EI2BA_MACFA Loading...

Translation initiation factor eIF2B subunit alpha

Acts as a component of the translation initiation factor 2B (eIF2B) complex, which catalyzes the exchange of GDP for GTP on eukaryotic initiation factor 2 (eIF2) gamma subunit. Its guanine nucleotide exchange factor activity is repressed when bound to eIF2 complex phosphorylated on the alpha subunit, thereby limiting the amount of methionyl-initiator methionine tRNA available to the ribosome and consequently global translation is repressed.

AlphaFold DB , UniProt , Accession Q4R4V8, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene EIF2B1, Length 305 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M82Confident89.2Confident45 Ų4570 Ų7022%0.22233%0.329CS..  0120.20-178.5-180-76.400105E5 L6 E32 F33M1-E5 WeakPolarHBondContact CA-OE2 3.41Å; M1-E5 HydrophobicContact CG-CB 3.64Å; M1-L6 HydrophobicContact CG-CB 4.38Å; M1-L6 HydrophobicContact SD-CB 4.15Å; M1-L6 HydrophobicContact SD-CD1 3.75Å; M1-E32 HydrophobicContact CE-CB 4.33Å; M1-E32 HydrophobicContact CE-CG 3.7Å; M1-F33 HydrophobicContact CB-CD2 3.96Å; M1-F33 HydrophobicContact CB-CE2 4.47Å; M1-F33 HydrophobicContact CG-CD2 4.39Å; M1-F33 HydrophobicContact SD-CB 4.32Å; M1-F33 HydrophobicContact SD-CD2 4.32Å
2D86.5Confident89.4Confident90 Ų9067.3 Ų67.348%0.48132%0.324SS..  trans-80.3172.3175.96632.9000111K4 E5 L6D2-K4 PolarHBondContact O-N 2.76Å; D2-K4 WeakPolarHBondContact OD1-CB 3.34Å; D2-K4 PolarHBondContact OD1-N 3.22Å; D2-E5 PolarHBondContact O-N 3.07Å; D2-E5 WeakPolarHBondContact OD1-CB 3.4Å; D2-E5 WeakPolarHBondContact OD1-CG 3.46Å; D2-E5 PolarHBondContact OD1-N 3.32Å; D2-L6 WeakPolarHBondContact O-CB 3.19Å; D2-L6 PolarHBondContact O-N 2.69Å
3D87Confident89.2Confident84 Ų8462.9 Ų62.945%0.44930%0.302SS..Hα-helixtrans-61.2-31.5-178.8-73.2-32.4000112.7L6 I7 T55D3-L6 PolarHBondContact O-N 2.74Å; D3-I7 WeakPolarHBondContact O-CD1 3.37Å; D3-I7 WeakPolarHBondContact O-CG1 3.31Å; D3-I7 PolarHBondContact O-N 2.8Å; D3-T55 HydrophobicContact CB-CG2 4.14Å; D3-T55 PolarHBondContact OD1-OG1 3.5Å
4K88.3Confident88.9Confident142 Ų14263.9 Ų63.962%0.61731%0.307SS*.Hα-helixtrans-71.7-47.1-179.1-172.6-177.3174-171.60110.6D2 L6 I7 E8D2-K4 PolarHBondContact O-N 2.76Å; D2-K4 WeakPolarHBondContact OD1-CB 3.34Å; D2-K4 PolarHBondContact OD1-N 3.22Å; K4-L6 VanDerWaalsContact C-N 3.29Å; K4-L6 PolarHBondContact O-N 3.25Å; K4-I7 PolarHBondContact O-N 2.98Å; K4-E8 VanDerWaalsContact CE-OE1 3.23Å; K4-E8 WeakPolarHBondContact CE-OE1 3.29Å; K4-E8 WeakPolarHBondContact O-CB 3.49Å; K4-E8 WeakPolarHBondContact O-CG 3.29Å; K4-E8 PolarHBondContact O-N 3.37Å
5E90.8Very high88.7Confident87 Ų8771.1 Ų71.141%0.40734%0.337SS..Hα-helixtrans-59.2-40.8173.6-72.9-178.2165.900111.3M1 D2 E8 Y9M1-E5 WeakPolarHBondContact CA-OE2 3.41Å; M1-E5 HydrophobicContact CG-CB 3.64Å; D2-E5 PolarHBondContact O-N 3.07Å; D2-E5 WeakPolarHBondContact OD1-CB 3.4Å; D2-E5 WeakPolarHBondContact OD1-CG 3.46Å; D2-E5 PolarHBondContact OD1-N 3.32Å; E5-E8 PolarHBondContact O-N 3.11Å; E5-Y9 VanDerWaalsContact O-CB 3.31Å; E5-Y9 WeakPolarHBondContact O-CB 3.18Å; E5-Y9 PolarHBondContact O-N 3.19Å
6L90.3Very high88.5Confident0 Ų075.1 Ų75.10%036%0.355CS..Hα-helixtrans-59.1-49.1177.1-171.981.8000111.2M1 D2 D3 K4 Y9 F10 T29 F33 A52 T55 L56M1-L6 HydrophobicContact CG-CB 4.38Å; M1-L6 HydrophobicContact SD-CB 4.15Å; M1-L6 HydrophobicContact SD-CD1 3.75Å; D2-L6 WeakPolarHBondContact O-CB 3.19Å; D2-L6 PolarHBondContact O-N 2.69Å; D3-L6 PolarHBondContact O-N 2.74Å; K4-L6 VanDerWaalsContact C-N 3.29Å; K4-L6 PolarHBondContact O-N 3.25Å; L6-Y9 PolarHBondContact O-N 2.75Å; L6-F10 WeakPolarHBondContact O-CB 3.23Å; L6-F10 PolarHBondContact O-N 3.12Å; L6-T29 HydrophobicContact CD1-CG2 3.46Å; L6-T29 VanDerWaalsContact CD1-CG2 3.46Å; L6-T29 HydrophobicContact CG-CG2 3.85Å; L6-T29 WeakPolarHBondContact O-CG2 3.47Å; L6-F33 HydrophobicContact CD1-CB 3.9Å; L6-F33 HydrophobicContact CD1-CD2 3.79Å; L6-F33 HydrophobicContact CD1-CG 4.15Å; L6-A52 HydrophobicContact CD1-CB 4.4Å; L6-A52 HydrophobicContact CD2-CB 3.77Å; L6-T55 HydrophobicContact CD2-CG2 4.03Å; L6-L56 HydrophobicContact CD2-CD2 4.3Å; L6-L56 HydrophobicContact CD2-CG 4.22Å; L6-L56 HydrophobicContact CG-CD2 4.25Å
7I91Very high88.2Confident43 Ų4374.4 Ų74.422%0.22135%0.354CS..Hα-helixtrans-65.6-42.5179.4-67.1168.7000111.1D3 K4 F10 K11 T55 V59D3-I7 WeakPolarHBondContact O-CD1 3.37Å; D3-I7 WeakPolarHBondContact O-CG1 3.31Å; D3-I7 PolarHBondContact O-N 2.8Å; K4-I7 PolarHBondContact O-N 2.98Å; I7-F10 PolarHBondContact O-N 3.1Å; I7-K11 HydrophobicContact CG2-CD 4Å; I7-K11 WeakPolarHBondContact O-CB 3.46Å; I7-K11 WeakPolarHBondContact O-CG 3.28Å; I7-K11 PolarHBondContact O-N 3.47Å; I7-T55 HydrophobicContact CD1-CG2 3.8Å; I7-T55 HydrophobicContact CG1-CG2 3.8Å; I7-V59 HydrophobicContact CB-CG2 4.42Å; I7-V59 HydrophobicContact CD1-CG2 4.05Å; I7-V59 HydrophobicContact CG1-CG2 3.79Å; I7-V59 HydrophobicContact CG2-CG2 3.88Å
8E92.1Very high87.5Confident111 Ų11175 Ų7552%0.51937%0.365SS..Hα-helixtrans-63.3-42.7178-76.7179.3-17300111.6K4 E5 K11 S12K4-E8 VanDerWaalsContact CE-OE1 3.23Å; K4-E8 WeakPolarHBondContact CE-OE1 3.29Å; K4-E8 WeakPolarHBondContact O-CB 3.49Å; K4-E8 WeakPolarHBondContact O-CG 3.29Å; K4-E8 PolarHBondContact O-N 3.37Å; E5-E8 PolarHBondContact O-N 3.11Å; E8-K11 PolarHBondContact O-N 3.45Å; E8-S12 PolarHBondContact O-N 3.48Å
9Y92.2Very high86.9Confident66 Ų6674.9 Ų74.926%0.25937%0.367SS..Hα-helixtrans-66.3-41.5176.7-169.2-92.9000112.1E5 L6 K11 S12 Q13 T29 E32E5-Y9 VanDerWaalsContact O-CB 3.31Å; E5-Y9 WeakPolarHBondContact O-CB 3.18Å; E5-Y9 PolarHBondContact O-N 3.19Å; L6-Y9 PolarHBondContact O-N 2.75Å; Y9-K11 PolarHBondContact O-N 3.5Å; Y9-S12 PolarHBondContact O-N 2.85Å; Y9-S12 PolarHBondContact O-OG 2.95Å; Y9-Q13 HydrophobicContact CD1-CG 4.18Å; Y9-Q13 HydrophobicContact CE1-CG 3.85Å; Y9-Q13 WeakPolarHBondContact O-CG 3.26Å; Y9-Q13 PolarHBondContact O-N 2.89Å; Y9-T29 HydrophobicContact CD1-CG2 4Å; Y9-E32 HydrophobicContact CE1-CB 4.01Å; Y9-E32 HydrophobicContact CE1-CG 4.34Å; Y9-E32 HydrophobicContact CE2-CG 4.36Å
10F91.2Very high86.7Confident1 Ų171.7 Ų71.70%0.00435%0.351CS..Hα-helixtrans-59.8-45.8173.4177.8-115.4000112.2L6 I7 S12 Q13 M14 A25 A26 T29 L56 V59 D60 V65L6-F10 WeakPolarHBondContact O-CB 3.23Å; L6-F10 PolarHBondContact O-N 3.12Å; I7-F10 PolarHBondContact O-N 3.1Å; F10-S12 VanDerWaalsContact C-N 3.34Å; F10-S12 PolarHBondContact O-N 3.28Å; F10-Q13 PolarHBondContact O-N 3.25Å; F10-M14 HydrophobicContact CD1-SD 4.36Å; F10-M14 HydrophobicContact CE1-SD 3.67Å; F10-M14 HydrophobicContact CE2-SD 4.23Å; F10-M14 HydrophobicContact CZ-CG 4.46Å; F10-M14 HydrophobicContact CZ-SD 3.59Å; F10-M14 VanDerWaalsContact CZ-SD 3.59Å; F10-M14 PolarHBondContact O-N 3.19Å; F10-A25 HydrophobicContact CD2-CB 3.98Å; F10-A25 HydrophobicContact CE2-CB 3.72Å; F10-A26 HydrophobicContact CD2-CB 4.36Å; F10-A26 HydrophobicContact CE2-CB 3.89Å; F10-T29 WeakPolarHBondContact CA-OG1 3.37Å; F10-T29 HydrophobicContact CB-CG2 4.18Å; F10-L56 HydrophobicContact CB-CD2 3.62Å; F10-L56 HydrophobicContact CD1-CD2 4.05Å; F10-L56 HydrophobicContact CD2-CD2 4.09Å; F10-L56 HydrophobicContact CG-CD2 3.66Å; F10-V59 HydrophobicContact CD1-CG1 4.19Å; F10-V59 HydrophobicContact CE1-CG1 4.2Å; F10-D60 HydrophobicContact CE1-CB 4.01Å; F10-D60 HydrophobicContact CZ-CB 4.13Å; F10-V65 HydrophobicContact CZ-CG2 4.32Å
11K89.8Confident86.6Confident101 Ų10168.8 Ų68.844%0.43934%0.338SS..Hα-helixtrans-65.4-34.5177.3-73.7175.6179.41770112.6I7 E8 Y9 K15I7-K11 HydrophobicContact CG2-CD 4Å; I7-K11 WeakPolarHBondContact O-CB 3.46Å; I7-K11 WeakPolarHBondContact O-CG 3.28Å; I7-K11 PolarHBondContact O-N 3.47Å; E8-K11 PolarHBondContact O-N 3.45Å; Y9-K11 PolarHBondContact O-N 3.5Å; K11-K15 WeakPolarHBondContact O-CG 3.19Å; K11-K15 PolarHBondContact O-N 3.31Å
12S91.3Very high86.8Confident38 Ų3867.8 Ų67.827%0.26634%0.336SS..Hα-helixtrans-67.5-44176.472.10000111.1E8 Y9 F10 M14 K15 E16E8-S12 PolarHBondContact O-N 3.48Å; Y9-S12 PolarHBondContact O-N 2.85Å; Y9-S12 PolarHBondContact O-OG 2.95Å; F10-S12 VanDerWaalsContact C-N 3.34Å; F10-S12 PolarHBondContact O-N 3.28Å; S12-M14 VanDerWaalsContact C-N 3.3Å; S12-M14 PolarHBondContact O-N 3.14Å; S12-K15 PolarHBondContact O-N 3.29Å; S12-E16 WeakPolarHBondContact O-CG 3.42Å; S12-E16 PolarHBondContact O-N 3.16Å
13Q87.9Confident86.9Confident10 Ų1063.5 Ų63.55%0.04731%0.313CS..Hα-helixtrans-57.7-41.3176.4-70.7-57-73.900112.4Y9 F10 K15 E16 D17 A25 R28Y9-Q13 HydrophobicContact CD1-CG 4.18Å; Y9-Q13 HydrophobicContact CE1-CG 3.85Å; Y9-Q13 WeakPolarHBondContact O-CG 3.26Å; Y9-Q13 PolarHBondContact O-N 2.89Å; F10-Q13 PolarHBondContact O-N 3.25Å; Q13-K15 VanDerWaalsContact C-N 3.34Å; Q13-K15 PolarHBondContact O-N 3.05Å; Q13-E16 PolarHBondContact NE2-OE2 3.46Å; Q13-D17 PolarHBondContact O-N 3.48Å; Q13-A25 HydrophobicContact CB-CB 4.04Å; Q13-R28 VanDerWaalsContact OE1-NH1 3.11Å
14M84.4Confident87Confident76 Ų7660 Ų6037%0.37430%0.295SS..Hα-helixtrans-69.1-28.8176-75.6-177.54400114.3F10 S12 A25F10-M14 HydrophobicContact CD1-SD 4.36Å; F10-M14 HydrophobicContact CE1-SD 3.67Å; F10-M14 HydrophobicContact CE2-SD 4.23Å; F10-M14 HydrophobicContact CZ-CG 4.46Å; F10-M14 HydrophobicContact CZ-SD 3.59Å; F10-M14 VanDerWaalsContact CZ-SD 3.59Å; F10-M14 PolarHBondContact O-N 3.19Å; S12-M14 VanDerWaalsContact C-N 3.3Å; S12-M14 PolarHBondContact O-N 3.14Å; M14-A25 HydrophobicContact CG-CB 3.99Å
15K86.1Confident87.2Confident172 Ų17253.2 Ų53.275%0.74827%0.265SS*.Hα-helixtrans-78.8-36.9178-76.4176-179.7-178.20112.2K11 S12 Q13 D17K11-K15 WeakPolarHBondContact O-CG 3.19Å; K11-K15 PolarHBondContact O-N 3.31Å; S12-K15 PolarHBondContact O-N 3.29Å; Q13-K15 VanDerWaalsContact C-N 3.34Å; Q13-K15 PolarHBondContact O-N 3.05Å; K15-D17 VanDerWaalsContact C-N 3.33Å
16E85.8Confident87.3Confident135 Ų13549.1 Ų49.163%0.63125%0.246SC*.Hα-helixtrans-63.3-38.9180-77173.3-174.700112.1S12 Q13S12-E16 WeakPolarHBondContact O-CG 3.42Å; S12-E16 PolarHBondContact O-N 3.16Å; Q13-E16 PolarHBondContact NE2-OE2 3.46Å
17D83.2Confident87.4Confident63 Ų6349.1 Ų49.134%0.33725%0.246SC..  trans-133.996.5178.4178.73.4000110.6Q13 K15 D19 M20Q13-D17 PolarHBondContact O-N 3.48Å; K15-D17 VanDerWaalsContact C-N 3.33Å; D17-D19 PolarHBondContact O-N 2.78Å; D17-D19 VanDerWaalsContact O-N 3.08Å; D17-D19 WeakPolarHBondContact OD1-CA 3.39Å; D17-D19 WeakPolarHBondContact OD1-CB 3.43Å; D17-D19 PolarHBondContact OD1-N 2.98Å; D17-M20 HydrophobicContact CB-CB 3.92Å; D17-M20 HydrophobicContact CB-CE 3.96Å; D17-M20 WeakPolarHBondContact O-CB 3.34Å; D17-M20 PolarHBondContact O-N 3.04Å; D17-M20 PolarHBondContact OD1-N 3.36Å
18P74.8Confident87.5Confident86 Ų8651.1 Ų51.156%0.55825%0.251SS*.THydrogen-bonded Turntrans-60.8-14.5176.5-2434.3000114.6R132P18-R132 PolarHBondContact O-NH2 3.35Å
19D76.2Confident87.6Confident74 Ų7445.9 Ų45.940%0.39623%0.226SC..THydrogen-bonded Turntrans-98.4-2.2177.2-71-37.9000113.2D17 R108 R132D17-D19 PolarHBondContact O-N 2.78Å; D17-D19 VanDerWaalsContact O-N 3.08Å; D17-D19 WeakPolarHBondContact OD1-CA 3.39Å; D17-D19 WeakPolarHBondContact OD1-CB 3.43Å; D17-D19 PolarHBondContact OD1-N 2.98Å; D19-R108 PolarHBondContact O-NH1 3.48Å; D19-R108 PolarHBondContact O-NH2 3.25Å; D19-R132 WeakPolarHBondContact O-CD 3.49Å
20M83.5Confident87.7Confident10 Ų1042.8 Ų42.85%0.04921%0.214CC..SBendtrans-67.2131.6172.6-166.9174.3-67.300111D17 V24 A25 R132D17-M20 HydrophobicContact CB-CB 3.92Å; D17-M20 HydrophobicContact CB-CE 3.96Å; D17-M20 WeakPolarHBondContact O-CB 3.34Å; D17-M20 PolarHBondContact O-N 3.04Å; D17-M20 PolarHBondContact OD1-N 3.36Å; M20-V24 HydrophobicContact CG-CB 3.9Å; M20-V24 HydrophobicContact CG-CG1 3.87Å; M20-V24 HydrophobicContact SD-CB 4.46Å; M20-V24 HydrophobicContact SD-CG1 4.02Å; M20-A25 HydrophobicContact CG-CB 4.5Å; M20-A25 HydrophobicContact SD-CB 3.95Å; M20-R132 PolarHBondContact O-NH1 3.02Å; M20-R132 PolarHBondContact O-NH2 3.11Å
21A83.9Confident87.8Confident10 Ų1043.1 Ų43.18%0.08322%0.216CC..  trans-65.9140.1172.300000110.9A23 V24 A25A21-A23 PolarHBondContact O-N 2.7Å; A21-V24 HydrophobicContact CB-CB 4.39Å; A21-V24 HydrophobicContact CB-CG2 3.95Å; A21-V24 WeakPolarHBondContact O-CA 3.38Å; A21-V24 WeakPolarHBondContact O-CB 3.36Å; A21-V24 PolarHBondContact O-N 3.42Å; A21-A25 PolarHBondContact O-N 2.7Å
22S87.2Confident88Confident25 Ų2540.2 Ų40.218%0.17520%0.204CC..Hα-helixtrans-55.5-38178.6-600000112.1V24 A25 A26 D60S22-V24 PolarHBondContact O-N 3.23Å; S22-A25 PolarHBondContact O-N 2.71Å; S22-A26 WeakPolarHBondContact O-CB 3.39Å; S22-A26 PolarHBondContact O-N 3.27Å; S22-D60 VanDerWaalsContact CB-OD2 3.24Å; S22-D60 WeakPolarHBondContact CB-OD2 3.46Å; S22-D60 PolarHBondContact OG-OD2 2.96Å
23A87.7Confident88Confident0 Ų039.2 Ų39.20%020%0.195CC..Hα-helixtrans-60.3-41.3173.700000113A21 A26 I27 A64 F233A21-A23 PolarHBondContact O-N 2.7Å; A23-A26 PolarHBondContact O-N 3.48Å; A23-I27 WeakPolarHBondContact O-CB 3.45Å; A23-I27 VanDerWaalsContact O-CD1 3.3Å; A23-I27 WeakPolarHBondContact O-CD1 3.49Å; A23-I27 WeakPolarHBondContact O-CG1 3.37Å; A23-I27 PolarHBondContact O-N 2.86Å; A23-A64 HydrophobicContact CB-CB 4.08Å; A23-A64 WeakPolarHBondContact CB-O 3.49Å; A23-F233 HydrophobicContact CB-CD2 3.58Å; A23-F233 HydrophobicContact CB-CE2 3.34Å; A23-F233 HydrophobicContact CB-CZ 4.1Å
24V89.9Confident88.2Confident10 Ų1038.7 Ų38.76%0.06119%0.193CC..Hα-helixtrans-66.1-43.3178.7176.70000110.2M20 A21 S22 I27 R28 L101 I104M20-V24 HydrophobicContact CG-CB 3.9Å; M20-V24 HydrophobicContact CG-CG1 3.87Å; M20-V24 HydrophobicContact SD-CB 4.46Å; M20-V24 HydrophobicContact SD-CG1 4.02Å; A21-V24 HydrophobicContact CB-CB 4.39Å; A21-V24 HydrophobicContact CB-CG2 3.95Å; A21-V24 WeakPolarHBondContact O-CA 3.38Å; A21-V24 WeakPolarHBondContact O-CB 3.36Å; A21-V24 PolarHBondContact O-N 3.42Å; S22-V24 PolarHBondContact O-N 3.23Å; V24-I27 PolarHBondContact O-N 3.26Å; V24-R28 WeakPolarHBondContact O-CG 3.46Å; V24-R28 PolarHBondContact O-N 3.08Å; V24-L101 HydrophobicContact CG1-CD1 3.91Å; V24-I104 HydrophobicContact CB-CD1 4.45Å; V24-I104 HydrophobicContact CG2-CD1 3.95Å; V24-I104 HydrophobicContact CG2-CG1 4.07Å
25A91.6Very high88.5Confident0 Ų038.9 Ų38.90%019%0.191CC..Hα-helixtrans-60.5-47.417400000111.1F10 Q13 M14 M20 A21 S22 I27 R28 T29F10-A25 HydrophobicContact CD2-CB 3.98Å; F10-A25 HydrophobicContact CE2-CB 3.72Å; Q13-A25 HydrophobicContact CB-CB 4.04Å; M14-A25 HydrophobicContact CG-CB 3.99Å; M20-A25 HydrophobicContact CG-CB 4.5Å; M20-A25 HydrophobicContact SD-CB 3.95Å; A21-A25 PolarHBondContact O-N 2.7Å; S22-A25 PolarHBondContact O-N 2.71Å; A25-I27 VanDerWaalsContact C-N 3.33Å; A25-I27 PolarHBondContact O-N 3.32Å; A25-R28 PolarHBondContact O-N 3.44Å; A25-T29 PolarHBondContact O-N 3.44Å; A25-T29 PolarHBondContact O-OG1 2.97Å
26A92.7Very high88.7Confident0 Ų036.5 Ų36.50%018%0.177CC..Hα-helixtrans-59.9-43.3178.900000111.6F10 S22 A23 T29 L30 L56 V65F10-A26 HydrophobicContact CD2-CB 4.36Å; F10-A26 HydrophobicContact CE2-CB 3.89Å; S22-A26 WeakPolarHBondContact O-CB 3.39Å; S22-A26 PolarHBondContact O-N 3.27Å; A23-A26 PolarHBondContact O-N 3.48Å; A26-T29 WeakPolarHBondContact O-CB 3.32Å; A26-T29 PolarHBondContact O-N 3.23Å; A26-L30 VanDerWaalsContact O-CG 3.27Å; A26-L30 WeakPolarHBondContact O-CG 3.3Å; A26-L30 PolarHBondContact O-N 3.31Å; A26-L56 HydrophobicContact CB-CD1 4.02Å; A26-V65 HydrophobicContact CB-CG1 4.06Å; A26-V65 HydrophobicContact CB-CG2 4.3Å
27I92.7Very high88.8Confident0 Ų030.8 Ų30.80%015%0.151CC..Hα-helixtrans-69.6-36.6-179.3-70.5161.5000111.6A23 V24 A25 T29 L30 L31 F72 F100 L101 I104A23-I27 WeakPolarHBondContact O-CB 3.45Å; A23-I27 VanDerWaalsContact O-CD1 3.3Å; A23-I27 WeakPolarHBondContact O-CD1 3.49Å; A23-I27 WeakPolarHBondContact O-CG1 3.37Å; A23-I27 PolarHBondContact O-N 2.86Å; V24-I27 PolarHBondContact O-N 3.26Å; A25-I27 VanDerWaalsContact C-N 3.33Å; A25-I27 PolarHBondContact O-N 3.32Å; I27-T29 VanDerWaalsContact C-N 3.33Å; I27-L30 PolarHBondContact O-N 3.07Å; I27-L31 VanDerWaalsContact O-CB 3.26Å; I27-L31 WeakPolarHBondContact O-CB 3.46Å; I27-L31 PolarHBondContact O-N 3.21Å; I27-F72 HydrophobicContact CG1-CB 4.17Å; I27-F72 HydrophobicContact CG1-CG 4.47Å; I27-F72 HydrophobicContact CG2-CD2 3.73Å; I27-F72 HydrophobicContact CG2-CE2 4.02Å; I27-F72 HydrophobicContact CG2-CG 4.37Å; I27-F100 HydrophobicContact CD1-CD1 4.09Å; I27-F100 HydrophobicContact CD1-CE1 3.57Å; I27-F100 HydrophobicContact CG1-CE1 4.42Å; I27-F100 HydrophobicContact CG2-CD1 4.19Å; I27-L101 HydrophobicContact CG2-CB 4.22Å; I27-L101 HydrophobicContact CG2-CD1 4.14Å; I27-I104 HydrophobicContact CB-CD1 3.99Å; I27-I104 HydrophobicContact CD1-CD1 3.26Å; I27-I104 HydrophobicContact CG1-CD1 4.2Å; I27-I104 HydrophobicContact CG2-CD1 3.98Å
28R93.3Very high88.8Confident86 Ų8637 Ų3733%0.32518%0.175SC..Hα-helixtrans-60.6-44.7170.2-74.5179.2178.4-158.21.6111.3Q13 V24 A25 L31 E32 L101Q13-R28 VanDerWaalsContact OE1-NH1 3.11Å; V24-R28 WeakPolarHBondContact O-CG 3.46Å; V24-R28 PolarHBondContact O-N 3.08Å; A25-R28 PolarHBondContact O-N 3.44Å; R28-L31 PolarHBondContact O-N 3.08Å; R28-E32 PolarHBondContact O-N 3.4Å; R28-L101 HydrophobicContact CG-CD1 3.74Å; R28-L101 HydrophobicContact CG-CD2 3.68Å; R28-L101 HydrophobicContact CG-CG 4.37Å
29T94.1Very high89Confident0 Ų033.9 Ų33.90%016%0.159CC..Hα-helixtrans-62.2-45.8177.1-56.50000111.9L6 Y9 F10 A25 A26 I27 L31 E32 F33 L56L6-T29 HydrophobicContact CD1-CG2 3.46Å; L6-T29 VanDerWaalsContact CD1-CG2 3.46Å; L6-T29 HydrophobicContact CG-CG2 3.85Å; L6-T29 WeakPolarHBondContact O-CG2 3.47Å; Y9-T29 HydrophobicContact CD1-CG2 4Å; F10-T29 WeakPolarHBondContact CA-OG1 3.37Å; F10-T29 HydrophobicContact CB-CG2 4.18Å; A25-T29 PolarHBondContact O-N 3.44Å; A25-T29 PolarHBondContact O-OG1 2.97Å; A26-T29 WeakPolarHBondContact O-CB 3.32Å; A26-T29 PolarHBondContact O-N 3.23Å; I27-T29 VanDerWaalsContact C-N 3.33Å; T29-L31 VanDerWaalsContact C-N 3.33Å; T29-L31 PolarHBondContact O-N 3.15Å; T29-E32 PolarHBondContact O-N 2.9Å; T29-F33 WeakPolarHBondContact O-CB 3.44Å; T29-F33 PolarHBondContact O-N 3.2Å; T29-L56 HydrophobicContact CG2-CD1 4.43Å; T29-L56 HydrophobicContact CG2-CD2 4.23Å
30L93.8Very high89.3Confident1 Ų138.4 Ų38.41%0.00518%0.178CC..Hα-helixtrans-65.6-35.2177.4-68.3169.7000112.4A26 I27 F33 L34 L49 A52 I53 L56 F72A26-L30 VanDerWaalsContact O-CG 3.27Å; A26-L30 WeakPolarHBondContact O-CG 3.3Å; A26-L30 PolarHBondContact O-N 3.31Å; I27-L30 PolarHBondContact O-N 3.07Å; L30-F33 PolarHBondContact O-N 3.37Å; L30-L34 VanDerWaalsContact O-CB 3.32Å; L30-L34 WeakPolarHBondContact O-CB 3.34Å; L30-L34 PolarHBondContact O-N 3.49Å; L30-L49 HydrophobicContact CD2-CD2 4.34Å; L30-A52 HydrophobicContact CD2-CB 3.77Å; L30-I53 HydrophobicContact CD1-CD1 4.38Å; L30-I53 HydrophobicContact CD1-CG1 3.69Å; L30-I53 HydrophobicContact CD2-CG1 3.83Å; L30-I53 HydrophobicContact CG-CG1 4.42Å; L30-L56 HydrophobicContact CD1-CD1 4.48Å; L30-L56 HydrophobicContact CD2-CD1 4.03Å; L30-L56 HydrophobicContact CG-CD1 3.96Å; L30-F72 HydrophobicContact CB-CD1 3.97Å; L30-F72 HydrophobicContact CB-CE1 3.65Å; L30-F72 HydrophobicContact CB-CZ 4.34Å; L30-F72 HydrophobicContact CD1-CD1 4Å
31L93.4Very high89.3Confident8 Ų841.7 Ų41.74%0.04220%0.199CC..Hα-helixtrans-67.3-40.8174.7-176.564.4000111.5I27 R28 T29 L34 K35 F72 I94 E98 L101I27-L31 VanDerWaalsContact O-CB 3.26Å; I27-L31 WeakPolarHBondContact O-CB 3.46Å; I27-L31 PolarHBondContact O-N 3.21Å; R28-L31 PolarHBondContact O-N 3.08Å; T29-L31 VanDerWaalsContact C-N 3.33Å; T29-L31 PolarHBondContact O-N 3.15Å; L31-L34 HydrophobicContact CD1-CD2 4.39Å; L31-L34 PolarHBondContact O-N 3.13Å; L31-K35 WeakPolarHBondContact O-CG 3.3Å; L31-K35 PolarHBondContact O-N 2.94Å; L31-F72 HydrophobicContact CB-CZ 4.33Å; L31-F72 HydrophobicContact CD1-CZ 4.41Å; L31-I94 HydrophobicContact CD1-CG2 4.35Å; L31-E98 HydrophobicContact CD1-CG 4.44Å; L31-E98 HydrophobicContact CD2-CG 3.65Å; L31-L101 HydrophobicContact CD2-CD2 4.15Å
32E93.7Very high89.2Confident40 Ų4043.5 Ų43.519%0.18721%0.206CC..Hα-helixtrans-67.9-39.4175.1-171.860.3-162.600111.6M1 Y9 R28 T29 K35 R36M1-E32 HydrophobicContact CE-CB 4.33Å; M1-E32 HydrophobicContact CE-CG 3.7Å; Y9-E32 HydrophobicContact CE1-CB 4.01Å; Y9-E32 HydrophobicContact CE1-CG 4.34Å; Y9-E32 HydrophobicContact CE2-CG 4.36Å; R28-E32 PolarHBondContact O-N 3.4Å; T29-E32 PolarHBondContact O-N 2.9Å; E32-K35 PolarHBondContact O-N 3.01Å; E32-R36 WeakPolarHBondContact O-CG 3.32Å; E32-R36 PolarHBondContact O-N 3.37Å; E32-R36 VanDerWaalsContact O-N 3.09Å; E32-R36 IonicContact OE1-CZ 3.15Å; E32-R36 IonicContact OE1-NE 2.74Å; E32-R36 PolarHBondContact OE1-NE 3.35Å; E32-R36 IonicContact OE1-NH2 2.77Å; E32-R36 PolarHBondContact OE1-NH2 3.02Å
33F93Very high89Confident17 Ų1750.1 Ų50.18%0.07523%0.234CC..Hα-helixtrans-57.7-50171-179.3-88.6000111.1M1 L6 T29 L30 K35 R36 D37 N48 L49 A52M1-F33 HydrophobicContact CB-CD2 3.96Å; M1-F33 HydrophobicContact CB-CE2 4.47Å; M1-F33 HydrophobicContact CG-CD2 4.39Å; M1-F33 HydrophobicContact SD-CB 4.32Å; M1-F33 HydrophobicContact SD-CD2 4.32Å; L6-F33 HydrophobicContact CD1-CB 3.9Å; L6-F33 HydrophobicContact CD1-CD2 3.79Å; L6-F33 HydrophobicContact CD1-CG 4.15Å; T29-F33 WeakPolarHBondContact O-CB 3.44Å; T29-F33 PolarHBondContact O-N 3.2Å; L30-F33 PolarHBondContact O-N 3.37Å; F33-K35 VanDerWaalsContact C-N 3.3Å; F33-K35 PolarHBondContact O-N 3.42Å; F33-R36 CarbonylContact O-C 3.57Å; F33-R36 PolarHBondContact O-N 2.95Å; F33-R36 VanDerWaalsContact O-N 3.11Å; F33-D37 HydrophobicContact CE1-CB 4.43Å; F33-D37 WeakPolarHBondContact O-CB 3.23Å; F33-D37 PolarHBondContact O-N 3.46Å; F33-N48 HydrophobicContact CE1-CB 3.9Å; F33-N48 HydrophobicContact CZ-CB 3.97Å; F33-L49 HydrophobicContact CD1-CD2 3.71Å; F33-L49 HydrophobicContact CD1-CG 4.36Å; F33-L49 HydrophobicContact CE1-CD2 4.24Å; F33-L49 HydrophobicContact CE1-CG 4.44Å; F33-A52 HydrophobicContact CD1-CB 4.42Å; F33-A52 HydrophobicContact CD2-CB 4.47Å; F33-A52 HydrophobicContact CE1-CB 4.41Å; F33-A52 HydrophobicContact CE2-CB 4.45Å; F33-A52 HydrophobicContact CG-CB 4.44Å; F33-A52 HydrophobicContact CZ-CB 4.42Å
34L91Very high88.9Confident0 Ų051.2 Ų51.20%025%0.246CC..Hα-helixtrans-56.9-41.4176.7172.862.4000112.2L30 L31 R36 L45 L49 I76 K90 M93 I94L30-L34 VanDerWaalsContact O-CB 3.32Å; L30-L34 WeakPolarHBondContact O-CB 3.34Å; L30-L34 PolarHBondContact O-N 3.49Å; L31-L34 HydrophobicContact CD1-CD2 4.39Å; L31-L34 PolarHBondContact O-N 3.13Å; L34-R36 VanDerWaalsContact C-N 3.35Å; L34-R36 PolarHBondContact O-N 3.13Å; L34-L45 HydrophobicContact CD1-CD1 3.71Å; L34-L45 HydrophobicContact CD1-CD2 3.66Å; L34-L45 HydrophobicContact CD1-CG 4.14Å; L34-L49 HydrophobicContact CB-CD2 4.47Å; L34-L49 HydrophobicContact CD1-CD1 4.45Å; L34-I76 HydrophobicContact CD2-CD1 4.08Å; L34-K90 WeakPolarHBondContact O-CE 3.43Å; L34-K90 PolarHBondContact O-NZ 3.19Å; L34-M93 HydrophobicContact CD1-CE 4.41Å; L34-M93 HydrophobicContact CD2-CB 4.08Å; L34-I94 HydrophobicContact CD2-CG1 3.87Å; L34-I94 HydrophobicContact CG-CG1 3.91Å
35K91.2Very high88.8Confident80 Ų8050.8 Ų50.835%0.34824%0.243SC..Hα-helixtrans-61.2-44176.7-74.7172.4180-175.20111.2L31 E32 F33 K90 I94 E98L31-K35 WeakPolarHBondContact O-CG 3.3Å; L31-K35 PolarHBondContact O-N 2.94Å; E32-K35 PolarHBondContact O-N 3.01Å; F33-K35 VanDerWaalsContact C-N 3.3Å; F33-K35 PolarHBondContact O-N 3.42Å; K35-K90 PolarHBondContact O-NZ 3.3Å; K35-I94 HydrophobicContact CG-CD1 4.03Å; K35-I94 HydrophobicContact CG-CG1 4.22Å; K35-I94 HydrophobicContact CG-CG2 4.3Å; K35-E98 IonicContact NZ-OE1 3.93Å; K35-E98 PolarHBondContact NZ-OE1 3.3Å
36R90.9Very high88.5Confident121 Ų12156.1 Ų56.146%0.45726%0.264SS..Hα-helixtrans-87-12.5-176.1-62.2-173.2-167.5-1770.7115.3E32 F33 L34 K38E32-R36 WeakPolarHBondContact O-CG 3.32Å; E32-R36 PolarHBondContact O-N 3.37Å; E32-R36 VanDerWaalsContact O-N 3.09Å; E32-R36 IonicContact OE1-CZ 3.15Å; E32-R36 IonicContact OE1-NE 2.74Å; E32-R36 PolarHBondContact OE1-NE 3.35Å; E32-R36 IonicContact OE1-NH2 2.77Å; E32-R36 PolarHBondContact OE1-NH2 3.02Å; F33-R36 CarbonylContact O-C 3.57Å; F33-R36 PolarHBondContact O-N 2.95Å; F33-R36 VanDerWaalsContact O-N 3.11Å; L34-R36 VanDerWaalsContact C-N 3.35Å; L34-R36 PolarHBondContact O-N 3.13Å; R36-K38 PolarHBondContact O-N 3.46Å
37D87.4Confident88.4Confident15 Ų1559 Ų598%0.0829%0.287CS..  trans-60.4134.2-179.3-177.678.2000110.8F33 G39 L45 N48 K90F33-D37 HydrophobicContact CE1-CB 4.43Å; F33-D37 WeakPolarHBondContact O-CB 3.23Å; F33-D37 PolarHBondContact O-N 3.46Å; D37-G39 WeakPolarHBondContact OD2-CA 3.31Å; D37-G39 PolarHBondContact OD2-N 2.97Å; D37-L45 HydrophobicContact CB-CD1 3.96Å; D37-L45 WeakPolarHBondContact OD2-CD1 3.4Å; D37-N48 PolarHBondContact OD1-ND2 2.84Å; D37-K90 PolarHBondContact O-NZ 2.84Å
38K83.4Confident88.3Confident194 Ų19462 Ų6284%0.84330%0.303SS*.  trans-104.211.3-178.3-62.8-176.3-179.3178.60112.5R36R36-K38 PolarHBondContact O-N 3.46Å
39G79.4Confident88.2Confident21 Ų2158 Ų5822%0.21629%0.288CS..  trans-59.1154.1176.700000111.3D37 Y86D37-G39 WeakPolarHBondContact OD2-CA 3.31Å; D37-G39 PolarHBondContact OD2-N 2.97Å; G39-Y86 WeakPolarHBondContact O-CE1 3.35Å; G39-Y86 PolarHBondContact O-OH 3.46Å
40E80.7Confident88.1Confident168 Ų16860.6 Ų60.679%0.78530%0.304SS*.SBendtrans-111.3-6.6-178.4-61.3-176.8165.500112.5
41T84.1Confident88.1Confident80 Ų8063.2 Ų63.249%0.49132%0.323SS..SBendtrans-128.7147.3-177.569.30000111.2Q43 G44 L45T41-Q43 VanDerWaalsContact C-N 3.29Å; T41-Q43 PolarHBondContact O-N 2.81Å; T41-G44 PolarHBondContact O-N 2.83Å; T41-G44 PolarHBondContact OG1-N 2.8Å; T41-L45 WeakPolarHBondContact O-CB 3.45Å; T41-L45 PolarHBondContact O-N 2.98Å
42I82Confident88Confident47 Ų4762.9 Ų62.924%0.24132%0.321CS..Hα-helixtrans-62.9-39.2176.3-65.1161000110.5L45 R46 Y86 C89I42-L45 PolarHBondContact O-N 3.13Å; I42-R46 HydrophobicContact CG2-CG 4.49Å; I42-R46 VanDerWaalsContact O-CG 3.31Å; I42-R46 WeakPolarHBondContact O-CG 3.34Å; I42-R46 PolarHBondContact O-N 2.79Å; I42-Y86 HydrophobicContact CG1-CD2 4.13Å; I42-C89 HydrophobicContact CD1-CB 4.38Å
43Q83.8Confident88Confident164 Ų16461.8 Ų61.877%0.76632%0.316SS*.Hα-helixtrans-65.9-43.8179-172.2174.26.700111.6T41 R46 A47T41-Q43 VanDerWaalsContact C-N 3.29Å; T41-Q43 PolarHBondContact O-N 2.81Å; Q43-R46 PolarHBondContact O-N 2.93Å; Q43-A47 PolarHBondContact O-N 2.7Å
44G85.9Confident87.9Confident24 Ų2467.2 Ų67.225%0.24734%0.342CS..Hα-helixtrans-61.3-44.8173.900000111.9T41 R46 A47 N48T41-G44 PolarHBondContact O-N 2.83Å; T41-G44 PolarHBondContact OG1-N 2.8Å; G44-R46 VanDerWaalsContact C-N 3.34Å; G44-R46 PolarHBondContact O-N 2.94Å; G44-A47 PolarHBondContact O-N 3.02Å; G44-N48 WeakPolarHBondContact O-CB 3.44Å; G44-N48 PolarHBondContact O-N 2.83Å; G44-N48 PolarHBondContact O-OD1 2.94Å
45L86.4Confident88Confident0 Ų068.6 Ų68.60%035%0.35CS..Hα-helixtrans-60.9-41.1176.7177.861.5000112.5L34 D37 T41 I42 N48 L49 Y86 M93L34-L45 HydrophobicContact CD1-CD1 3.71Å; L34-L45 HydrophobicContact CD1-CD2 3.66Å; L34-L45 HydrophobicContact CD1-CG 4.14Å; D37-L45 HydrophobicContact CB-CD1 3.96Å; D37-L45 WeakPolarHBondContact OD2-CD1 3.4Å; T41-L45 WeakPolarHBondContact O-CB 3.45Å; T41-L45 PolarHBondContact O-N 2.98Å; I42-L45 PolarHBondContact O-N 3.13Å; L45-N48 PolarHBondContact O-N 3.06Å; L45-L49 HydrophobicContact CD1-CD1 4.15Å; L45-L49 HydrophobicContact CD1-CG 4.31Å; L45-L49 HydrophobicContact CG-CD1 4.13Å; L45-L49 WeakPolarHBondContact O-CB 3.36Å; L45-L49 WeakPolarHBondContact O-CG 3.22Å; L45-L49 PolarHBondContact O-N 2.88Å; L45-Y86 HydrophobicContact CD2-CE2 4.5Å; L45-M93 HydrophobicContact CD2-CE 3.58Å; L45-M93 HydrophobicContact CD2-SD 3.72Å; L45-M93 HydrophobicContact CG-CE 4.3Å
46R86.9Confident88Confident113 Ų11364.8 Ų64.843%0.42633%0.334SS..Hα-helixtrans-64.4-42.6175.7-74.3177.171.3145.24.2111.9I42 Q43 G44 L49 T50 L73I42-R46 HydrophobicContact CG2-CG 4.49Å; I42-R46 VanDerWaalsContact O-CG 3.31Å; I42-R46 WeakPolarHBondContact O-CG 3.34Å; I42-R46 PolarHBondContact O-N 2.79Å; Q43-R46 PolarHBondContact O-N 2.93Å; G44-R46 VanDerWaalsContact C-N 3.34Å; G44-R46 PolarHBondContact O-N 2.94Å; R46-L49 PolarHBondContact O-N 2.92Å; R46-T50 WeakPolarHBondContact O-CB 3.23Å; R46-T50 PolarHBondContact O-N 3.42Å; R46-T50 PolarHBondContact O-OG1 2.96Å; R46-L73 HydrophobicContact CG-CD1 4.35Å
47A89.3Confident87.9Confident59 Ų5960.7 Ų60.749%0.48832%0.323SS..Hα-helixtrans-62.6-46.1176.100000111.1Q43 G44 L49 T50 S51Q43-A47 PolarHBondContact O-N 2.7Å; G44-A47 PolarHBondContact O-N 3.02Å; A47-L49 PolarHBondContact O-N 2.88Å; A47-T50 PolarHBondContact O-N 3.31Å; A47-S51 PolarHBondContact O-N 3.32Å
48N90.8Very high87.9Confident64 Ų6461.4 Ų61.434%0.34233%0.334SS..Hα-helixtrans-59.9-45.1177.2-69.8-2.8000112F33 D37 G44 L45 S51 A52F33-N48 HydrophobicContact CE1-CB 3.9Å; F33-N48 HydrophobicContact CZ-CB 3.97Å; D37-N48 PolarHBondContact OD1-ND2 2.84Å; G44-N48 WeakPolarHBondContact O-CB 3.44Å; G44-N48 PolarHBondContact O-N 2.83Å; G44-N48 PolarHBondContact O-OD1 2.94Å; L45-N48 PolarHBondContact O-N 3.06Å; N48-S51 PolarHBondContact O-N 3.09Å; N48-A52 WeakPolarHBondContact O-CB 3.34Å; N48-A52 PolarHBondContact O-N 3.31Å
49L91Very high87.9Confident1 Ų154.4 Ų54.41%0.00531%0.308CS..Hα-helixtrans-66.7-36.9176.7-78.2168.6000112.7L30 F33 L34 L45 R46 A47 A52 I53 L73 I76L30-L49 HydrophobicContact CD2-CD2 4.34Å; F33-L49 HydrophobicContact CD1-CD2 3.71Å; F33-L49 HydrophobicContact CD1-CG 4.36Å; F33-L49 HydrophobicContact CE1-CD2 4.24Å; F33-L49 HydrophobicContact CE1-CG 4.44Å; L34-L49 HydrophobicContact CB-CD2 4.47Å; L34-L49 HydrophobicContact CD1-CD1 4.45Å; L45-L49 HydrophobicContact CD1-CD1 4.15Å; L45-L49 HydrophobicContact CD1-CG 4.31Å; L45-L49 HydrophobicContact CG-CD1 4.13Å; L45-L49 WeakPolarHBondContact O-CB 3.36Å; L45-L49 WeakPolarHBondContact O-CG 3.22Å; L45-L49 PolarHBondContact O-N 2.88Å; R46-L49 PolarHBondContact O-N 2.92Å; A47-L49 PolarHBondContact O-N 2.88Å; L49-A52 PolarHBondContact O-N 3.11Å; L49-I53 WeakPolarHBondContact O-CD1 3.48Å; L49-I53 VanDerWaalsContact O-CG1 3.25Å; L49-I53 WeakPolarHBondContact O-CG1 3.46Å; L49-I53 PolarHBondContact O-N 2.9Å; L49-L73 HydrophobicContact CB-CD1 3.85Å; L49-L73 HydrophobicContact CD1-CD1 3.81Å; L49-I76 HydrophobicContact CD1-CD1 3.82Å
50T92.3Very high88.2Confident56 Ų5654.9 Ų54.934%0.34431%0.305SS..Hα-helixtrans-63.6-46.6175.5-54.30000110.2R46 A47 A52 I53 E54 L73R46-T50 WeakPolarHBondContact O-CB 3.23Å; R46-T50 PolarHBondContact O-N 3.42Å; R46-T50 PolarHBondContact O-OG1 2.96Å; A47-T50 PolarHBondContact O-N 3.31Å; T50-A52 VanDerWaalsContact C-N 3.3Å; T50-A52 PolarHBondContact O-N 3.12Å; T50-I53 WeakPolarHBondContact O-CB 3.18Å; T50-I53 PolarHBondContact O-N 3.29Å; T50-I53 VanDerWaalsContact O-N 3.16Å; T50-E54 WeakPolarHBondContact O-CG 3.48Å; T50-E54 PolarHBondContact O-N 3.44Å; T50-L73 WeakPolarHBondContact OG1-CD2 3.45Å
51S92.8Very high88.2Confident56 Ų5648.1 Ų48.139%0.39228%0.276SS..Hα-helixtrans-58.6-42.2173.5-168.70000111.6A47 N48 I53 E54 T55A47-S51 PolarHBondContact O-N 3.32Å; N48-S51 PolarHBondContact O-N 3.09Å; S51-I53 PolarHBondContact O-N 3.47Å; S51-E54 PolarHBondContact O-N 2.87Å; S51-T55 PolarHBondContact O-N 3.45Å; S51-T55 PolarHBondContact O-OG1 2.98Å; S51-T55 VanDerWaalsContact O-OG1 3.08Å
52A93.1Very high88.2Confident1 Ų145.3 Ų45.31%0.00826%0.26CS..Hα-helixtrans-63.2-39.7176.800000112.2L6 L30 F33 N48 L49 T50 T55 L56L6-A52 HydrophobicContact CD1-CB 4.4Å; L6-A52 HydrophobicContact CD2-CB 3.77Å; L30-A52 HydrophobicContact CD2-CB 3.77Å; F33-A52 HydrophobicContact CD1-CB 4.42Å; F33-A52 HydrophobicContact CD2-CB 4.47Å; F33-A52 HydrophobicContact CE1-CB 4.41Å; F33-A52 HydrophobicContact CE2-CB 4.45Å; F33-A52 HydrophobicContact CG-CB 4.44Å; F33-A52 HydrophobicContact CZ-CB 4.42Å; N48-A52 WeakPolarHBondContact O-CB 3.34Å; N48-A52 PolarHBondContact O-N 3.31Å; L49-A52 PolarHBondContact O-N 3.11Å; T50-A52 VanDerWaalsContact C-N 3.3Å; T50-A52 PolarHBondContact O-N 3.12Å; A52-T55 PolarHBondContact O-N 3.2Å; A52-L56 VanDerWaalsContact O-CG 3.32Å; A52-L56 WeakPolarHBondContact O-CG 3.39Å; A52-L56 PolarHBondContact O-N 3Å
53I92.6Very high88.4Confident17 Ų1743.3 Ų43.39%0.08725%0.25CS..Hα-helixtrans-62.4-44.2174.4-67.6159.4000110.5L30 L49 T50 S51 L56 C57 G69 L73L30-I53 HydrophobicContact CD1-CD1 4.38Å; L30-I53 HydrophobicContact CD1-CG1 3.69Å; L30-I53 HydrophobicContact CD2-CG1 3.83Å; L30-I53 HydrophobicContact CG-CG1 4.42Å; L49-I53 WeakPolarHBondContact O-CD1 3.48Å; L49-I53 VanDerWaalsContact O-CG1 3.25Å; L49-I53 WeakPolarHBondContact O-CG1 3.46Å; L49-I53 PolarHBondContact O-N 2.9Å; T50-I53 WeakPolarHBondContact O-CB 3.18Å; T50-I53 PolarHBondContact O-N 3.29Å; T50-I53 VanDerWaalsContact O-N 3.16Å; S51-I53 PolarHBondContact O-N 3.47Å; I53-L56 PolarHBondContact O-N 3.3Å; I53-C57 PolarHBondContact O-N 3.08Å; I53-C57 PolarHBondContact O-SG 3.49Å; I53-G69 VanDerWaalsContact CD1-O 3.31Å; I53-G69 WeakPolarHBondContact CD1-O 3.36Å; I53-L73 HydrophobicContact CD1-CB 4.08Å; I53-L73 HydrophobicContact CD1-CD2 4.23Å
54E91.6Very high88.4Confident130 Ų13035.8 Ų35.861%0.60722%0.216SC*.Hα-helixtrans-61.5-43.8176.6-70.7175.6-178.300111.8T50 S51 L56 C57 G58T50-E54 WeakPolarHBondContact O-CG 3.48Å; T50-E54 PolarHBondContact O-N 3.44Å; S51-E54 PolarHBondContact O-N 2.87Å; E54-L56 VanDerWaalsContact C-N 3.33Å; E54-L56 PolarHBondContact O-N 3.25Å; E54-C57 PolarHBondContact O-N 2.99Å; E54-G58 PolarHBondContact O-N 2.96Å
55T92.6Very high88.5Confident29 Ų2934.7 Ų34.718%0.17821%0.205CC..Hα-helixtrans-57.7-44.4174.2-61.20000111.4D3 L6 I7 S51 A52 G58 V59D3-T55 HydrophobicContact CB-CG2 4.14Å; D3-T55 PolarHBondContact OD1-OG1 3.5Å; L6-T55 HydrophobicContact CD2-CG2 4.03Å; I7-T55 HydrophobicContact CD1-CG2 3.8Å; I7-T55 HydrophobicContact CG1-CG2 3.8Å; S51-T55 PolarHBondContact O-N 3.45Å; S51-T55 PolarHBondContact O-OG1 2.98Å; S51-T55 VanDerWaalsContact O-OG1 3.08Å; A52-T55 PolarHBondContact O-N 3.2Å; T55-G58 PolarHBondContact O-N 3.45Å; T55-V59 PolarHBondContact O-N 2.94Å
56L91.7Very high88.6Confident1 Ų135.9 Ų35.91%0.00521%0.213CC..Hα-helixtrans-66.1-40.7176.7-67.3177.7000112.4L6 F10 A26 T29 L30 A52 I53 E54 G58 V59 D60 V65L6-L56 HydrophobicContact CD2-CD2 4.3Å; L6-L56 HydrophobicContact CD2-CG 4.22Å; L6-L56 HydrophobicContact CG-CD2 4.25Å; F10-L56 HydrophobicContact CB-CD2 3.62Å; F10-L56 HydrophobicContact CD1-CD2 4.05Å; F10-L56 HydrophobicContact CD2-CD2 4.09Å; F10-L56 HydrophobicContact CG-CD2 3.66Å; A26-L56 HydrophobicContact CB-CD1 4.02Å; T29-L56 HydrophobicContact CG2-CD1 4.43Å; T29-L56 HydrophobicContact CG2-CD2 4.23Å; L30-L56 HydrophobicContact CD1-CD1 4.48Å; L30-L56 HydrophobicContact CD2-CD1 4.03Å; L30-L56 HydrophobicContact CG-CD1 3.96Å; A52-L56 VanDerWaalsContact O-CG 3.32Å; A52-L56 WeakPolarHBondContact O-CG 3.39Å; A52-L56 PolarHBondContact O-N 3Å; I53-L56 PolarHBondContact O-N 3.3Å; E54-L56 VanDerWaalsContact C-N 3.33Å; E54-L56 PolarHBondContact O-N 3.25Å; L56-G58 PolarHBondContact O-N 2.92Å; L56-V59 WeakPolarHBondContact O-CB 3.48Å; L56-V59 PolarHBondContact O-N 3.34Å; L56-D60 PolarHBondContact O-N 3.38Å; L56-V65 HydrophobicContact CB-CG1 3.96Å
57C88.6Confident88.7Confident34 Ų3430.5 Ų30.523%0.2319%0.193CC..Hα-helixtrans-63.1-28.4175.1-66.30000112.3I53 E54 V59 D60I53-C57 PolarHBondContact O-N 3.08Å; I53-C57 PolarHBondContact O-SG 3.49Å; E54-C57 PolarHBondContact O-N 2.99Å; C57-V59 PolarHBondContact O-N 3.15Å; C57-D60 WeakPolarHBondContact CA-O 3.39Å; C57-D60 CarbonylContact O-C 3.55Å
58G85.9Confident88.6Confident31 Ų3127.7 Ų27.732%0.3217%0.169SC..THydrogen-bonded Turntrans-71.7-14.2172.700000114.5E54 T55 L56 K258E54-G58 PolarHBondContact O-N 2.96Å; T55-G58 PolarHBondContact O-N 3.45Å; L56-G58 PolarHBondContact O-N 2.92Å; G58-K258 WeakPolarHBondContact O-CE 3.34Å; G58-K258 PolarHBondContact O-NZ 3.22Å
59V85.1Confident88.5Confident46 Ų4624.7 Ų24.728%0.27915%0.154SC..THydrogen-bonded Turntrans-98.3-45174.4-179.70000111.1I7 F10 T55 L56 C57I7-V59 HydrophobicContact CB-CG2 4.42Å; I7-V59 HydrophobicContact CD1-CG2 4.05Å; I7-V59 HydrophobicContact CG1-CG2 3.79Å; I7-V59 HydrophobicContact CG2-CG2 3.88Å; F10-V59 HydrophobicContact CD1-CG1 4.19Å; F10-V59 HydrophobicContact CE1-CG1 4.2Å; T55-V59 PolarHBondContact O-N 2.94Å; L56-V59 WeakPolarHBondContact O-CB 3.48Å; L56-V59 PolarHBondContact O-N 3.34Å; C57-V59 PolarHBondContact O-N 3.15Å
60D84Confident88.4Confident31 Ų3128.6 Ų28.617%0.16617%0.172CC..  trans-128.9108.2179.2-176.1-17000108.7F10 S22 L56 C57 S62 V65F10-D60 HydrophobicContact CE1-CB 4.01Å; F10-D60 HydrophobicContact CZ-CB 4.13Å; S22-D60 VanDerWaalsContact CB-OD2 3.24Å; S22-D60 WeakPolarHBondContact CB-OD2 3.46Å; S22-D60 PolarHBondContact OG-OD2 2.96Å; L56-D60 PolarHBondContact O-N 3.38Å; C57-D60 WeakPolarHBondContact CA-O 3.39Å; C57-D60 CarbonylContact O-C 3.55Å; D60-S62 PolarHBondContact O-N 3.44Å; D60-S62 WeakPolarHBondContact OD1-CB 3.4Å; D60-S62 PolarHBondContact OD1-N 3.35Å; D60-S62 PolarHBondContact OD1-OG 2.92Å; D60-S62 PolarHBondContact OD2-OG 3.44Å; D60-V65 HydrophobicContact CB-CG2 4.2Å
61S81.9Confident88.2Confident26 Ų2626.3 Ų26.318%0.18216%0.157CC..  trans-79.89.4-179.761.40000113.7Y252 K253 A254S61-Y252 PolarHBondContact OG-O 2.9Å; S61-K253 WeakPolarHBondContact OG-CA 3.41Å; S61-A254 PolarHBondContact OG-N 3.24Å; S61-A254 VanDerWaalsContact OG-N 3.1Å
62S84.7Confident88.1Confident22 Ų2223.7 Ų23.715%0.15414%0.139CC..  trans-59.7140.2175.559.40000111.5D60 A64 V65D60-S62 PolarHBondContact O-N 3.44Å; D60-S62 WeakPolarHBondContact OD1-CB 3.4Å; D60-S62 PolarHBondContact OD1-N 3.35Å; D60-S62 PolarHBondContact OD1-OG 2.92Å; D60-S62 PolarHBondContact OD2-OG 3.44Å; S62-A64 PolarHBondContact O-N 3.49Å; S62-V65 PolarHBondContact O-N 3.46Å; S62-V65 VanDerWaalsContact O-N 3.15Å; S62-V65 WeakPolarHBondContact OG-CG2 3.31Å
63V84.4Confident87.9Confident4 Ų424.6 Ų24.62%0.02414%0.143CC..Hα-helixtrans-53.8-39.4177.5178.90000110.6V65 S66 S67 E198 V236 F250V63-V65 VanDerWaalsContact C-N 3.32Å; V63-V65 PolarHBondContact O-N 2.91Å; V63-S66 PolarHBondContact O-N 3.33Å; V63-S67 PolarHBondContact O-N 3.48Å; V63-S67 PolarHBondContact O-OG 3.3Å; V63-E198 WeakPolarHBondContact CB-O 3.23Å; V63-V236 HydrophobicContact CG1-CG1 3.36Å; V63-V236 HydrophobicContact CG1-CG2 4.46Å; V63-F250 HydrophobicContact CB-CD1 4.32Å; V63-F250 HydrophobicContact CB-CE1 4.27Å; V63-F250 HydrophobicContact CG1-CE1 4.38Å; V63-F250 HydrophobicContact CG1-CZ 4.46Å; V63-F250 HydrophobicContact CG2-CB 4.05Å; V63-F250 HydrophobicContact CG2-CD1 3.48Å; V63-F250 VanDerWaalsContact CG2-CD1 3.48Å; V63-F250 HydrophobicContact CG2-CD2 4.3Å; V63-F250 HydrophobicContact CG2-CE1 3.87Å; V63-F250 HydrophobicContact CG2-CG 3.71Å; V63-F250 HydrophobicContact CG2-CZ 4.41Å
64A85.5Confident87.6Confident6 Ų628 Ų285%0.0516%0.155CC..Hα-helixtrans-59.8-34.3-177.700000114.2A23 S62 G68 F233 K234A23-A64 HydrophobicContact CB-CB 4.08Å; A23-A64 WeakPolarHBondContact CB-O 3.49Å; S62-A64 PolarHBondContact O-N 3.49Å; A64-G68 WeakPolarHBondContact O-CA 3.46Å; A64-G68 PolarHBondContact O-N 2.92Å; A64-F233 HydrophobicContact CB-CE2 4.36Å; A64-K234 HydrophobicContact CB-CG 4.07Å
65V88.1Confident87.3Confident2 Ų223.6 Ų23.61%0.01213%0.134CC..Hα-helixtrans-71.9-45.1177.1173.20000110.2F10 A26 L56 D60 S62 V63 G69F10-V65 HydrophobicContact CZ-CG2 4.32Å; A26-V65 HydrophobicContact CB-CG1 4.06Å; A26-V65 HydrophobicContact CB-CG2 4.3Å; L56-V65 HydrophobicContact CB-CG1 3.96Å; D60-V65 HydrophobicContact CB-CG2 4.2Å; S62-V65 PolarHBondContact O-N 3.46Å; S62-V65 VanDerWaalsContact O-N 3.15Å; S62-V65 WeakPolarHBondContact OG-CG2 3.31Å; V63-V65 VanDerWaalsContact C-N 3.32Å; V63-V65 PolarHBondContact O-N 2.91Å; V65-G69 PolarHBondContact O-N 3.22Å
66S88Confident86.9Confident24 Ų2422.2 Ų22.217%0.16813%0.126CC..Hα-helixtrans-63.5-53.8178.2-178.80000111.6V63 G69 E70V63-S66 PolarHBondContact O-N 3.33Å; S66-G69 PolarHBondContact O-N 2.99Å; S66-E70 PolarHBondContact O-N 3.32Å
67S87.7Confident86.5Confident1 Ų122.5 Ų22.51%0.00713%0.128CC..Hα-helixtrans-70-41.2-177.365.10000112.2V63 G69 E70 L71 F233 K234V63-S67 PolarHBondContact O-N 3.48Å; V63-S67 PolarHBondContact O-OG 3.3Å; S67-G69 VanDerWaalsContact C-N 3.34Å; S67-G69 PolarHBondContact O-N 3.41Å; S67-E70 PolarHBondContact O-N 3.13Å; S67-L71 WeakPolarHBondContact O-CB 3.43Å; S67-L71 WeakPolarHBondContact O-CG 3.46Å; S67-L71 PolarHBondContact O-N 3.39Å; S67-F233 CarbonylContact C-O 3.55Å; S67-F233 WeakPolarHBondContact CB-O 3.41Å; S67-F233 PolarHBondContact OG-O 3.33Å; S67-K234 WeakPolarHBondContact OG-CA 3.42Å
68G88.2Confident86Confident0 Ų024.3 Ų24.30%014%0.135CC..Hα-helixtrans-63.4-39.9177.100000112.3A64 F72 F233A64-G68 WeakPolarHBondContact O-CA 3.46Å; A64-G68 PolarHBondContact O-N 2.92Å; G68-F72 VanDerWaalsContact O-CB 3.24Å; G68-F72 WeakPolarHBondContact O-CB 3.2Å; G68-F72 PolarHBondContact O-N 3.49Å; G68-F233 PolarHBondContact N-O 3.03Å
69G89.7Confident85.2Confident1 Ų123.9 Ų23.91%0.0113%0.126CC..Hα-helixtrans-64.8-46.1174.600000112.7I53 V65 S66 S67 F72 L73I53-G69 VanDerWaalsContact CD1-O 3.31Å; I53-G69 WeakPolarHBondContact CD1-O 3.36Å; V65-G69 PolarHBondContact O-N 3.22Å; S66-G69 PolarHBondContact O-N 2.99Å; S67-G69 VanDerWaalsContact C-N 3.34Å; S67-G69 PolarHBondContact O-N 3.41Å; G69-F72 WeakPolarHBondContact O-CB 3.29Å; G69-F72 PolarHBondContact O-N 2.88Å; G69-L73 WeakPolarHBondContact O-CB 3.47Å; G69-L73 PolarHBondContact O-N 2.9Å
70E88.9Confident84.3Confident82 Ų8222.2 Ų22.238%0.38312%0.117SC..Hα-helixtrans-62.5-47.1178-172.9179.4169.100111.8S66 S67 F72 L73 R74 Y304S66-E70 PolarHBondContact O-N 3.32Å; S67-E70 PolarHBondContact O-N 3.13Å; E70-F72 VanDerWaalsContact C-N 3.33Å; E70-F72 PolarHBondContact O-N 3.38Å; E70-L73 PolarHBondContact O-N 3.35Å; E70-R74 WeakPolarHBondContact O-CB 3.33Å; E70-R74 PolarHBondContact O-N 2.8Å; E70-Y304 HydrophobicContact CG-CE1 4.38Å
71L87.7Confident83.3Confident8 Ų828.6 Ų28.64%0.04215%0.15CC..Hα-helixtrans-63.1-39.4176.5-75.9171.4000111.9S67 R74 F75 F100 F233 L303 Y304S67-L71 WeakPolarHBondContact O-CB 3.43Å; S67-L71 WeakPolarHBondContact O-CG 3.46Å; S67-L71 PolarHBondContact O-N 3.39Å; L71-R74 PolarHBondContact O-N 2.85Å; L71-F75 WeakPolarHBondContact O-CB 3.28Å; L71-F75 PolarHBondContact O-N 2.85Å; L71-F100 HydrophobicContact CB-CZ 3.89Å; L71-F233 HydrophobicContact CD1-CB 4.28Å; L71-L303 HydrophobicContact CD2-CB 4.36Å; L71-Y304 HydrophobicContact CD2-CD1 4.42Å; L71-Y304 HydrophobicContact CD2-CD2 4Å; L71-Y304 HydrophobicContact CD2-CE1 4.05Å; L71-Y304 HydrophobicContact CD2-CE2 3.59Å; L71-Y304 HydrophobicContact CD2-CG 4.41Å; L71-Y304 HydrophobicContact CG-CE2 4.35Å
72F90.1Very high82.6Confident1 Ų133.9 Ų33.90%0.00417%0.172CC..Hα-helixtrans-59.8-52.8174.3172.4-102.1000111.2I27 L30 L31 G68 G69 E70 R74 F75 I76 F100I27-F72 HydrophobicContact CG1-CB 4.17Å; I27-F72 HydrophobicContact CG1-CG 4.47Å; I27-F72 HydrophobicContact CG2-CD2 3.73Å; I27-F72 HydrophobicContact CG2-CE2 4.02Å; I27-F72 HydrophobicContact CG2-CG 4.37Å; L30-F72 HydrophobicContact CB-CD1 3.97Å; L30-F72 HydrophobicContact CB-CE1 3.65Å; L30-F72 HydrophobicContact CB-CZ 4.34Å; L30-F72 HydrophobicContact CD1-CD1 4Å; L31-F72 HydrophobicContact CB-CZ 4.33Å; L31-F72 HydrophobicContact CD1-CZ 4.41Å; G68-F72 VanDerWaalsContact O-CB 3.24Å; G68-F72 WeakPolarHBondContact O-CB 3.2Å; G68-F72 PolarHBondContact O-N 3.49Å; G69-F72 WeakPolarHBondContact O-CB 3.29Å; G69-F72 PolarHBondContact O-N 2.88Å; E70-F72 VanDerWaalsContact C-N 3.33Å; E70-F72 PolarHBondContact O-N 3.38Å; F72-R74 VanDerWaalsContact C-N 3.27Å; F72-R74 PolarHBondContact O-N 2.93Å; F72-F75 PolarHBondContact O-N 2.98Å; F72-I76 HydrophobicContact CD1-CD1 4.2Å; F72-I76 HydrophobicContact CD2-CG2 4.26Å; F72-I76 HydrophobicContact CE1-CD1 3.7Å; F72-I76 HydrophobicContact CE2-CG2 3.97Å; F72-I76 HydrophobicContact CZ-CD1 4.01Å; F72-I76 HydrophobicContact CZ-CG2 4.18Å; F72-I76 WeakPolarHBondContact O-CG1 3.42Å; F72-I76 PolarHBondContact O-N 3.29Å; F72-F100 HydrophobicContact CB-CD1 4.12Å; F72-F100 HydrophobicContact CB-CE1 3.87Å; F72-F100 AromaticContact CD2-CD1 3.81Å; F72-F100 HydrophobicContact CD2-CD1 3.81Å; F72-F100 HydrophobicContact CD2-CE1 4.42Å; F72-F100 HydrophobicContact CG-CD1 4.48Å
73L88.9Confident81.7Confident20 Ų2037.8 Ų37.811%0.10518%0.184CC..Hα-helixtrans-57.7-42.3179.8178.259.8000111.3R46 L49 T50 I53 G69 E70 I76 S77R46-L73 HydrophobicContact CG-CD1 4.35Å; L49-L73 HydrophobicContact CB-CD1 3.85Å; L49-L73 HydrophobicContact CD1-CD1 3.81Å; T50-L73 WeakPolarHBondContact OG1-CD2 3.45Å; I53-L73 HydrophobicContact CD1-CB 4.08Å; I53-L73 HydrophobicContact CD1-CD2 4.23Å; G69-L73 WeakPolarHBondContact O-CB 3.47Å; G69-L73 PolarHBondContact O-N 2.9Å; E70-L73 PolarHBondContact O-N 3.35Å; L73-I76 WeakPolarHBondContact O-CG1 3.48Å; L73-S77 VanDerWaalsContact O-CB 3.23Å; L73-S77 WeakPolarHBondContact O-CB 3.39Å; L73-S77 PolarHBondContact O-N 3.19Å; L73-S77 VanDerWaalsContact O-N 3.13Å; L73-S77 PolarHBondContact O-OG 3.31Å
74R85.4Confident81Confident88 Ų8844 Ų4433%0.33223%0.227SC..Hα-helixtrans-65.8-50.3177.1-165162.5-170.7143.7-5.7111.3E70 L71 F72 I76 S77 L78 Y304E70-R74 WeakPolarHBondContact O-CB 3.33Å; E70-R74 PolarHBondContact O-N 2.8Å; L71-R74 PolarHBondContact O-N 2.85Å; F72-R74 VanDerWaalsContact C-N 3.27Å; F72-R74 PolarHBondContact O-N 2.93Å; R74-I76 VanDerWaalsContact C-N 3.29Å; R74-I76 PolarHBondContact O-N 3.15Å; R74-S77 PolarHBondContact O-N 2.89Å; R74-S77 VanDerWaalsContact O-N 3.1Å; R74-S77 PolarHBondContact O-OG 3.37Å; R74-L78 WeakPolarHBondContact O-CG 3.26Å; R74-L78 PolarHBondContact O-N 3.33Å; R74-L78 VanDerWaalsContact O-N 3.15Å; R74-Y304 PolarHBondContact NE-O 3.31Å; R74-Y304 PolarHBondContact NH2-O 2.78Å
75F85.8Confident80.9Confident38 Ų3846.8 Ų46.817%0.16724%0.241CC..Hα-helixtrans-58.2-40.3-177.8-173.2-98.5000112.6L71 F72 R96 L99 F100L71-F75 WeakPolarHBondContact O-CB 3.28Å; L71-F75 PolarHBondContact O-N 2.85Å; F72-F75 PolarHBondContact O-N 2.98Å; F75-R96 HydrophobicContact CD1-CB 4.18Å; F75-R96 HydrophobicContact CE1-CB 3.94Å; F75-R96 WeakPolarHBondContact CE1-O 3.32Å; F75-R96 VanDerWaalsContact O-CZ 3.23Å; F75-R96 PolarHBondContact O-NE 3.2Å; F75-R96 PolarHBondContact O-NH2 2.92Å; F75-L99 HydrophobicContact CZ-CD2 4.4Å; F75-F100 HydrophobicContact CB-CD2 4.04Å; F75-F100 HydrophobicContact CB-CE2 4.34Å; F75-F100 HydrophobicContact CD1-CB 3.75Å; F75-F100 AromaticContact CD1-CD2 3.9Å; F75-F100 HydrophobicContact CD1-CD2 3.9Å; F75-F100 HydrophobicContact CD1-CG 4.14Å; F75-F100 HydrophobicContact CD2-CD2 4.23Å; F75-F100 HydrophobicContact CE1-CB 4.02Å; F75-F100 HydrophobicContact CE1-CD2 4.43Å; F75-F100 HydrophobicContact CG-CB 4.48Å; F75-F100 AromaticContact CG-CD2 3.78Å; F75-F100 HydrophobicContact CG-CD2 3.78Å; F75-F100 HydrophobicContact CG-CE2 4.42Å; F75-F100 HydrophobicContact CG-CG 4.4Å
76I84.7Confident80.7Confident0 Ų049.1 Ų49.10%025%0.25CS..Hα-helixtrans-77.6-29.7178.667.5178.7000112.8L34 L49 F72 L73 R74 M93 R96L34-I76 HydrophobicContact CD2-CD1 4.08Å; L49-I76 HydrophobicContact CD1-CD1 3.82Å; F72-I76 HydrophobicContact CD1-CD1 4.2Å; F72-I76 HydrophobicContact CD2-CG2 4.26Å; F72-I76 HydrophobicContact CE1-CD1 3.7Å; F72-I76 HydrophobicContact CE2-CG2 3.97Å; F72-I76 HydrophobicContact CZ-CD1 4.01Å; F72-I76 HydrophobicContact CZ-CG2 4.18Å; F72-I76 WeakPolarHBondContact O-CG1 3.42Å; F72-I76 PolarHBondContact O-N 3.29Å; L73-I76 WeakPolarHBondContact O-CG1 3.48Å; R74-I76 VanDerWaalsContact C-N 3.29Å; R74-I76 PolarHBondContact O-N 3.15Å; I76-M93 HydrophobicContact CB-CB 4.2Å; I76-M93 HydrophobicContact CB-CE 4.41Å; I76-M93 HydrophobicContact CB-CG 4.36Å; I76-M93 HydrophobicContact CD1-CE 3.71Å; I76-M93 HydrophobicContact CG1-CE 3.83Å; I76-M93 WeakPolarHBondContact CG2-O 3.4Å; I76-M93 WeakPolarHBondContact O-CG 3.44Å; I76-R96 HydrophobicContact CG2-CB 4.26Å
77S82.6Confident80.5Confident7 Ų752.1 Ų52.15%0.04927%0.271CS..Hα-helixtrans-87-13.7-173.960.90000115.1L73 R74 T79 S80L73-S77 VanDerWaalsContact O-CB 3.23Å; L73-S77 WeakPolarHBondContact O-CB 3.39Å; L73-S77 PolarHBondContact O-N 3.19Å; L73-S77 VanDerWaalsContact O-N 3.13Å; L73-S77 PolarHBondContact O-OG 3.31Å; R74-S77 PolarHBondContact O-N 2.89Å; R74-S77 VanDerWaalsContact O-N 3.1Å; R74-S77 PolarHBondContact O-OG 3.37Å; S77-T79 VanDerWaalsContact C-N 3.31Å; S77-T79 PolarHBondContact O-N 2.95Å; S77-S80 WeakPolarHBondContact CA-OG 3.32Å; S77-S80 WeakPolarHBondContact O-CB 3.48Å; S77-S80 PolarHBondContact O-N 3.13Å; S77-S80 PolarHBondContact O-OG 3.01Å
78L78.4Confident80.3Confident73 Ų7358 Ų5838%0.38230%0.297SS..G310 helixtrans-56.8-39.5179.9-80166.4000113.5R74R74-L78 WeakPolarHBondContact O-CG 3.26Å; R74-L78 PolarHBondContact O-N 3.33Å; R74-L78 VanDerWaalsContact O-N 3.15Å
79T69.8Low80.2Confident22 Ų2258.1 Ų58.114%0.13530%0.298CS..G310 helixtrans-86.2-5.8-178.250.70000113.8S77 L81 E82 R96S77-T79 VanDerWaalsContact C-N 3.31Å; S77-T79 PolarHBondContact O-N 2.95Å; T79-L81 PolarHBondContact O-N 3.43Å; T79-L81 VanDerWaalsContact O-N 3.12Å; T79-E82 PolarHBondContact O-N 3.01Å; T79-R96 WeakPolarHBondContact OG1-CD 3.16Å
80S65.2Low80.1Confident11 Ų1160 Ų608%0.07731%0.305CS..G310 helixtrans-64.7-17-177.9-520000113S77 E82S77-S80 WeakPolarHBondContact CA-OG 3.32Å; S77-S80 WeakPolarHBondContact O-CB 3.48Å; S77-S80 PolarHBondContact O-N 3.13Å; S77-S80 PolarHBondContact O-OG 3.01Å; S80-E82 VanDerWaalsContact C-N 3.33Å
81L63.9Low80Confident164 Ų16462.3 Ų62.386%0.85931%0.314SS*.G310 helixtrans-78.4-14.6179.5-66.5166.7000113.4T79T79-L81 PolarHBondContact O-N 3.43Å; T79-L81 VanDerWaalsContact O-N 3.12Å
82E66.8Low80.1Confident138 Ų13863.8 Ų63.865%0.64532%0.322SS*.SBendtrans-92.4-18-172.6-65.8178.5176.800113.9T79 S80T79-E82 PolarHBondContact O-N 3.01Å; S80-E82 VanDerWaalsContact C-N 3.33Å
83Y66.9Low80Confident104 Ų10463.7 Ų63.741%0.40832%0.321SS..  trans-125.3131.2-170.6-57.2-89.3000111.2C89 I92Y83-C89 VanDerWaalsContact CB-SG 3.57Å; Y83-C89 PolarHBondContact O-SG 3.35Å; Y83-C89 VanDerWaalsContact O-SG 3.33Å; Y83-I92 HydrophobicContact CD1-CD1 4.42Å; Y83-I92 HydrophobicContact CD2-CD1 3.78Å; Y83-I92 HydrophobicContact CE1-CD1 4.18Å; Y83-I92 HydrophobicContact CE2-CD1 3.55Å; Y83-I92 HydrophobicContact CG-CD1 4.23Å
84S69.3Low80.2Confident133 Ų13364.3 Ų64.393%0.9332%0.324SS*.SBendtrans-80.9-19.3178.855.80000113.9
85D82.8Confident80.5Confident66 Ų6664.9 Ų64.935%0.35333%0.331SS..  trans-92.2114-177.3178.9-3.9000111S87 K88 C89D85-S87 VanDerWaalsContact C-N 3.29Å; D85-S87 PolarHBondContact O-N 3.19Å; D85-S87 WeakPolarHBondContact OD1-CB 3.24Å; D85-S87 PolarHBondContact OD1-N 3.15Å; D85-K88 HydrophobicContact CB-CB 4.2Å; D85-K88 HydrophobicContact CB-CD 4.06Å; D85-K88 HydrophobicContact CB-CG 4.22Å; D85-K88 PolarHBondContact O-N 3.3Å; D85-K88 WeakPolarHBondContact OD2-CD 3.36Å; D85-K88 WeakPolarHBondContact OD2-CE 3.41Å; D85-K88 WeakPolarHBondContact OD2-CG 3.42Å; D85-C89 PolarHBondContact O-N 3.16Å; D85-C89 PolarHBondContact O-SG 2.84Å; D85-C89 VanDerWaalsContact O-SG 3.38Å
86Y83.2Confident80.7Confident50 Ų5065.9 Ų65.920%0.19633%0.333CS..Hα-helixtrans-56.6-39.7179.6177.3-105.8000113.2G39 I42 L45 K88 C89 K90G39-Y86 WeakPolarHBondContact O-CE1 3.35Å; G39-Y86 PolarHBondContact O-OH 3.46Å; I42-Y86 HydrophobicContact CG1-CD2 4.13Å; L45-Y86 HydrophobicContact CD2-CE2 4.5Å; Y86-K88 PolarHBondContact O-N 2.95Å; Y86-C89 WeakPolarHBondContact O-CB 3.4Å; Y86-C89 PolarHBondContact O-N 2.97Å; Y86-K90 HydrophobicContact CE1-CD 4.44Å; Y86-K90 WeakPolarHBondContact O-CB 3.49Å; Y86-K90 PolarHBondContact O-N 3.25Å
87S84.1Confident81Confident87 Ų8765.9 Ų65.961%0.60833%0.333SS*.Hα-helixtrans-65.1-42.5-178.2-175.90000111.1D85 K90 K91D85-S87 VanDerWaalsContact C-N 3.29Å; D85-S87 PolarHBondContact O-N 3.19Å; D85-S87 WeakPolarHBondContact OD1-CB 3.24Å; D85-S87 PolarHBondContact OD1-N 3.15Å; S87-K90 PolarHBondContact O-N 2.88Å; S87-K91 PolarHBondContact O-N 3Å; S87-K91 VanDerWaalsContact O-N 3.1Å
88K84.7Confident81.5Confident125 Ų12569.1 Ų69.154%0.54335%0.348SS..Hα-helixtrans-65.5-44.2173.8-69.7178.4-169.8173.60111.5D85 Y86 K90 K91 I92D85-K88 HydrophobicContact CB-CB 4.2Å; D85-K88 HydrophobicContact CB-CD 4.06Å; D85-K88 HydrophobicContact CB-CG 4.22Å; D85-K88 PolarHBondContact O-N 3.3Å; D85-K88 WeakPolarHBondContact OD2-CD 3.36Å; D85-K88 WeakPolarHBondContact OD2-CE 3.41Å; D85-K88 WeakPolarHBondContact OD2-CG 3.42Å; Y86-K88 PolarHBondContact O-N 2.95Å; K88-K90 PolarHBondContact O-N 3.3Å; K88-K91 PolarHBondContact O-N 3.23Å; K88-I92 WeakPolarHBondContact O-CG1 3.49Å; K88-I92 PolarHBondContact O-N 3.03Å
89C84.9Confident82.2Confident3 Ų368.8 Ų68.82%0.0235%0.346CS..Hα-helixtrans-54.9-50.3174.7-74.70000111.6I42 Y83 D85 Y86 K91 I92 M93I42-C89 HydrophobicContact CD1-CB 4.38Å; Y83-C89 VanDerWaalsContact CB-SG 3.57Å; Y83-C89 PolarHBondContact O-SG 3.35Å; Y83-C89 VanDerWaalsContact O-SG 3.33Å; D85-C89 PolarHBondContact O-N 3.16Å; D85-C89 PolarHBondContact O-SG 2.84Å; D85-C89 VanDerWaalsContact O-SG 3.38Å; Y86-C89 WeakPolarHBondContact O-CB 3.4Å; Y86-C89 PolarHBondContact O-N 2.97Å; C89-K91 VanDerWaalsContact C-N 3.33Å; C89-K91 PolarHBondContact O-N 3.3Å; C89-I92 PolarHBondContact O-N 3.1Å; C89-M93 VanDerWaalsContact O-CG 3.25Å; C89-M93 WeakPolarHBondContact O-CG 3.23Å; C89-M93 PolarHBondContact O-N 3.4Å
90K87.3Confident83.2Confident39 Ų3968.8 Ų68.817%0.1734%0.344CS..Hα-helixtrans-60.8-42.1-179.5-172.4177.3178.5-173.50111.7L34 K35 D37 Y86 S87 K88 M93 I94L34-K90 WeakPolarHBondContact O-CE 3.43Å; L34-K90 PolarHBondContact O-NZ 3.19Å; K35-K90 PolarHBondContact O-NZ 3.3Å; D37-K90 PolarHBondContact O-NZ 2.84Å; Y86-K90 HydrophobicContact CE1-CD 4.44Å; Y86-K90 WeakPolarHBondContact O-CB 3.49Å; Y86-K90 PolarHBondContact O-N 3.25Å; S87-K90 PolarHBondContact O-N 2.88Å; K88-K90 PolarHBondContact O-N 3.3Å; K90-M93 PolarHBondContact O-N 3.43Å; K90-I94 HydrophobicContact CG-CD1 4.26Å; K90-I94 WeakPolarHBondContact O-CG1 3.48Å; K90-I94 PolarHBondContact O-N 3.31Å
91K88.4Confident84.5Confident132 Ų13269.5 Ų69.557%0.57435%0.347SS*.Hα-helixtrans-60.7-47.4175.8-172.3-179.3177.2-1740111.9S87 K88 C89 M93 I94 E95S87-K91 PolarHBondContact O-N 3Å; S87-K91 VanDerWaalsContact O-N 3.1Å; K88-K91 PolarHBondContact O-N 3.23Å; C89-K91 VanDerWaalsContact C-N 3.33Å; C89-K91 PolarHBondContact O-N 3.3Å; K91-M93 VanDerWaalsContact C-N 3.32Å; K91-M93 PolarHBondContact O-N 3.26Å; K91-I94 PolarHBondContact O-N 2.8Å; K91-E95 VanDerWaalsContact CE-OE1 3.24Å; K91-E95 WeakPolarHBondContact CE-OE1 3.39Å; K91-E95 PolarHBondContact O-N 3.49Å
92I88.4Confident85.8Confident38 Ų3868.9 Ų68.920%0.19533%0.333CS..Hα-helixtrans-61.5-41.5177.4-66.4168.1000110.8Y83 K88 C89 I94 E95 R96Y83-I92 HydrophobicContact CD1-CD1 4.42Å; Y83-I92 HydrophobicContact CD2-CD1 3.78Å; Y83-I92 HydrophobicContact CE1-CD1 4.18Å; Y83-I92 HydrophobicContact CE2-CD1 3.55Å; Y83-I92 HydrophobicContact CG-CD1 4.23Å; K88-I92 WeakPolarHBondContact O-CG1 3.49Å; K88-I92 PolarHBondContact O-N 3.03Å; C89-I92 PolarHBondContact O-N 3.1Å; I92-I94 VanDerWaalsContact C-N 3.31Å; I92-I94 PolarHBondContact O-N 3.37Å; I92-E95 PolarHBondContact O-N 3.28Å; I92-R96 HydrophobicContact CG2-CG 4.26Å; I92-R96 WeakPolarHBondContact O-CB 3.28Å; I92-R96 VanDerWaalsContact O-CG 3.32Å; I92-R96 WeakPolarHBondContact O-CG 3.15Å; I92-R96 PolarHBondContact O-N 3.08Å
93M89.5Confident86.9Confident0 Ų068.7 Ų68.70%033%0.326CS..Hα-helixtrans-60.3-40.8177-70.7174.673.600111.9L34 L45 I76 C89 K90 K91 G97L34-M93 HydrophobicContact CD1-CE 4.41Å; L34-M93 HydrophobicContact CD2-CB 4.08Å; L45-M93 HydrophobicContact CD2-CE 3.58Å; L45-M93 HydrophobicContact CD2-SD 3.72Å; L45-M93 HydrophobicContact CG-CE 4.3Å; I76-M93 HydrophobicContact CB-CB 4.2Å; I76-M93 HydrophobicContact CB-CE 4.41Å; I76-M93 HydrophobicContact CB-CG 4.36Å; I76-M93 HydrophobicContact CD1-CE 3.71Å; I76-M93 HydrophobicContact CG1-CE 3.83Å; I76-M93 WeakPolarHBondContact CG2-O 3.4Å; I76-M93 WeakPolarHBondContact O-CG 3.44Å; C89-M93 VanDerWaalsContact O-CG 3.25Å; C89-M93 WeakPolarHBondContact O-CG 3.23Å; C89-M93 PolarHBondContact O-N 3.4Å; K90-M93 PolarHBondContact O-N 3.43Å; K91-M93 VanDerWaalsContact C-N 3.32Å; K91-M93 PolarHBondContact O-N 3.26Å; M93-G97 PolarHBondContact O-N 3.04Å
94I91.5Very high87.9Confident33 Ų3364 Ų6417%0.16931%0.309CS..Hα-helixtrans-65.2-47.9176.2-68164000110.8L31 L34 K35 K90 K91 I92 R96 G97 E98L31-I94 HydrophobicContact CD1-CG2 4.35Å; L34-I94 HydrophobicContact CD2-CG1 3.87Å; L34-I94 HydrophobicContact CG-CG1 3.91Å; K35-I94 HydrophobicContact CG-CD1 4.03Å; K35-I94 HydrophobicContact CG-CG1 4.22Å; K35-I94 HydrophobicContact CG-CG2 4.3Å; K90-I94 HydrophobicContact CG-CD1 4.26Å; K90-I94 WeakPolarHBondContact O-CG1 3.48Å; K90-I94 PolarHBondContact O-N 3.31Å; K91-I94 PolarHBondContact O-N 2.8Å; I92-I94 VanDerWaalsContact C-N 3.31Å; I92-I94 PolarHBondContact O-N 3.37Å; I94-R96 VanDerWaalsContact C-N 3.33Å; I94-R96 PolarHBondContact O-N 3.21Å; I94-G97 PolarHBondContact O-N 2.94Å; I94-G97 VanDerWaalsContact O-N 3.12Å; I94-E98 PolarHBondContact O-N 2.91Å
95E91.7Very high88.8Confident100 Ų10060.1 Ų60.147%0.46728%0.281SS..Hα-helixtrans-60.5-41.8178.8-71.3175.3-17200111.9K91 I92 E98 L99K91-E95 VanDerWaalsContact CE-OE1 3.24Å; K91-E95 WeakPolarHBondContact CE-OE1 3.39Å; K91-E95 PolarHBondContact O-N 3.49Å; I92-E95 PolarHBondContact O-N 3.28Å; E95-E98 PolarHBondContact O-N 3.15Å; E95-L99 PolarHBondContact O-N 2.8Å
96R90.1Very high89.2Confident59 Ų5961.6 Ų61.622%0.22329%0.289CS..Hα-helixtrans-65.9-40.6173.6-71.6-179.57093.6-0.7111.6F75 I76 T79 I92 I94 E98 L99 F100F75-R96 HydrophobicContact CD1-CB 4.18Å; F75-R96 HydrophobicContact CE1-CB 3.94Å; F75-R96 WeakPolarHBondContact CE1-O 3.32Å; F75-R96 VanDerWaalsContact O-CZ 3.23Å; F75-R96 PolarHBondContact O-NE 3.2Å; F75-R96 PolarHBondContact O-NH2 2.92Å; I76-R96 HydrophobicContact CG2-CB 4.26Å; T79-R96 WeakPolarHBondContact OG1-CD 3.16Å; I92-R96 HydrophobicContact CG2-CG 4.26Å; I92-R96 WeakPolarHBondContact O-CB 3.28Å; I92-R96 VanDerWaalsContact O-CG 3.32Å; I92-R96 WeakPolarHBondContact O-CG 3.15Å; I92-R96 PolarHBondContact O-N 3.08Å; I94-R96 VanDerWaalsContact C-N 3.33Å; I94-R96 PolarHBondContact O-N 3.21Å; R96-E98 VanDerWaalsContact C-N 3.32Å; R96-E98 PolarHBondContact O-N 3.36Å; R96-L99 WeakPolarHBondContact O-CB 3.35Å; R96-L99 PolarHBondContact O-N 3.24Å; R96-F100 WeakPolarHBondContact O-CB 3.46Å; R96-F100 PolarHBondContact O-N 2.69Å
97G92.1Very high89.7Confident0 Ų059.2 Ų59.20%028%0.279CS..Hα-helixtrans-60.6-41.7175.500000112.3M93 I94 F100 L101M93-G97 PolarHBondContact O-N 3.04Å; I94-G97 PolarHBondContact O-N 2.94Å; I94-G97 VanDerWaalsContact O-N 3.12Å; G97-F100 PolarHBondContact O-N 3.08Å; G97-L101 WeakPolarHBondContact O-CB 3.44Å; G97-L101 PolarHBondContact O-N 3.3Å
98E93.6Very high90.1Very high74 Ų7457.6 Ų57.635%0.34626%0.26SS..Hα-helixtrans-67.4-37.1174.3-73179.8176.500112.6L31 K35 I94 E95 R96 R102L31-E98 HydrophobicContact CD1-CG 4.44Å; L31-E98 HydrophobicContact CD2-CG 3.65Å; K35-E98 IonicContact NZ-OE1 3.93Å; K35-E98 PolarHBondContact NZ-OE1 3.3Å; I94-E98 PolarHBondContact O-N 2.91Å; E95-E98 PolarHBondContact O-N 3.15Å; R96-E98 VanDerWaalsContact C-N 3.32Å; R96-E98 PolarHBondContact O-N 3.36Å; E98-R102 WeakPolarHBondContact O-CG 3.42Å; E98-R102 PolarHBondContact O-N 3.25Å; E98-R102 PolarHBondContact O-NE 2.84Å
99L91.7Very high90.6Very high66 Ų6655.4 Ų55.435%0.34625%0.254SS..Hα-helixtrans-64.2-43.4172-179.262.3000111.7F75 E95 R96 R102 R103F75-L99 HydrophobicContact CZ-CD2 4.4Å; E95-L99 PolarHBondContact O-N 2.8Å; R96-L99 WeakPolarHBondContact O-CB 3.35Å; R96-L99 PolarHBondContact O-N 3.24Å; L99-R102 PolarHBondContact O-N 3.06Å; L99-R103 WeakPolarHBondContact O-CG 3.25Å; L99-R103 PolarHBondContact O-N 2.8Å
100F91Very high91.1Very high22 Ų2260.2 Ų60.210%0.09628%0.275CS..Hα-helixtrans-62.5-47.9177.3-170.4-105.6000111.1I27 L71 F72 F75 R96 G97 R102 R103 I104I27-F100 HydrophobicContact CD1-CD1 4.09Å; I27-F100 HydrophobicContact CD1-CE1 3.57Å; I27-F100 HydrophobicContact CG1-CE1 4.42Å; I27-F100 HydrophobicContact CG2-CD1 4.19Å; L71-F100 HydrophobicContact CB-CZ 3.89Å; F72-F100 HydrophobicContact CB-CD1 4.12Å; F72-F100 HydrophobicContact CB-CE1 3.87Å; F72-F100 AromaticContact CD2-CD1 3.81Å; F72-F100 HydrophobicContact CD2-CD1 3.81Å; F72-F100 HydrophobicContact CD2-CE1 4.42Å; F72-F100 HydrophobicContact CG-CD1 4.48Å; F75-F100 HydrophobicContact CB-CD2 4.04Å; F75-F100 HydrophobicContact CB-CE2 4.34Å; F75-F100 HydrophobicContact CD1-CB 3.75Å; F75-F100 AromaticContact CD1-CD2 3.9Å; F75-F100 HydrophobicContact CD1-CD2 3.9Å; F75-F100 HydrophobicContact CD1-CG 4.14Å; F75-F100 HydrophobicContact CD2-CD2 4.23Å; F75-F100 HydrophobicContact CE1-CB 4.02Å; F75-F100 HydrophobicContact CE1-CD2 4.43Å; F75-F100 HydrophobicContact CG-CB 4.48Å; F75-F100 AromaticContact CG-CD2 3.78Å; F75-F100 HydrophobicContact CG-CD2 3.78Å; F75-F100 HydrophobicContact CG-CE2 4.42Å; F75-F100 HydrophobicContact CG-CG 4.4Å; R96-F100 WeakPolarHBondContact O-CB 3.46Å; R96-F100 PolarHBondContact O-N 2.69Å; G97-F100 PolarHBondContact O-N 3.08Å; F100-R102 VanDerWaalsContact C-N 3.29Å; F100-R102 PolarHBondContact O-N 2.79Å; F100-R103 WeakPolarHBondContact O-CB 2.97Å; F100-R103 PolarHBondContact O-N 2.68Å; F100-I104 HydrophobicContact CD1-CG2 4.18Å; F100-I104 HydrophobicContact CE1-CG2 3.89Å; F100-I104 HydrophobicContact CE2-CG2 4.42Å; F100-I104 HydrophobicContact CZ-CG2 4Å; F100-I104 PolarHBondContact O-N 3.11Å
101L91.8Very high91.6Very high26 Ų2658.3 Ų58.314%0.13627%0.267CS..Hα-helixtrans-57-41175.8178.359000112.3V24 I27 R28 L31 G97 I104 S105V24-L101 HydrophobicContact CG1-CD1 3.91Å; I27-L101 HydrophobicContact CG2-CB 4.22Å; I27-L101 HydrophobicContact CG2-CD1 4.14Å; R28-L101 HydrophobicContact CG-CD1 3.74Å; R28-L101 HydrophobicContact CG-CD2 3.68Å; R28-L101 HydrophobicContact CG-CG 4.37Å; L31-L101 HydrophobicContact CD2-CD2 4.15Å; G97-L101 WeakPolarHBondContact O-CB 3.44Å; G97-L101 PolarHBondContact O-N 3.3Å; L101-I104 HydrophobicContact CD1-CD1 3.93Å; L101-I104 HydrophobicContact CD1-CG1 4.32Å; L101-I104 WeakPolarHBondContact O-CG1 3.28Å; L101-S105 WeakPolarHBondContact O-CB 3.48Å; L101-S105 PolarHBondContact O-N 3.04Å; L101-S105 VanDerWaalsContact O-N 3.14Å; L101-S105 PolarHBondContact O-OG 2.76Å
102R91.2Very high92Very high151 Ų15152.2 Ų52.257%0.5724%0.241SC*.Hα-helixtrans-63.1-44.5173.7-77.4-176.8-73.5179.7-3.4111.9E98 L99 F100 S105 L106E98-R102 WeakPolarHBondContact O-CG 3.42Å; E98-R102 PolarHBondContact O-N 3.25Å; E98-R102 PolarHBondContact O-NE 2.84Å; L99-R102 PolarHBondContact O-N 3.06Å; F100-R102 VanDerWaalsContact C-N 3.29Å; F100-R102 PolarHBondContact O-N 2.79Å; R102-S105 PolarHBondContact O-N 2.95Å; R102-L106 WeakPolarHBondContact O-CG 3.44Å; R102-L106 PolarHBondContact O-N 2.83Å
103R90Very high92.4Very high134 Ų13455.2 Ų55.251%0.50626%0.257SS..Hα-helixtrans-61.4-50.9179.9-74.5178.7176.3-165.4-1.3112L99 F100 S105 L106 S107L99-R103 WeakPolarHBondContact O-CG 3.25Å; L99-R103 PolarHBondContact O-N 2.8Å; F100-R103 WeakPolarHBondContact O-CB 2.97Å; F100-R103 PolarHBondContact O-N 2.68Å; R103-S105 VanDerWaalsContact C-N 3.25Å; R103-S105 PolarHBondContact O-N 3.25Å; R103-L106 PolarHBondContact O-N 3.41Å; R103-S107 PolarHBondContact O-N 2.86Å
104I89.2Confident92.8Very high7 Ų758.1 Ų58.14%0.03627%0.272CS..Hα-helixtrans-64.4-31.318066.5178.5000112.1V24 I27 F100 L101 L106 S107 F233V24-I104 HydrophobicContact CB-CD1 4.45Å; V24-I104 HydrophobicContact CG2-CD1 3.95Å; V24-I104 HydrophobicContact CG2-CG1 4.07Å; I27-I104 HydrophobicContact CB-CD1 3.99Å; I27-I104 HydrophobicContact CD1-CD1 3.26Å; I27-I104 HydrophobicContact CG1-CD1 4.2Å; I27-I104 HydrophobicContact CG2-CD1 3.98Å; F100-I104 HydrophobicContact CD1-CG2 4.18Å; F100-I104 HydrophobicContact CE1-CG2 3.89Å; F100-I104 HydrophobicContact CE2-CG2 4.42Å; F100-I104 HydrophobicContact CZ-CG2 4Å; F100-I104 PolarHBondContact O-N 3.11Å; L101-I104 HydrophobicContact CD1-CD1 3.93Å; L101-I104 HydrophobicContact CD1-CG1 4.32Å; L101-I104 WeakPolarHBondContact O-CG1 3.28Å; I104-L106 VanDerWaalsContact C-N 3.28Å; I104-L106 PolarHBondContact O-N 2.81Å; I104-S107 WeakPolarHBondContact O-CB 3.42Å; I104-S107 PolarHBondContact O-N 3.11Å; I104-S107 PolarHBondContact O-OG 3.42Å; I104-F233 HydrophobicContact CB-CD1 3.79Å; I104-F233 HydrophobicContact CB-CE1 4.04Å; I104-F233 HydrophobicContact CG2-CB 4.27Å; I104-F233 HydrophobicContact CG2-CD1 3.75Å; I104-F233 HydrophobicContact CG2-CE1 4.5Å; I104-F233 HydrophobicContact CG2-CG 4.31Å
105S87.9Confident93.1Very high50 Ų5056.6 Ų56.635%0.3526%0.264SS..Hα-helixtrans-69.5-28.9179.8-60.50000112L101 R102 R103L101-S105 WeakPolarHBondContact O-CB 3.48Å; L101-S105 PolarHBondContact O-N 3.04Å; L101-S105 VanDerWaalsContact O-N 3.14Å; L101-S105 PolarHBondContact O-OG 2.76Å; R102-S105 PolarHBondContact O-N 2.95Å; R103-S105 VanDerWaalsContact C-N 3.25Å; R103-S105 PolarHBondContact O-N 3.25Å
106L90.8Very high93.3Very high97 Ų9753.4 Ų53.451%0.50825%0.249SC..Hα-helixtrans-90.2-10.9178.6-65.4174.3000113.7R102 R103 I104 R108 N109 K110R102-L106 WeakPolarHBondContact O-CG 3.44Å; R102-L106 PolarHBondContact O-N 2.83Å; R103-L106 PolarHBondContact O-N 3.41Å; I104-L106 VanDerWaalsContact C-N 3.28Å; I104-L106 PolarHBondContact O-N 2.81Å; L106-R108 PolarHBondContact O-N 3.04Å; L106-N109 PolarHBondContact O-N 3.06Å; L106-K110 PolarHBondContact O-N 2.99Å
107S92.8Very high93.6Very high1 Ų154.4 Ų54.41%0.00726%0.262CS..Hα-helixtrans-54.7-46.4-17460.40000113.2R103 I104 N109 K110 I111 E231R103-S107 PolarHBondContact O-N 2.86Å; I104-S107 WeakPolarHBondContact O-CB 3.42Å; I104-S107 PolarHBondContact O-N 3.11Å; I104-S107 PolarHBondContact O-OG 3.42Å; S107-N109 VanDerWaalsContact C-N 3.3Å; S107-N109 PolarHBondContact O-N 2.78Å; S107-K110 WeakPolarHBondContact O-CB 3.38Å; S107-K110 PolarHBondContact O-N 3.35Å; S107-I111 VanDerWaalsContact O-CG1 3.32Å; S107-I111 WeakPolarHBondContact O-CG1 3.39Å; S107-I111 PolarHBondContact O-N 2.94Å; S107-E231 WeakPolarHBondContact OG-CG 3.42Å
108R93.6Very high93.9Very high52 Ų5258 Ų5820%0.19628%0.278CS..Hα-helixtrans-59.6-37.7-179.5-69.2-169.2-65.4-154.55113.3D19 L106 I111 A112 V133 E231D19-R108 PolarHBondContact O-NH1 3.48Å; D19-R108 PolarHBondContact O-NH2 3.25Å; L106-R108 PolarHBondContact O-N 3.04Å; R108-I111 PolarHBondContact O-N 3.31Å; R108-A112 WeakPolarHBondContact O-CB 3.45Å; R108-A112 PolarHBondContact O-N 3.28Å; R108-V133 HydrophobicContact CG-CB 4.36Å; R108-V133 HydrophobicContact CG-CG2 4.44Å; R108-E231 WeakPolarHBondContact CD-OE1 3.36Å; R108-E231 HydrophobicContact CG-CG 4.09Å; R108-E231 WeakPolarHBondContact CG-OE1 3.38Å
109N94.5Very high94.1Very high80 Ų8054.6 Ų54.643%0.42826%0.262SS..Hα-helixtrans-68.6-44.2178.9-67.6-10000110.5L106 S107 I111 A112 D113L106-N109 PolarHBondContact O-N 3.06Å; S107-N109 VanDerWaalsContact C-N 3.3Å; S107-N109 PolarHBondContact O-N 2.78Å; N109-I111 VanDerWaalsContact C-N 3.29Å; N109-I111 PolarHBondContact O-N 3.05Å; N109-A112 WeakPolarHBondContact O-CB 3.45Å; N109-A112 PolarHBondContact O-N 3.2Å; N109-A112 VanDerWaalsContact O-N 3.13Å; N109-D113 VanDerWaalsContact O-CG 3.23Å; N109-D113 PolarHBondContact O-N 2.87Å
110K96.2Very high94.3Very high103 Ų10359.2 Ų59.245%0.44828%0.279SS..Hα-helixtrans-58.3-42.8174.9-65.6-179.3174.6-174.10112.1L106 S107 A112 D113 L114 D287L106-K110 PolarHBondContact O-N 2.99Å; S107-K110 WeakPolarHBondContact O-CB 3.38Å; S107-K110 PolarHBondContact O-N 3.35Å; K110-A112 VanDerWaalsContact C-N 3.34Å; K110-D113 PolarHBondContact O-N 3.31Å; K110-L114 WeakPolarHBondContact O-CG 3.42Å; K110-L114 PolarHBondContact O-N 2.72Å; K110-L114 VanDerWaalsContact O-N 3.12Å; K110-D287 HydrophobicContact CB-CB 4.3Å; K110-D287 HydrophobicContact CD-CB 4.2Å
111I97.5Very high94.5Very high0 Ų062.1 Ų62.10%030%0.296CS..Hα-helixtrans-63.5-43.3177.3-65.2162.2000110.6S107 R108 N109 L114 C115 V133 V137 V229 A230 E231 F285 T286 D287S107-I111 VanDerWaalsContact O-CG1 3.32Å; S107-I111 WeakPolarHBondContact O-CG1 3.39Å; S107-I111 PolarHBondContact O-N 2.94Å; R108-I111 PolarHBondContact O-N 3.31Å; N109-I111 VanDerWaalsContact C-N 3.29Å; N109-I111 PolarHBondContact O-N 3.05Å; I111-L114 PolarHBondContact O-N 2.91Å; I111-C115 WeakPolarHBondContact O-CB 3.41Å; I111-C115 PolarHBondContact O-N 3.14Å; I111-V133 HydrophobicContact CB-CG2 4.04Å; I111-V133 HydrophobicContact CD1-CG2 4Å; I111-V133 HydrophobicContact CG2-CG2 3.62Å; I111-V137 HydrophobicContact CG2-CG2 4.29Å; I111-V229 HydrophobicContact CG2-CB 3.92Å; I111-V229 HydrophobicContact CG2-CG1 3.97Å; I111-A230 WeakPolarHBondContact CD1-O 3.42Å; I111-E231 HydrophobicContact CD1-CB 4.32Å; I111-E231 HydrophobicContact CD1-CG 3.87Å; I111-F285 HydrophobicContact CG2-CB 4.21Å; I111-T286 VanDerWaalsContact CG1-C 3.4Å; I111-D287 HydrophobicContact CG1-CB 4.35Å
112A97.3Very high94.8Very high3 Ų363.5 Ų63.53%0.02532%0.316CS..Hα-helixtrans-60.3-47.7177.200000111.9R108 N109 K110 L114 C115 H116 R136 V137 A140R108-A112 WeakPolarHBondContact O-CB 3.45Å; R108-A112 PolarHBondContact O-N 3.28Å; N109-A112 WeakPolarHBondContact O-CB 3.45Å; N109-A112 PolarHBondContact O-N 3.2Å; N109-A112 VanDerWaalsContact O-N 3.13Å; K110-A112 VanDerWaalsContact C-N 3.34Å; A112-L114 PolarHBondContact O-N 2.77Å; A112-C115 PolarHBondContact O-N 3.22Å; A112-H116 VanDerWaalsContact O-CB 3.31Å; A112-H116 WeakPolarHBondContact O-CB 3.23Å; A112-H116 PolarHBondContact O-CD2 3.15Å; A112-H116 PolarHBondContact O-N 3Å; A112-R136 HydrophobicContact CB-CG 4.17Å; A112-V137 HydrophobicContact CB-CG2 4.34Å; A112-A140 HydrophobicContact CB-CB 3.89Å
113D96.8Very high95.1Very high101 Ų10156.5 Ų56.554%0.5429%0.291SS..Hα-helixtrans-63.4-26.8178.9-65.3-23000113.1N109 K110 H116N109-D113 VanDerWaalsContact O-CG 3.23Å; N109-D113 PolarHBondContact O-N 2.87Å; K110-D113 PolarHBondContact O-N 3.31Å; D113-H116 VanDerWaalsContact C-CD2 3.44Å; D113-H116 PolarHBondContact O-CD2 2.9Å; D113-H116 PolarHBondContact O-NE2 3.16Å
114L97.1Very high95.5Very high62 Ų6251.3 Ų51.333%0.32527%0.274SS..Hα-helixtrans-83.1-54.6173.8-68.5171.2000111.5K110 I111 A112 H116 T117 F285 T286 V290K110-L114 WeakPolarHBondContact O-CG 3.42Å; K110-L114 PolarHBondContact O-N 2.72Å; K110-L114 VanDerWaalsContact O-N 3.12Å; I111-L114 PolarHBondContact O-N 2.91Å; A112-L114 PolarHBondContact O-N 2.77Å; L114-H116 PolarHBondContact O-N 2.92Å; L114-T117 PolarHBondContact O-N 3.48Å; L114-T117 PolarHBondContact O-OG1 2.62Å; L114-F285 HydrophobicContact CB-CD1 4.34Å; L114-T286 WeakPolarHBondContact CD1-O 3.44Å; L114-V290 HydrophobicContact CB-CG2 4.38Å
115C97.4Very high96Very high0 Ų051 Ų510%027%0.272CS..Hα-helixtrans-71.7-33.5-169.5-171.30000112.8I111 A112 T117 F118 V137 V229 F285I111-C115 WeakPolarHBondContact O-CB 3.41Å; I111-C115 PolarHBondContact O-N 3.14Å; A112-C115 PolarHBondContact O-N 3.22Å; C115-T117 PolarHBondContact O-N 2.91Å; C115-T117 VanDerWaalsContact O-N 3.11Å; C115-F118 PolarHBondContact O-N 3.33Å; C115-V137 HydrophobicContact CB-CG1 3.77Å; C115-V137 HydrophobicContact CB-CG2 3.91Å; C115-V229 HydrophobicContact CB-CG1 4.05Å; C115-F285 HydrophobicContact CB-CB 4.03Å; C115-F285 HydrophobicContact CB-CD1 3.67Å; C115-F285 HydrophobicContact CB-CD2 4.3Å; C115-F285 HydrophobicContact CB-CE1 4.22Å; C115-F285 HydrophobicContact CB-CG 3.73Å
116H96.7Very high96.5Very high33 Ų3348.6 Ų48.615%0.15326%0.256CS..G310 helixtrans-62.1-24.7-178.384.8115.7000111.9A112 D113 L114 F118 I119 A140 A141 K146A112-H116 VanDerWaalsContact O-CB 3.31Å; A112-H116 WeakPolarHBondContact O-CB 3.23Å; A112-H116 PolarHBondContact O-CD2 3.15Å; A112-H116 PolarHBondContact O-N 3Å; D113-H116 VanDerWaalsContact C-CD2 3.44Å; D113-H116 PolarHBondContact O-CD2 2.9Å; D113-H116 PolarHBondContact O-NE2 3.16Å; L114-H116 PolarHBondContact O-N 2.92Å; H116-F118 PolarHBondContact O-N 3.4Å; H116-I119 PolarHBondContact O-N 3.27Å; H116-A140 HydrophobicContact CB-CB 3.96Å; H116-A140 PolarHBondContact ND1-O 3.36Å; H116-A141 HydrophobicContact CB-CB 4.16Å; H116-K146 PolarHBondContact O-NZ 3.44Å
117T96.8Very high96.8Very high80 Ų8044 Ų4449%0.49123%0.231SC..G310 helixtrans-65-28.3177.368.50000112.6L114 C115 K146L114-T117 PolarHBondContact O-N 3.48Å; L114-T117 PolarHBondContact O-OG1 2.62Å; C115-T117 PolarHBondContact O-N 2.91Å; C115-T117 VanDerWaalsContact O-N 3.11Å; T117-K146 PolarHBondContact O-NZ 3.42Å
118F97.1Very high97.1Very high77 Ų7744 Ų4434%0.33823%0.232SC..G310 helixtrans-81.5-12.7179.6-74.1-105.5000113.6C115 H116 Y227 L283 F285 V290C115-F118 PolarHBondContact O-N 3.33Å; H116-F118 PolarHBondContact O-N 3.4Å; F118-Y227 HydrophobicContact CB-CE2 4.29Å; F118-L283 HydrophobicContact CD1-CD1 4.39Å; F118-L283 HydrophobicContact CE1-CD1 3.82Å; F118-L283 HydrophobicContact CZ-CD1 4.42Å; F118-F285 HydrophobicContact CB-CZ 4.15Å; F118-F285 HydrophobicContact CD1-CE1 4.46Å; F118-F285 AromaticContact CD1-CZ 3.85Å; F118-F285 HydrophobicContact CD1-CZ 3.85Å; F118-F285 AromaticContact CD2-CE1 3.38Å; F118-F285 HydrophobicContact CD2-CE1 3.38Å; F118-F285 AromaticContact CD2-CZ 3.55Å; F118-F285 HydrophobicContact CD2-CZ 3.55Å; F118-F285 HydrophobicContact CE1-CZ 4.1Å; F118-F285 AromaticContact CE2-CE1 3.47Å; F118-F285 HydrophobicContact CE2-CE1 3.47Å; F118-F285 VanDerWaalsContact CE2-CE1 3.47Å; F118-F285 AromaticContact CE2-CZ 3.85Å; F118-F285 HydrophobicContact CE2-CZ 3.85Å; F118-F285 AromaticContact CG-CE1 3.93Å; F118-F285 HydrophobicContact CG-CE1 3.93Å; F118-F285 AromaticContact CG-CZ 3.57Å; F118-F285 HydrophobicContact CG-CZ 3.57Å; F118-F285 HydrophobicContact CZ-CE1 4.05Å; F118-F285 HydrophobicContact CZ-CZ 4.1Å; F118-V290 HydrophobicContact CE2-CG2 4.35Å; F118-V290 HydrophobicContact CZ-CG1 4.44Å
119I97.6Very high97.2Very high1 Ų141.8 Ų41.81%0.00522%0.224CC..SBendtrans-79.7119172.3-62.3169.8000108.2H116 A123 I125 V137 L138 A141 K146 F148 I194H116-I119 PolarHBondContact O-N 3.27Å; I119-A123 HydrophobicContact CG2-CB 4.45Å; I119-I125 HydrophobicContact CD1-CD1 3.78Å; I119-I125 HydrophobicContact CG1-CD1 3.96Å; I119-I125 HydrophobicContact CG2-CD1 3.77Å; I119-V137 HydrophobicContact CD1-CG1 4.03Å; I119-L138 HydrophobicContact CD1-CD2 3.96Å; I119-A141 HydrophobicContact CD1-CB 3.93Å; I119-K146 VanDerWaalsContact O-CD 3.26Å; I119-K146 WeakPolarHBondContact O-CD 3.37Å; I119-K146 WeakPolarHBondContact O-CE 3.33Å; I119-K146 PolarHBondContact O-NZ 3.46Å; I119-F148 HydrophobicContact CG2-CB 4.39Å; I119-F148 HydrophobicContact CG2-CD1 4.33Å; I119-F148 HydrophobicContact CG2-CG 4.35Å; I119-I194 HydrophobicContact CD1-CD1 3.83Å; I119-I194 HydrophobicContact CG1-CD1 3.93Å
120K96.2Very high97.2Very high164 Ų16440.3 Ų40.371%0.71321%0.213SC*.PPolyproline II helixtrans-80.2153176.1-64.2-179.8-178.2175.80110.9A123K120-A123 HydrophobicContact CB-CB 4.38Å; K120-A123 WeakPolarHBondContact O-CB 3.4Å; K120-A123 PolarHBondContact O-N 2.69Å
121D96.9Very high97.2Very high82 Ų8236.2 Ų36.244%0.43920%0.197SC..THydrogen-bonded Turntrans-64.2136.7167.7-167.560.9000109.4A123 R147D121-A123 VanDerWaalsContact C-N 3.32Å; D121-R147 WeakPolarHBondContact OD1-CB 3.34Å; D121-R147 PolarHBondContact OD1-N 2.94Å; D121-R147 IonicContact OD1-NE 3Å; D121-R147 IonicContact OD2-CZ 2.77Å; D121-R147 IonicContact OD2-NE 2.84Å; D121-R147 PolarHBondContact OD2-NE 3.43Å; D121-R147 IonicContact OD2-NH2 3.3Å; D121-R147 PolarHBondContact OD2-NH2 3.15Å
122G97.2Very high97Very high55 Ų5540 Ų4057%0.56721%0.212SC*.THydrogen-bonded Turntrans80.20.3-172.900000115.5R147G122-R147 WeakPolarHBondContact CA-O 3.26Å; G122-R147 PolarHBondContact N-O 3.01Å
123A97.8Very high96.9Very high4 Ų439.9 Ų39.93%0.03321%0.211CC..  trans-67.2148.1-174.300000113.3I119 K120 D121 F148 S149 D191I119-A123 HydrophobicContact CG2-CB 4.45Å; K120-A123 HydrophobicContact CB-CB 4.38Å; K120-A123 WeakPolarHBondContact O-CB 3.4Å; K120-A123 PolarHBondContact O-N 2.69Å; D121-A123 VanDerWaalsContact C-N 3.32Å; A123-F148 CarbonylContact O-C 3.51Å; A123-F148 VanDerWaalsContact O-CA 3.23Å; A123-F148 WeakPolarHBondContact O-CA 3.23Å; A123-F148 WeakPolarHBondContact O-CB 3.33Å; A123-S149 PolarHBondContact O-N 3.19Å; A123-D191 WeakPolarHBondContact CA-OD2 3.45Å
124T98.5Very high96.9Very high25 Ų2535 Ų3515%0.15319%0.185CC..EExtended strand (participates in β ladder)trans-103.7117.9166.9-650000109.8S149 Y151 K189 D191 L192T124-S149 PolarHBondContact OG1-OG 3.4Å; T124-Y151 HydrophobicContact CG2-CD2 3.58Å; T124-Y151 HydrophobicContact CG2-CE2 3.48Å; T124-Y151 VanDerWaalsContact CG2-CE2 3.48Å; T124-K189 WeakPolarHBondContact CB-O 3.48Å; T124-K189 VanDerWaalsContact CG2-O 3.31Å; T124-K189 WeakPolarHBondContact CG2-O 3.33Å; T124-D191 PolarHBondContact N-OD2 3.35Å; T124-D191 PolarHBondContact O-N 3.41Å; T124-L192 PolarHBondContact O-N 3.32Å
125I98.6Very high96.9Very high0 Ų032.8 Ų32.80%017%0.173CC..EExtended strand (participates in β ladder)trans-105.3135.7-175-55177000109.1I119 L138 F148 S149 V150 Y151 L192 I194I119-I125 HydrophobicContact CD1-CD1 3.78Å; I119-I125 HydrophobicContact CG1-CD1 3.96Å; I119-I125 HydrophobicContact CG2-CD1 3.77Å; I125-L138 HydrophobicContact CD1-CD2 3.69Å; I125-F148 HydrophobicContact CD1-CB 4.44Å; I125-F148 HydrophobicContact CD1-CD2 3.68Å; I125-F148 HydrophobicContact CD1-CE2 4.18Å; I125-F148 HydrophobicContact CD1-CG 4.16Å; I125-F148 HydrophobicContact CG1-CD2 4.46Å; I125-S149 PolarHBondContact N-O 3.02Å; I125-V150 HydrophobicContact CB-CG2 4.4Å; I125-V150 CarbonylContact O-C 3.58Å; I125-V150 VanDerWaalsContact O-CA 3.3Å; I125-V150 WeakPolarHBondContact O-CA 3.45Å; I125-Y151 PolarHBondContact O-N 3.34Å; I125-L192 HydrophobicContact CB-CD1 4.32Å; I125-L192 HydrophobicContact CG1-CD1 3.97Å; I125-L192 HydrophobicContact CG1-CG 4.33Å; I125-L192 HydrophobicContact CG2-CD1 3.89Å; I125-I194 HydrophobicContact CD1-CD1 4.41Å; I125-I194 HydrophobicContact CG2-CB 4.35Å; I125-I194 HydrophobicContact CG2-CD1 4.1Å; I125-I194 HydrophobicContact CG2-CG1 4.06Å
126L98.6Very high96.9Very high0 Ų037.4 Ų37.40%019%0.19CC..EExtended strand (participates in β ladder)trans-104.5129.7165.3176.964.3000109.7Y151 V183 I186 M187 A190 L192 V193 I194 M215L126-Y151 WeakPolarHBondContact CA-O 3.49Å; L126-V183 HydrophobicContact CD2-CG1 4.37Å; L126-I186 HydrophobicContact CD1-CG2 3.97Å; L126-I186 HydrophobicContact CD2-CG2 4.05Å; L126-M187 HydrophobicContact CD2-CE 3.57Å; L126-M187 HydrophobicContact CD2-SD 4.23Å; L126-A190 HydrophobicContact CB-CB 3.88Å; L126-L192 PolarHBondContact N-O 3.07Å; L126-V193 HydrophobicContact CB-CG2 4.25Å; L126-V193 HydrophobicContact CD2-CG2 4.32Å; L126-V193 CarbonylContact O-C 3.57Å; L126-V193 VanDerWaalsContact O-CA 3.3Å; L126-V193 WeakPolarHBondContact O-CA 3.18Å; L126-I194 PolarHBondContact O-N 3.44Å; L126-M215 HydrophobicContact CD1-CE 4.28Å; L126-M215 HydrophobicContact CD2-CE 4.11Å; L126-M215 HydrophobicContact CD2-CG 4.08Å; L126-M215 HydrophobicContact CD2-SD 4.07Å; L126-M215 HydrophobicContact CG-CE 4Å; L126-M215 HydrophobicContact CG-SD 4.01Å
127T98.3Very high96.9Very high0 Ų035.8 Ų35.80%018%0.183CC..EExtended strand (participates in β ladder)trans-125.5157.3174.2-176.80000111.4V150 Y151 V152 T153 M164 I194T127-V150 HydrophobicContact CG2-CG1 3.7Å; T127-Y151 PolarHBondContact N-O 2.94Å; T127-V152 HydrophobicContact CG2-CB 3.85Å; T127-V152 HydrophobicContact CG2-CG2 3.89Å; T127-V152 WeakPolarHBondContact O-CA 3.25Å; T127-T153 PolarHBondContact O-N 3.23Å; T127-M164 HydrophobicContact CG2-CG 4.46Å; T127-I194 VanDerWaalsContact CA-O 3.29Å; T127-I194 WeakPolarHBondContact CA-O 3.41Å; T127-I194 WeakPolarHBondContact CB-O 3.36Å; T127-I194 PolarHBondContact OG1-O 2.91Å
128H97.9Very high97Very high3 Ų332 Ų321%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-110.6126.6178.1-169.246.9000111.3T153 V195 K209 I210 T212 M215H128-T153 WeakPolarHBondContact CA-OG1 3.16Å; H128-T153 PolarHBondContact ND1-OG1 3.2Å; H128-V195 HydrophobicContact CB-CG1 3.92Å; H128-K209 PolarHBondContact NE2-O 3.24Å; H128-I210 PolarHBondContact NE2-O 3.3Å; H128-T212 PolarHBondContact CD2-OG1 3.48Å; H128-T212 VanDerWaalsContact CD2-OG1 3.25Å; H128-M215 HydrophobicContact CB-CE 3.64Å; H128-M215 HydrophobicContact CB-SD 4.03Å
129A95.3Very high97Very high5 Ų530.3 Ų30.34%0.04115%0.153CC..SBendtrans55.3-161.317400000114.7T153 K209A129-T153 PolarHBondContact N-OG1 2.8Å; A129-K209 HydrophobicContact CB-CG 4.13Å
130Y95.6Very high97Very high49 Ų4931 Ų3119%0.19216%0.159CC..  trans-94.8115.8172.2-175.2-100.5000111R132 L135 S160 K163 M164Y130-R132 HydrophobicContact CE1-CG 3.75Å; Y130-L135 HydrophobicContact CE2-CD2 4.1Å; Y130-S160 WeakPolarHBondContact CB-O 3.47Å; Y130-K163 HydrophobicContact CD1-CD 4.19Å; Y130-K163 HydrophobicContact CD2-CB 4.2Å; Y130-K163 HydrophobicContact CD2-CD 3.95Å; Y130-K163 HydrophobicContact CD2-CG 3.88Å; Y130-K163 HydrophobicContact CE1-CD 4.27Å; Y130-K163 HydrophobicContact CE2-CD 4.03Å; Y130-K163 HydrophobicContact CE2-CG 3.99Å; Y130-K163 HydrophobicContact CG-CD 4.03Å; Y130-K163 HydrophobicContact CG-CG 4.38Å; Y130-M164 HydrophobicContact CD2-CB 4Å; Y130-M164 HydrophobicContact CD2-SD 4.37Å
131S95.1Very high97.1Very high17 Ų1723.2 Ų23.212%0.11913%0.125CC..  trans-123.9126.3170167.50000110.3V133 V134 L135 M164S131-V133 VanDerWaalsContact C-N 3.34Å; S131-V133 PolarHBondContact O-N 3.32Å; S131-V133 WeakPolarHBondContact OG-CG1 3.13Å; S131-V134 PolarHBondContact O-N 2.8Å; S131-V134 WeakPolarHBondContact OG-CG2 3.38Å; S131-V134 PolarHBondContact OG-N 3.16Å; S131-L135 WeakPolarHBondContact O-CB 3.41Å; S131-L135 PolarHBondContact O-N 3.04Å; S131-M164 WeakPolarHBondContact O-CE 3.1Å
132R93.3Very high97.1Very high78 Ų7821.7 Ų21.729%0.29412%0.119SC..Hα-helixtrans-64.5-38.6-179.9-63.7-177.7-179.9137.1-19112.2P18 D19 M20 Y130 R136P18-R132 PolarHBondContact O-NH2 3.35Å; D19-R132 WeakPolarHBondContact O-CD 3.49Å; M20-R132 PolarHBondContact O-NH1 3.02Å; M20-R132 PolarHBondContact O-NH2 3.11Å; Y130-R132 HydrophobicContact CE1-CG 3.75Å; R132-R136 WeakPolarHBondContact O-CB 3.47Å; R132-R136 PolarHBondContact O-N 2.77Å; R132-R136 VanDerWaalsContact O-N 3.1Å
133V95.4Very high97.1Very high1 Ų123 Ų231%0.00612%0.124CC..Hα-helixtrans-72.2-38.7178.362.10000111R108 I111 S131 R136 V137 V229R108-V133 HydrophobicContact CG-CB 4.36Å; R108-V133 HydrophobicContact CG-CG2 4.44Å; I111-V133 HydrophobicContact CB-CG2 4.04Å; I111-V133 HydrophobicContact CD1-CG2 4Å; I111-V133 HydrophobicContact CG2-CG2 3.62Å; S131-V133 VanDerWaalsContact C-N 3.34Å; S131-V133 PolarHBondContact O-N 3.32Å; S131-V133 WeakPolarHBondContact OG-CG1 3.13Å; V133-R136 PolarHBondContact O-N 3.46Å; V133-V137 VanDerWaalsContact O-CG2 3.26Å; V133-V137 WeakPolarHBondContact O-CG2 3.41Å; V133-V137 PolarHBondContact O-N 3.23Å; V133-V229 HydrophobicContact CG1-CB 4.26Å; V133-V229 HydrophobicContact CG1-CG2 3.77Å; V133-V229 HydrophobicContact CG2-CB 4.19Å; V133-V229 HydrophobicContact CG2-CG2 4.35Å
134V97.6Very high97.1Very high0 Ų025 Ų250%014%0.141CC..Hα-helixtrans-63.1-46.4174.1177.10000110.6S131 R136 V137 L138 M164 I194 V229S131-V134 PolarHBondContact O-N 2.8Å; S131-V134 WeakPolarHBondContact OG-CG2 3.38Å; S131-V134 PolarHBondContact OG-N 3.16Å; V134-R136 PolarHBondContact O-N 3.07Å; V134-V137 WeakPolarHBondContact O-CB 3.36Å; V134-V137 PolarHBondContact O-N 3.39Å; V134-V137 VanDerWaalsContact O-N 3.15Å; V134-L138 HydrophobicContact CG1-CD1 4.03Å; V134-L138 HydrophobicContact CG1-CG 4.31Å; V134-L138 WeakPolarHBondContact O-CG 3.41Å; V134-L138 PolarHBondContact O-N 3.35Å; V134-M164 HydrophobicContact CB-CE 3.99Å; V134-M164 HydrophobicContact CG1-CE 3.91Å; V134-I194 HydrophobicContact CG1-CG2 4.23Å; V134-I194 HydrophobicContact CG2-CG2 4.16Å; V134-V229 HydrophobicContact CB-CG2 4.38Å; V134-V229 HydrophobicContact CG2-CG2 3.37Å
135L97.1Very high97Very high14 Ų1432.7 Ų32.77%0.07317%0.172CC..Hα-helixtrans-55.2-44.1175.9-179.760.6000110.8Y130 S131 V137 L138 E139 M164 A167 L168 L171Y130-L135 HydrophobicContact CE2-CD2 4.1Å; S131-L135 WeakPolarHBondContact O-CB 3.41Å; S131-L135 PolarHBondContact O-N 3.04Å; L135-V137 PolarHBondContact O-N 3.35Å; L135-L138 PolarHBondContact O-N 2.91Å; L135-L138 VanDerWaalsContact O-N 3.16Å; L135-E139 WeakPolarHBondContact O-CG 3.33Å; L135-E139 PolarHBondContact O-N 3.36Å; L135-M164 HydrophobicContact CB-CE 4.29Å; L135-M164 HydrophobicContact CB-SD 4.15Å; L135-M164 HydrophobicContact CD1-SD 4.12Å; L135-A167 HydrophobicContact CD1-CB 3.85Å; L135-A167 HydrophobicContact CD2-CB 3.88Å; L135-L168 HydrophobicContact CD1-CD2 4.1Å; L135-L171 HydrophobicContact CD1-CD1 4Å
136R96.5Very high96.9Very high97 Ų9735 Ų3537%0.36618%0.182SC..Hα-helixtrans-66.1-35.9179.2-159.655.362.3-166.3-6.7113.5A112 R132 V133 V134 E139 A140A112-R136 HydrophobicContact CB-CG 4.17Å; R132-R136 WeakPolarHBondContact O-CB 3.47Å; R132-R136 PolarHBondContact O-N 2.77Å; R132-R136 VanDerWaalsContact O-N 3.1Å; V133-R136 PolarHBondContact O-N 3.46Å; V134-R136 PolarHBondContact O-N 3.07Å; R136-E139 VanDerWaalsContact CA-OE2 3.24Å; R136-E139 WeakPolarHBondContact CA-OE2 3.46Å; R136-E139 VanDerWaalsContact CD-OE2 3.28Å; R136-E139 WeakPolarHBondContact CD-OE2 3.44Å; R136-E139 IonicContact CZ-OE1 3.33Å; R136-E139 IonicContact CZ-OE2 2.77Å; R136-E139 IonicContact NE-OE2 2.8Å; R136-E139 PolarHBondContact NE-OE2 2.93Å; R136-E139 IonicContact NH1-OE1 2.68Å; R136-E139 PolarHBondContact NH1-OE1 2.87Å; R136-E139 IonicContact NH1-OE2 3.46Å; R136-E139 PolarHBondContact NH1-OE2 2.88Å; R136-E139 IonicContact NH2-OE1 2.93Å; R136-E139 PolarHBondContact NH2-OE1 2.98Å; R136-E139 IonicContact NH2-OE2 3.32Å; R136-E139 PolarHBondContact NH2-OE2 3.01Å; R136-E139 PolarHBondContact O-N 3.42Å; R136-A140 PolarHBondContact O-N 2.62Å
137V98.1Very high96.9Very high0 Ų043.5 Ų43.50%021%0.214CC..Hα-helixtrans-62-44.8171.1171.50000111I111 A112 C115 I119 V133 V134 L135 A140 A141 V229I111-V137 HydrophobicContact CG2-CG2 4.29Å; A112-V137 HydrophobicContact CB-CG2 4.34Å; C115-V137 HydrophobicContact CB-CG1 3.77Å; C115-V137 HydrophobicContact CB-CG2 3.91Å; I119-V137 HydrophobicContact CD1-CG1 4.03Å; V133-V137 VanDerWaalsContact O-CG2 3.26Å; V133-V137 WeakPolarHBondContact O-CG2 3.41Å; V133-V137 PolarHBondContact O-N 3.23Å; V134-V137 WeakPolarHBondContact O-CB 3.36Å; V134-V137 PolarHBondContact O-N 3.39Å; V134-V137 VanDerWaalsContact O-N 3.15Å; L135-V137 PolarHBondContact O-N 3.35Å; V137-A140 PolarHBondContact O-N 3.09Å; V137-A141 PolarHBondContact O-N 2.85Å; V137-V229 HydrophobicContact CG2-CG1 4.09Å
138L98.1Very high96.9Very high1 Ų144.1 Ų44.11%0.00522%0.217CC..Hα-helixtrans-69.3-37.7179.9-61.8177.3000111.5I119 I125 V134 L135 A140 A141 V142 F148 V150 L168I119-L138 HydrophobicContact CD1-CD2 3.96Å; I125-L138 HydrophobicContact CD1-CD2 3.69Å; V134-L138 HydrophobicContact CG1-CD1 4.03Å; V134-L138 HydrophobicContact CG1-CG 4.31Å; V134-L138 WeakPolarHBondContact O-CG 3.41Å; V134-L138 PolarHBondContact O-N 3.35Å; L135-L138 PolarHBondContact O-N 2.91Å; L135-L138 VanDerWaalsContact O-N 3.16Å; L138-A140 PolarHBondContact O-N 2.62Å; L138-A141 WeakPolarHBondContact O-CB 3.42Å; L138-A141 PolarHBondContact O-N 3.26Å; L138-V142 WeakPolarHBondContact O-CG2 3.21Å; L138-V142 PolarHBondContact O-N 2.62Å; L138-F148 HydrophobicContact CB-CE2 4.35Å; L138-F148 HydrophobicContact CB-CZ 4.19Å; L138-F148 HydrophobicContact CD2-CE2 3.75Å; L138-F148 HydrophobicContact CD2-CZ 4.14Å; L138-V150 HydrophobicContact CD1-CG2 4.3Å; L138-L168 HydrophobicContact CB-CD2 4.08Å; L138-L168 HydrophobicContact CD1-CD1 4.17Å; L138-L168 HydrophobicContact CD1-CD2 3.67Å
139E97.5Very high96.9Very high40 Ų4045.7 Ų45.719%0.18723%0.228CC..Hα-helixtrans-59.7-43.7170.9-74.5168.4117.800111.8L135 R136 A141 V142 A143 L171L135-E139 WeakPolarHBondContact O-CG 3.33Å; L135-E139 PolarHBondContact O-N 3.36Å; R136-E139 VanDerWaalsContact CA-OE2 3.24Å; R136-E139 WeakPolarHBondContact CA-OE2 3.46Å; R136-E139 VanDerWaalsContact CD-OE2 3.28Å; R136-E139 WeakPolarHBondContact CD-OE2 3.44Å; R136-E139 IonicContact CZ-OE1 3.33Å; R136-E139 IonicContact CZ-OE2 2.77Å; R136-E139 IonicContact NE-OE2 2.8Å; R136-E139 PolarHBondContact NE-OE2 2.93Å; R136-E139 IonicContact NH1-OE1 2.68Å; R136-E139 PolarHBondContact NH1-OE1 2.87Å; R136-E139 IonicContact NH1-OE2 3.46Å; R136-E139 PolarHBondContact NH1-OE2 2.88Å; R136-E139 IonicContact NH2-OE1 2.93Å; R136-E139 PolarHBondContact NH2-OE1 2.98Å; R136-E139 IonicContact NH2-OE2 3.32Å; R136-E139 PolarHBondContact NH2-OE2 3.01Å; R136-E139 PolarHBondContact O-N 3.42Å; E139-A141 VanDerWaalsContact C-N 3.31Å; E139-A141 PolarHBondContact O-N 3.46Å; E139-V142 PolarHBondContact O-N 3.16Å; E139-A143 WeakPolarHBondContact O-CB 3.35Å; E139-A143 PolarHBondContact O-N 2.99Å; E139-L171 HydrophobicContact CG-CD1 3.36Å; E139-L171 HydrophobicContact CG-CD2 4.04Å; E139-L171 HydrophobicContact CG-CG 4.35Å
140A97.7Very high97Very high17 Ų1745.6 Ų45.614%0.1423%0.227CC..Hα-helixtrans-64.7-34.4175.300000112.4A112 H116 R136 V137 L138 A143 A144A112-A140 HydrophobicContact CB-CB 3.89Å; H116-A140 HydrophobicContact CB-CB 3.96Å; H116-A140 PolarHBondContact ND1-O 3.36Å; R136-A140 PolarHBondContact O-N 2.62Å; V137-A140 PolarHBondContact O-N 3.09Å; L138-A140 PolarHBondContact O-N 2.62Å; A140-A143 PolarHBondContact O-N 2.8Å; A140-A144 WeakPolarHBondContact O-CB 3.46Å; A140-A144 PolarHBondContact O-N 3.11Å
141A97.9Very high97.2Very high0 Ų045.4 Ų45.40%023%0.226CC..Hα-helixtrans-65.8-41.3173.300000112H116 I119 V137 L138 E139 A144 K145 K146 F148H116-A141 HydrophobicContact CB-CB 4.16Å; I119-A141 HydrophobicContact CD1-CB 3.93Å; V137-A141 PolarHBondContact O-N 2.85Å; L138-A141 WeakPolarHBondContact O-CB 3.42Å; L138-A141 PolarHBondContact O-N 3.26Å; E139-A141 VanDerWaalsContact C-N 3.31Å; E139-A141 PolarHBondContact O-N 3.46Å; A141-A144 CarbonylContact O-C 3.53Å; A141-A144 PolarHBondContact O-N 3.07Å; A141-K145 PolarHBondContact O-N 3.33Å; A141-K146 WeakPolarHBondContact O-CB 3.21Å; A141-K146 PolarHBondContact O-N 3.04Å; A141-K146 VanDerWaalsContact O-N 3.07Å; A141-F148 HydrophobicContact CB-CD1 4.25Å; A141-F148 HydrophobicContact CB-CE1 3.49Å; A141-F148 VanDerWaalsContact CB-CE1 3.49Å; A141-F148 HydrophobicContact CB-CZ 3.96Å
142V97.6Very high97.3Very high50 Ų5044.6 Ų44.630%0.30322%0.22SC..Hα-helixtrans-64.1-45173.9173.20000111.1L138 E139 A144 K145 F148 V173L138-V142 WeakPolarHBondContact O-CG2 3.21Å; L138-V142 PolarHBondContact O-N 2.62Å; E139-V142 PolarHBondContact O-N 3.16Å; V142-A144 PolarHBondContact O-N 3.1Å; V142-K145 WeakPolarHBondContact O-CA 3.46Å; V142-K145 PolarHBondContact O-N 2.94Å; V142-F148 HydrophobicContact CG2-CE1 3.9Å; V142-F148 HydrophobicContact CG2-CZ 3.81Å; V142-V173 HydrophobicContact CG2-CG2 3.42Å; V142-V173 VanDerWaalsContact CG2-CG2 3.42Å
143A97.5Very high97.6Very high83 Ų8340.9 Ų40.969%0.68621%0.206SC*.Hα-helixtrans-60.9-34176.800000112.2E139 A140 K145E139-A143 WeakPolarHBondContact O-CB 3.35Å; E139-A143 PolarHBondContact O-N 2.99Å; A140-A143 PolarHBondContact O-N 2.8Å; A143-K145 PolarHBondContact O-N 3.49Å
144A97.1Very high97.7Very high45 Ų4542.2 Ų42.237%0.37221%0.213SC..THydrogen-bonded Turntrans-76.710.1171.700000114A140 A141 V142 K146A140-A144 WeakPolarHBondContact O-CB 3.46Å; A140-A144 PolarHBondContact O-N 3.11Å; A141-A144 CarbonylContact O-C 3.53Å; A141-A144 PolarHBondContact O-N 3.07Å; V142-A144 PolarHBondContact O-N 3.1Å; A144-K146 HydrophobicContact CB-CG 4.35Å; A144-K146 PolarHBondContact O-N 3.41Å
145K96.6Very high97.5Very high186 Ų18642.2 Ų42.281%0.80921%0.213SC*.THydrogen-bonded Turntrans59.327178.4-56-179.4179.4178.50114.4A141 V142 A143A141-K145 PolarHBondContact O-N 3.33Å; V142-K145 WeakPolarHBondContact O-CA 3.46Å; V142-K145 PolarHBondContact O-N 2.94Å; A143-K145 PolarHBondContact O-N 3.49Å
146K97.4Very high97.3Very high48 Ų4845.9 Ų45.921%0.20923%0.229CC..  trans-79.7133.9174.4-59.4-174.4173.8-171.40109.6H116 T117 I119 A141 A144 F148H116-K146 PolarHBondContact O-NZ 3.44Å; T117-K146 PolarHBondContact O-NZ 3.42Å; I119-K146 VanDerWaalsContact O-CD 3.26Å; I119-K146 WeakPolarHBondContact O-CD 3.37Å; I119-K146 WeakPolarHBondContact O-CE 3.33Å; I119-K146 PolarHBondContact O-NZ 3.46Å; A141-K146 WeakPolarHBondContact O-CB 3.21Å; A141-K146 PolarHBondContact O-N 3.04Å; A141-K146 VanDerWaalsContact O-N 3.07Å; A144-K146 HydrophobicContact CB-CG 4.35Å; A144-K146 PolarHBondContact O-N 3.41Å; K146-F148 HydrophobicContact CB-CD1 4.2Å; K146-F148 WeakPolarHBondContact O-CD1 3.22Å
147R96.7Very high97Very high179 Ų17944.4 Ų44.468%0.67523%0.232SC*.  trans-94.2123.4173.1-58172.6-64174.33.2107.5D121 G122D121-R147 WeakPolarHBondContact OD1-CB 3.34Å; D121-R147 PolarHBondContact OD1-N 2.94Å; D121-R147 IonicContact OD1-NE 3Å; D121-R147 IonicContact OD2-CZ 2.77Å; D121-R147 IonicContact OD2-NE 2.84Å; D121-R147 PolarHBondContact OD2-NE 3.43Å; D121-R147 IonicContact OD2-NH2 3.3Å; D121-R147 PolarHBondContact OD2-NH2 3.15Å; G122-R147 WeakPolarHBondContact CA-O 3.26Å; G122-R147 PolarHBondContact N-O 3.01Å
148F98.3Very high96.6Very high14 Ų1448 Ų486%0.06125%0.252CS..  trans-152163.3178.358.4-87.8000109.1I119 A123 I125 L138 A141 V142 K146 V150 V173I119-F148 HydrophobicContact CG2-CB 4.39Å; I119-F148 HydrophobicContact CG2-CD1 4.33Å; I119-F148 HydrophobicContact CG2-CG 4.35Å; A123-F148 CarbonylContact O-C 3.51Å; A123-F148 VanDerWaalsContact O-CA 3.23Å; A123-F148 WeakPolarHBondContact O-CA 3.23Å; A123-F148 WeakPolarHBondContact O-CB 3.33Å; I125-F148 HydrophobicContact CD1-CB 4.44Å; I125-F148 HydrophobicContact CD1-CD2 3.68Å; I125-F148 HydrophobicContact CD1-CE2 4.18Å; I125-F148 HydrophobicContact CD1-CG 4.16Å; I125-F148 HydrophobicContact CG1-CD2 4.46Å; L138-F148 HydrophobicContact CB-CE2 4.35Å; L138-F148 HydrophobicContact CB-CZ 4.19Å; L138-F148 HydrophobicContact CD2-CE2 3.75Å; L138-F148 HydrophobicContact CD2-CZ 4.14Å; A141-F148 HydrophobicContact CB-CD1 4.25Å; A141-F148 HydrophobicContact CB-CE1 3.49Å; A141-F148 VanDerWaalsContact CB-CE1 3.49Å; A141-F148 HydrophobicContact CB-CZ 3.96Å; V142-F148 HydrophobicContact CG2-CE1 3.9Å; V142-F148 HydrophobicContact CG2-CZ 3.81Å; K146-F148 HydrophobicContact CB-CD1 4.2Å; K146-F148 WeakPolarHBondContact O-CD1 3.22Å; F148-V150 HydrophobicContact CD2-CG2 3.75Å; F148-V150 HydrophobicContact CE2-CG2 3.69Å; F148-V173 HydrophobicContact CD2-CG1 4.05Å; F148-V173 HydrophobicContact CE2-CG1 3.63Å; F148-V173 HydrophobicContact CE2-CG2 4.24Å; F148-V173 HydrophobicContact CZ-CG1 4.27Å; F148-V173 HydrophobicContact CZ-CG2 4.04Å
149S98.4Very high96.5Very high36 Ų3650.8 Ų50.825%0.25227%0.266SS..EExtended strand (participates in β ladder)trans-118.2152.7174.656.90000110.1A123 T124 I125 P174A123-S149 PolarHBondContact O-N 3.19Å; T124-S149 PolarHBondContact OG1-OG 3.4Å; I125-S149 PolarHBondContact N-O 3.02Å; S149-P174 WeakPolarHBondContact CA-O 3.39Å
150V98.7Very high96.3Very high2 Ų249.9 Ų49.91%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-127.3128.5-176.2-175.70000111.1I125 T127 L138 F148 L168 V173 P174 V175 T176I125-V150 HydrophobicContact CB-CG2 4.4Å; I125-V150 CarbonylContact O-C 3.58Å; I125-V150 VanDerWaalsContact O-CA 3.3Å; I125-V150 WeakPolarHBondContact O-CA 3.45Å; T127-V150 HydrophobicContact CG2-CG1 3.7Å; L138-V150 HydrophobicContact CD1-CG2 4.3Å; F148-V150 HydrophobicContact CD2-CG2 3.75Å; F148-V150 HydrophobicContact CE2-CG2 3.69Å; V150-L168 HydrophobicContact CB-CD1 3.99Å; V150-L168 HydrophobicContact CG1-CD1 3.74Å; V150-L168 HydrophobicContact CG2-CD1 4.18Å; V150-V173 HydrophobicContact CG2-CG1 3.78Å; V150-P174 PolarHBondContact N-O 2.93Å; V150-V175 HydrophobicContact CB-CG2 4.33Å; V150-V175 CarbonylContact O-C 3.56Å; V150-V175 VanDerWaalsContact O-CA 3.23Å; V150-V175 WeakPolarHBondContact O-CA 3.39Å; V150-T176 PolarHBondContact O-N 3.3Å
151Y98.6Very high96.3Very high45 Ų4549 Ų4918%0.17626%0.257CS..EExtended strand (participates in β ladder)trans-95.5134.4160-69.6-70000109.1T124 I125 L126 T127 T176 V178 I186 K189T124-Y151 HydrophobicContact CG2-CD2 3.58Å; T124-Y151 HydrophobicContact CG2-CE2 3.48Å; T124-Y151 VanDerWaalsContact CG2-CE2 3.48Å; I125-Y151 PolarHBondContact O-N 3.34Å; L126-Y151 WeakPolarHBondContact CA-O 3.49Å; T127-Y151 PolarHBondContact N-O 2.94Å; Y151-T176 WeakPolarHBondContact CA-O 3.43Å; Y151-T176 HydrophobicContact CD1-CG2 3.99Å; Y151-T176 HydrophobicContact CE1-CG2 3.84Å; Y151-V178 HydrophobicContact CD1-CG1 3.81Å; Y151-I186 HydrophobicContact CD1-CD1 3.88Å; Y151-I186 HydrophobicContact CD1-CG1 3.69Å; Y151-I186 HydrophobicContact CD2-CD1 4.14Å; Y151-I186 HydrophobicContact CD2-CG1 3.63Å; Y151-I186 HydrophobicContact CE1-CD1 3.62Å; Y151-I186 HydrophobicContact CE1-CG1 3.97Å; Y151-I186 HydrophobicContact CE2-CD1 3.85Å; Y151-I186 HydrophobicContact CE2-CG1 3.86Å; Y151-I186 HydrophobicContact CG-CD1 4.16Å; Y151-I186 HydrophobicContact CG-CG1 3.55Å; Y151-K189 HydrophobicContact CE2-CB 4.31Å
152V98.4Very high96.2Very high0 Ų053.4 Ų53.40%028%0.276CS..EExtended strand (participates in β ladder)trans-129.9128.217661.10000110.4T127 M164 A165 V175 T176 V177 V178T127-V152 HydrophobicContact CG2-CB 3.85Å; T127-V152 HydrophobicContact CG2-CG2 3.89Å; T127-V152 WeakPolarHBondContact O-CA 3.25Å; V152-M164 HydrophobicContact CG2-CB 4.05Å; V152-M164 HydrophobicContact CG2-CG 4.03Å; V152-A165 HydrophobicContact CG1-CB 3.9Å; V152-V175 HydrophobicContact CG1-CG2 3.8Å; V152-T176 PolarHBondContact N-O 3.33Å; V152-V177 HydrophobicContact CG1-CG2 3.98Å; V152-V177 CarbonylContact O-C 3.6Å; V152-V177 VanDerWaalsContact O-CA 3.28Å; V152-V177 WeakPolarHBondContact O-CA 3.3Å; V152-V178 PolarHBondContact O-N 2.94Å
153T98.2Very high96.1Very high0 Ų055.9 Ų55.90%028%0.283CS..EExtended strand (participates in β ladder)trans-65.613817359.20000110.1T127 H128 A129 S155 G161 V178 D180 V183 M215T127-T153 PolarHBondContact O-N 3.23Å; H128-T153 WeakPolarHBondContact CA-OG1 3.16Å; H128-T153 PolarHBondContact ND1-OG1 3.2Å; A129-T153 PolarHBondContact N-OG1 2.8Å; T153-S155 PolarHBondContact O-N 2.82Å; T153-G161 VanDerWaalsContact O-CA 3.25Å; T153-G161 WeakPolarHBondContact O-CA 3.47Å; T153-V178 CarbonylContact C-O 3.51Å; T153-V178 WeakPolarHBondContact CA-O 3.48Å; T153-V178 HydrophobicContact CG2-CG2 4.29Å; T153-D180 WeakPolarHBondContact CB-OD1 3.21Å; T153-V183 HydrophobicContact CG2-CG2 3.53Å; T153-M215 HydrophobicContact CG2-CE 3.46Å; T153-M215 VanDerWaalsContact CG2-CE 3.46Å
154E97.2Very high96.1Very high30 Ų3052 Ų5214%0.1425%0.251CS..  trans-60-29.5179.764.8172.2-176.300113.8Q156 L159 G161 V177 V178 D180E154-Q156 HydrophobicContact CG-CG 4.39Å; E154-Q156 PolarHBondContact OE1-NE2 3.22Å; E154-L159 CarbonylContact O-C 3.43Å; E154-L159 VanDerWaalsContact O-C 3.28Å; E154-L159 VanDerWaalsContact O-CA 3.28Å; E154-L159 WeakPolarHBondContact O-CA 3.5Å; E154-G161 WeakPolarHBondContact O-CA 3.33Å; E154-G161 PolarHBondContact O-N 3.04Å; E154-V177 HydrophobicContact CB-CG1 3.72Å; E154-V178 PolarHBondContact N-O 3.46Å; E154-D180 PolarHBondContact N-OD1 3.33Å
155S94.6Very high96.2Very high0 Ų050.2 Ų50.20%024%0.236CC..  trans61.178.5178.9172.10000112.7T153 D158 L159 S160 D180 K209T153-S155 PolarHBondContact O-N 2.82Å; S155-D158 PolarHBondContact O-N 2.95Å; S155-D158 PolarHBondContact OG-OD1 2.83Å; S155-L159 WeakPolarHBondContact O-CA 3.5Å; S155-L159 PolarHBondContact O-N 3.46Å; S155-S160 PolarHBondContact OG-OG 2.69Å; S155-S160 VanDerWaalsContact OG-OG 3.11Å; S155-D180 WeakPolarHBondContact CA-OD1 3.36Å; S155-D180 WeakPolarHBondContact CA-OD2 3.07Å; S155-D180 PolarHBondContact N-OD1 2.93Å; S155-K209 WeakPolarHBondContact OG-CE 3.35Å
156Q93Very high96.2Very high90 Ų9048.2 Ų48.242%0.42123%0.228SC..THydrogen-bonded Turntrans-66.8153169.5-65.5-70.5-4.800111.5E154 L159 D180E154-Q156 HydrophobicContact CG-CG 4.39Å; E154-Q156 PolarHBondContact OE1-NE2 3.22Å; Q156-L159 VanDerWaalsContact NE2-CD2 3.34Å; Q156-D180 PolarHBondContact N-OD2 2.94Å
157P89.4Confident96.2Very high66 Ų6647 Ų4743%0.42923%0.227SC..THydrogen-bonded Turncis-90.1-4.3-1.935.9-35.9000114.1W272P157-W272 HydrophobicContact CG-CH2 3.58Å; P157-W272 HydrophobicContact CG-CZ2 4.12Å; P157-W272 HydrophobicContact CG-CZ3 4.16Å
158D91Very high96.2Very high77 Ų7738.5 Ų38.541%0.41219%0.194SC..THydrogen-bonded Turntrans-88.1-6.5-171.8683.4000114.7S155 S160 K209 W272S155-D158 PolarHBondContact O-N 2.95Å; S155-D158 PolarHBondContact OG-OD1 2.83Å; D158-S160 PolarHBondContact O-N 2.96Å; D158-S160 VanDerWaalsContact O-N 3.1Å; D158-S160 VanDerWaalsContact OD1-CB 3.24Å; D158-S160 WeakPolarHBondContact OD1-CB 3.36Å; D158-S160 PolarHBondContact OD1-N 3.33Å; D158-S160 PolarHBondContact OD1-OG 3.14Å; D158-K209 IonicContact OD1-NZ 2.83Å; D158-K209 PolarHBondContact OD1-NZ 2.89Å; D158-K209 IonicContact OD2-NZ 3.5Å; D158-K209 PolarHBondContact OD2-NZ 3.01Å; D158-W272 HydrophobicContact CB-CZ3 4.31Å
159L94.5Very high96.2Very high58 Ų5841.4 Ų41.430%0.30422%0.215SC..THydrogen-bonded Turntrans54.528.2-178.8-56.7176.9000112.9E154 S155 Q156 G161 K162E154-L159 CarbonylContact O-C 3.43Å; E154-L159 VanDerWaalsContact O-C 3.28Å; E154-L159 VanDerWaalsContact O-CA 3.28Å; E154-L159 WeakPolarHBondContact O-CA 3.5Å; S155-L159 WeakPolarHBondContact O-CA 3.5Å; S155-L159 PolarHBondContact O-N 3.46Å; Q156-L159 VanDerWaalsContact NE2-CD2 3.34Å; L159-G161 PolarHBondContact O-N 3.05Å; L159-G161 VanDerWaalsContact O-N 3.16Å; L159-K162 HydrophobicContact CB-CD 4.21Å; L159-K162 HydrophobicContact CB-CG 4.43Å; L159-K162 HydrophobicContact CD1-CD 4.36Å; L159-K162 HydrophobicContact CD2-CD 4.49Å; L159-K162 WeakPolarHBondContact O-CB 3.28Å; L159-K162 PolarHBondContact O-N 2.97Å
160S94.5Very high96.1Very high21 Ų2147.1 Ų47.115%0.14724%0.238CC..Hα-helixtrans-60.2-27.7-177.754.50000112.1Y130 S155 D158 K162 K163 M164Y130-S160 WeakPolarHBondContact CB-O 3.47Å; S155-S160 PolarHBondContact OG-OG 2.69Å; S155-S160 VanDerWaalsContact OG-OG 3.11Å; D158-S160 PolarHBondContact O-N 2.96Å; D158-S160 VanDerWaalsContact O-N 3.1Å; D158-S160 VanDerWaalsContact OD1-CB 3.24Å; D158-S160 WeakPolarHBondContact OD1-CB 3.36Å; D158-S160 PolarHBondContact OD1-N 3.33Å; D158-S160 PolarHBondContact OD1-OG 3.14Å; S160-K162 VanDerWaalsContact C-N 3.27Å; S160-K162 PolarHBondContact O-N 3.33Å; S160-K163 WeakPolarHBondContact O-CA 3.33Å; S160-K163 VanDerWaalsContact O-CB 3.26Å; S160-K163 WeakPolarHBondContact O-CB 3.24Å; S160-K163 PolarHBondContact O-N 3.34Å; S160-M164 PolarHBondContact O-N 3.19Å; S160-M164 VanDerWaalsContact O-N 3.14Å
161G96.4Very high96Very high0 Ų049.2 Ų49.20%025%0.249CC..Hα-helixtrans-58.9-34.3171.600000114.1T153 E154 L159 K163 M164 A165T153-G161 VanDerWaalsContact O-CA 3.25Å; T153-G161 WeakPolarHBondContact O-CA 3.47Å; E154-G161 WeakPolarHBondContact O-CA 3.33Å; E154-G161 PolarHBondContact O-N 3.04Å; L159-G161 PolarHBondContact O-N 3.05Å; L159-G161 VanDerWaalsContact O-N 3.16Å; G161-K163 VanDerWaalsContact C-N 3.29Å; G161-K163 PolarHBondContact O-N 3.38Å; G161-M164 WeakPolarHBondContact O-CB 3.45Å; G161-M164 PolarHBondContact O-N 2.93Å; G161-A165 PolarHBondContact O-N 3.48Å
162K96.5Very high95.9Very high91 Ų9154 Ų5440%0.39628%0.278SS..Hα-helixtrans-67.6-31.9174.8-63.9-175.4-178.6170.70111.7L159 S160 K166 V177L159-K162 HydrophobicContact CB-CD 4.21Å; L159-K162 HydrophobicContact CB-CG 4.43Å; L159-K162 HydrophobicContact CD1-CD 4.36Å; L159-K162 HydrophobicContact CD2-CD 4.49Å; L159-K162 WeakPolarHBondContact O-CB 3.28Å; L159-K162 PolarHBondContact O-N 2.97Å; S160-K162 VanDerWaalsContact C-N 3.27Å; S160-K162 PolarHBondContact O-N 3.33Å; K162-K166 WeakPolarHBondContact O-CG 3.43Å; K162-K166 PolarHBondContact O-N 2.8Å; K162-V177 HydrophobicContact CG-CG1 4.38Å
163K96Very high95.9Very high103 Ų10354.5 Ų54.545%0.44828%0.28SS..Hα-helixtrans-65.3-44172.1-174.9-175.2175.4-177.60110.7Y130 S160 G161 K166 A167Y130-K163 HydrophobicContact CD1-CD 4.19Å; Y130-K163 HydrophobicContact CD2-CB 4.2Å; Y130-K163 HydrophobicContact CD2-CD 3.95Å; Y130-K163 HydrophobicContact CD2-CG 3.88Å; Y130-K163 HydrophobicContact CE1-CD 4.27Å; Y130-K163 HydrophobicContact CE2-CD 4.03Å; Y130-K163 HydrophobicContact CE2-CG 3.99Å; Y130-K163 HydrophobicContact CG-CD 4.03Å; Y130-K163 HydrophobicContact CG-CG 4.38Å; S160-K163 WeakPolarHBondContact O-CA 3.33Å; S160-K163 VanDerWaalsContact O-CB 3.26Å; S160-K163 WeakPolarHBondContact O-CB 3.24Å; S160-K163 PolarHBondContact O-N 3.34Å; G161-K163 VanDerWaalsContact C-N 3.29Å; G161-K163 PolarHBondContact O-N 3.38Å; K163-K166 PolarHBondContact O-N 3.12Å; K163-A167 PolarHBondContact O-N 3.04Å
164M97.3Very high95.9Very high0 Ų058.6 Ų58.60%031%0.307CS..Hα-helixtrans-60.4-46.8174.9-179.863.4104.500111.4T127 Y130 S131 V134 L135 V152 S160 G161 K166 A167 L168T127-M164 HydrophobicContact CG2-CG 4.46Å; Y130-M164 HydrophobicContact CD2-CB 4Å; Y130-M164 HydrophobicContact CD2-SD 4.37Å; S131-M164 WeakPolarHBondContact O-CE 3.1Å; V134-M164 HydrophobicContact CB-CE 3.99Å; V134-M164 HydrophobicContact CG1-CE 3.91Å; L135-M164 HydrophobicContact CB-CE 4.29Å; L135-M164 HydrophobicContact CB-SD 4.15Å; L135-M164 HydrophobicContact CD1-SD 4.12Å; V152-M164 HydrophobicContact CG2-CB 4.05Å; V152-M164 HydrophobicContact CG2-CG 4.03Å; S160-M164 PolarHBondContact O-N 3.19Å; S160-M164 VanDerWaalsContact O-N 3.14Å; G161-M164 WeakPolarHBondContact O-CB 3.45Å; G161-M164 PolarHBondContact O-N 2.93Å; M164-K166 VanDerWaalsContact C-N 3.34Å; M164-K166 PolarHBondContact O-N 2.91Å; M164-A167 PolarHBondContact O-N 2.88Å; M164-A167 VanDerWaalsContact O-N 3.15Å; M164-L168 HydrophobicContact CG-CD1 3.99Å; M164-L168 HydrophobicContact CG-CG 4.47Å; M164-L168 WeakPolarHBondContact O-CG 3.28Å; M164-L168 PolarHBondContact O-N 3.07Å; M164-L168 HydrophobicContact SD-CD1 4.26Å; M164-L168 HydrophobicContact SD-CG 4.29Å
165A97.9Very high95.9Very high8 Ų858.6 Ų58.67%0.06631%0.309CS..Hα-helixtrans-58.3-45.3176.700000112.3V152 G161 A167 L168 C169 V175 V177V152-A165 HydrophobicContact CG1-CB 3.9Å; G161-A165 PolarHBondContact O-N 3.48Å; A165-A167 PolarHBondContact O-N 3.5Å; A165-L168 PolarHBondContact O-N 3.2Å; A165-C169 PolarHBondContact O-N 3.17Å; A165-C169 PolarHBondContact O-SG 2.68Å; A165-V175 HydrophobicContact CB-CG1 4.23Å; A165-V175 HydrophobicContact CB-CG2 4Å; A165-V177 HydrophobicContact CB-CG2 3.41Å; A165-V177 VanDerWaalsContact CB-CG2 3.41Å
166K97.6Very high96.1Very high145 Ų14562 Ų6263%0.6333%0.33SS*.Hα-helixtrans-57.1-48.5174.2-74.6177.5-177.7-176.60111.2K162 K163 M164 L168 C169 H170K162-K166 WeakPolarHBondContact O-CG 3.43Å; K162-K166 PolarHBondContact O-N 2.8Å; K163-K166 PolarHBondContact O-N 3.12Å; M164-K166 VanDerWaalsContact C-N 3.34Å; M164-K166 PolarHBondContact O-N 2.91Å; K166-L168 VanDerWaalsContact C-N 3.32Å; K166-L168 PolarHBondContact O-N 3.31Å; K166-C169 WeakPolarHBondContact O-CB 3.39Å; K166-C169 PolarHBondContact O-N 3.15Å; K166-H170 PolarHBondContact O-N 3.38Å; K166-H170 PolarHBondContact O-ND1 2.85Å
167A96.9Very high96.4Very high23 Ų2360.5 Ų60.519%0.1933%0.327CS..Hα-helixtrans-58.6-43.8179.100000112L135 K163 M164 A165 H170 L171L135-A167 HydrophobicContact CD1-CB 3.85Å; L135-A167 HydrophobicContact CD2-CB 3.88Å; K163-A167 PolarHBondContact O-N 3.04Å; M164-A167 PolarHBondContact O-N 2.88Å; M164-A167 VanDerWaalsContact O-N 3.15Å; A165-A167 PolarHBondContact O-N 3.5Å; A167-H170 PolarHBondContact O-N 3.24Å; A167-L171 PolarHBondContact O-N 2.83Å
168L97.7Very high96.8Very high0 Ų058.2 Ų58.20%031%0.312CS..Hα-helixtrans-67-36177.5-67.7173.1000113.3L135 L138 V150 M164 A165 K166 H170 L171 N172 V173 V175L135-L168 HydrophobicContact CD1-CD2 4.1Å; L138-L168 HydrophobicContact CB-CD2 4.08Å; L138-L168 HydrophobicContact CD1-CD1 4.17Å; L138-L168 HydrophobicContact CD1-CD2 3.67Å; V150-L168 HydrophobicContact CB-CD1 3.99Å; V150-L168 HydrophobicContact CG1-CD1 3.74Å; V150-L168 HydrophobicContact CG2-CD1 4.18Å; M164-L168 HydrophobicContact CG-CD1 3.99Å; M164-L168 HydrophobicContact CG-CG 4.47Å; M164-L168 WeakPolarHBondContact O-CG 3.28Å; M164-L168 PolarHBondContact O-N 3.07Å; M164-L168 HydrophobicContact SD-CD1 4.26Å; M164-L168 HydrophobicContact SD-CG 4.29Å; A165-L168 PolarHBondContact O-N 3.2Å; K166-L168 VanDerWaalsContact C-N 3.32Å; K166-L168 PolarHBondContact O-N 3.31Å; L168-H170 VanDerWaalsContact C-N 3.31Å; L168-H170 PolarHBondContact O-N 2.68Å; L168-L171 HydrophobicContact CD2-CD1 4.37Å; L168-L171 CarbonylContact O-C 3.54Å; L168-L171 WeakPolarHBondContact O-CB 3.4Å; L168-L171 PolarHBondContact O-N 3.23Å; L168-L171 VanDerWaalsContact O-N 3.08Å; L168-N172 PolarHBondContact O-N 3.15Å; L168-V173 HydrophobicContact CB-CB 4.32Å; L168-V173 HydrophobicContact CD2-CB 4.5Å; L168-V173 PolarHBondContact O-N 3.45Å; L168-V173 VanDerWaalsContact O-N 3.08Å; L168-V175 HydrophobicContact CB-CB 4.16Å; L168-V175 HydrophobicContact CB-CG1 4.19Å; L168-V175 HydrophobicContact CB-CG2 4.42Å; L168-V175 HydrophobicContact CD1-CB 4.4Å; L168-V175 HydrophobicContact CD1-CG2 3.94Å
169C97.3Very high97.1Very high74 Ų7459.6 Ų59.650%0.532%0.318SS..Hα-helixtrans-59.8-40.6172.6-72.80000112A165 K166 L171 N172 V175A165-C169 PolarHBondContact O-N 3.17Å; A165-C169 PolarHBondContact O-SG 2.68Å; K166-C169 WeakPolarHBondContact O-CB 3.39Å; K166-C169 PolarHBondContact O-N 3.15Å; C169-L171 PolarHBondContact O-N 3.26Å; C169-N172 PolarHBondContact O-N 3.1Å; C169-V175 WeakPolarHBondContact SG-CG1 3.26Å
170H96.8Very high97.2Very high156 Ų15658.3 Ų58.372%0.72231%0.312SS*.Hα-helixtrans-65.5-23.4176.9-67.590000112.6K166 A167 L168 N172K166-H170 PolarHBondContact O-N 3.38Å; K166-H170 PolarHBondContact O-ND1 2.85Å; A167-H170 PolarHBondContact O-N 3.24Å; L168-H170 VanDerWaalsContact C-N 3.31Å; L168-H170 PolarHBondContact O-N 2.68Å; H170-N172 VanDerWaalsContact C-N 3.29Å
171L96.3Very high97.2Very high47 Ų4761.9 Ų61.925%0.24634%0.343CS..THydrogen-bonded Turntrans-87.95.2175.3-60.8170.2000112.9L135 E139 A167 L168 C169 V173L135-L171 HydrophobicContact CD1-CD1 4Å; E139-L171 HydrophobicContact CG-CD1 3.36Å; E139-L171 HydrophobicContact CG-CD2 4.04Å; E139-L171 HydrophobicContact CG-CG 4.35Å; A167-L171 PolarHBondContact O-N 2.83Å; L168-L171 HydrophobicContact CD2-CD1 4.37Å; L168-L171 CarbonylContact O-C 3.54Å; L168-L171 WeakPolarHBondContact O-CB 3.4Å; L168-L171 PolarHBondContact O-N 3.23Å; L168-L171 VanDerWaalsContact O-N 3.08Å; C169-L171 PolarHBondContact O-N 3.26Å; L171-V173 HydrophobicContact CB-CG2 4.11Å; L171-V173 PolarHBondContact O-N 3.33Å
172N96.6Very high97.3Very high146 Ų14663 Ų6378%0.78135%0.352SS*.THydrogen-bonded Turntrans5828.4-174.2-56-64000113.9L168 C169 H170L168-N172 PolarHBondContact O-N 3.15Å; C169-N172 PolarHBondContact O-N 3.1Å; H170-N172 VanDerWaalsContact C-N 3.29Å
173V97.8Very high97.3Very high9 Ų958.9 Ų58.96%0.05533%0.334CS..  trans-88.8125.6174.4177.20000109V142 F148 V150 L168 L171 V175V142-V173 HydrophobicContact CG2-CG2 3.42Å; V142-V173 VanDerWaalsContact CG2-CG2 3.42Å; F148-V173 HydrophobicContact CD2-CG1 4.05Å; F148-V173 HydrophobicContact CE2-CG1 3.63Å; F148-V173 HydrophobicContact CE2-CG2 4.24Å; F148-V173 HydrophobicContact CZ-CG1 4.27Å; F148-V173 HydrophobicContact CZ-CG2 4.04Å; V150-V173 HydrophobicContact CG2-CG1 3.78Å; L168-V173 HydrophobicContact CB-CB 4.32Å; L168-V173 HydrophobicContact CD2-CB 4.5Å; L168-V173 PolarHBondContact O-N 3.45Å; L168-V173 VanDerWaalsContact O-N 3.08Å; L171-V173 HydrophobicContact CB-CG2 4.11Å; L171-V173 PolarHBondContact O-N 3.33Å; V173-V175 PolarHBondContact O-N 3.13Å; V173-V175 VanDerWaalsContact O-N 3.11Å
174P98.2Very high97.4Very high86 Ų8655.5 Ų55.556%0.55833%0.329SS*.  trans-58.3115.9172.4-23.133.2000110.5S149 V150S149-P174 WeakPolarHBondContact CA-O 3.39Å; V150-P174 PolarHBondContact N-O 2.93Å
175V98.3Very high97.3Very high30 Ų3063.7 Ų63.718%0.18236%0.361CS..EExtended strand (participates in β ladder)trans-129.6138.4-177.263.20000111.6V150 V152 A165 L168 C169 V173V150-V175 HydrophobicContact CB-CG2 4.33Å; V150-V175 CarbonylContact O-C 3.56Å; V150-V175 VanDerWaalsContact O-CA 3.23Å; V150-V175 WeakPolarHBondContact O-CA 3.39Å; V152-V175 HydrophobicContact CG1-CG2 3.8Å; A165-V175 HydrophobicContact CB-CG1 4.23Å; A165-V175 HydrophobicContact CB-CG2 4Å; L168-V175 HydrophobicContact CB-CB 4.16Å; L168-V175 HydrophobicContact CB-CG1 4.19Å; L168-V175 HydrophobicContact CB-CG2 4.42Å; L168-V175 HydrophobicContact CD1-CB 4.4Å; L168-V175 HydrophobicContact CD1-CG2 3.94Å; C169-V175 WeakPolarHBondContact SG-CG1 3.26Å; V173-V175 PolarHBondContact O-N 3.13Å; V173-V175 VanDerWaalsContact O-N 3.11Å
176T98.3Very high97.3Very high72 Ų7263.8 Ų63.844%0.44236%0.36SS..EExtended strand (participates in β ladder)trans-125.4124.6173.9-60.40000109.8V150 Y151 V152 V178V150-T176 PolarHBondContact O-N 3.3Å; Y151-T176 WeakPolarHBondContact CA-O 3.43Å; Y151-T176 HydrophobicContact CD1-CG2 3.99Å; Y151-T176 HydrophobicContact CE1-CG2 3.84Å; V152-T176 PolarHBondContact N-O 3.33Å; T176-V178 HydrophobicContact CG2-CG1 4.29Å
177V98.3Very high97.3Very high59 Ų5956.9 Ų56.936%0.35833%0.33SS..EExtended strand (participates in β ladder)trans-79.9129.4172.4-1770000108.8V152 E154 K162 A165V152-V177 HydrophobicContact CG1-CG2 3.98Å; V152-V177 CarbonylContact O-C 3.6Å; V152-V177 VanDerWaalsContact O-CA 3.28Å; V152-V177 WeakPolarHBondContact O-CA 3.3Å; E154-V177 HydrophobicContact CB-CG1 3.72Å; K162-V177 HydrophobicContact CG-CG1 4.38Å; A165-V177 HydrophobicContact CB-CG2 3.41Å; A165-V177 VanDerWaalsContact CB-CG2 3.41Å
178V97.9Very high97.3Very high18 Ų1863 Ų6311%0.10936%0.355CS..EExtended strand (participates in β ladder)trans-118.3155.2178.6-60.60000110.9Y151 V152 T153 E154 T176 A182 I186Y151-V178 HydrophobicContact CD1-CG1 3.81Å; V152-V178 PolarHBondContact O-N 2.94Å; T153-V178 CarbonylContact C-O 3.51Å; T153-V178 WeakPolarHBondContact CA-O 3.48Å; T153-V178 HydrophobicContact CG2-CG2 4.29Å; E154-V178 PolarHBondContact N-O 3.46Å; T176-V178 HydrophobicContact CG2-CG1 4.29Å; V178-A182 HydrophobicContact CB-CB 4.42Å; V178-I186 HydrophobicContact CG1-CG1 4.33Å; V178-I186 HydrophobicContact CG2-CG2 4.48Å
179L97.5Very high97.3Very high105 Ų10568.2 Ų68.255%0.5538%0.378SS..  trans-63.6148.6171.9-61.9175.5000110.3A181 A182L179-A181 PolarHBondContact O-N 3.38Å; L179-A182 HydrophobicContact CB-CB 4.04Å; L179-A182 WeakPolarHBondContact O-CB 3.36Å; L179-A182 PolarHBondContact O-N 3.48Å
180D96.4Very high97.3Very high32 Ų3264.7 Ų64.717%0.17135%0.354CS..G310 helixtrans-60.5-33.6176.8-60.8-21.9000111.2T153 E154 S155 Q156 A182 V183T153-D180 WeakPolarHBondContact CB-OD1 3.21Å; E154-D180 PolarHBondContact N-OD1 3.33Å; S155-D180 WeakPolarHBondContact CA-OD1 3.36Å; S155-D180 WeakPolarHBondContact CA-OD2 3.07Å; S155-D180 PolarHBondContact N-OD1 2.93Å; Q156-D180 PolarHBondContact N-OD2 2.94Å; D180-A182 VanDerWaalsContact C-N 3.31Å; D180-A182 PolarHBondContact O-N 2.96Å; D180-V183 VanDerWaalsContact O-CG2 3.25Å; D180-V183 WeakPolarHBondContact O-CG2 3.39Å
181A96.3Very high97.4Very high96 Ų9661.2 Ų61.279%0.79334%0.34SS*.G310 helixtrans-74-15.8174.400000114.2L179 V183L179-A181 PolarHBondContact O-N 3.38Å; A181-V183 VanDerWaalsContact C-N 3.28Å; A181-V183 PolarHBondContact O-N 3.38Å
182A96.8Very high97.5Very high24 Ų2459.4 Ų59.420%0.19833%0.331CS..G310 helixtrans-86.12.9-178.500000113.3V178 L179 D180 G184 Y185 I186V178-A182 HydrophobicContact CB-CB 4.42Å; L179-A182 HydrophobicContact CB-CB 4.04Å; L179-A182 WeakPolarHBondContact O-CB 3.36Å; L179-A182 PolarHBondContact O-N 3.48Å; D180-A182 VanDerWaalsContact C-N 3.31Å; D180-A182 PolarHBondContact O-N 2.96Å; A182-G184 VanDerWaalsContact C-N 3.33Å; A182-G184 PolarHBondContact O-N 3.19Å; A182-Y185 PolarHBondContact O-N 3.12Å; A182-Y185 VanDerWaalsContact O-N 3.13Å; A182-I186 PolarHBondContact O-N 2.95Å
183V97.6Very high97.6Very high3 Ų352.5 Ų52.52%0.01829%0.294CS..Hα-helixtrans-55.8-45.3-179.3169.30000111.9L126 T153 D180 A181 Y185 I186 M187 M215 C218L126-V183 HydrophobicContact CD2-CG1 4.37Å; T153-V183 HydrophobicContact CG2-CG2 3.53Å; D180-V183 VanDerWaalsContact O-CG2 3.25Å; D180-V183 WeakPolarHBondContact O-CG2 3.39Å; A181-V183 VanDerWaalsContact C-N 3.28Å; A181-V183 PolarHBondContact O-N 3.38Å; V183-Y185 VanDerWaalsContact C-N 3.35Å; V183-Y185 PolarHBondContact O-N 3.17Å; V183-I186 PolarHBondContact O-N 2.68Å; V183-M187 HydrophobicContact CG1-CE 4.12Å; V183-M187 WeakPolarHBondContact O-CB 3.32Å; V183-M187 PolarHBondContact O-N 2.88Å; V183-M215 HydrophobicContact CG1-CB 3.96Å; V183-M215 HydrophobicContact CG1-CE 4.48Å; V183-M215 HydrophobicContact CG1-CG 3.94Å; V183-M215 HydrophobicContact CG2-CE 4.08Å; V183-C218 HydrophobicContact CG1-CB 4.31Å
184G96.8Very high97.6Very high33 Ų3352 Ų5234%0.3429%0.291SS..Hα-helixtrans-64.3-38.2177.800000113.2A182 Q222A182-G184 VanDerWaalsContact C-N 3.33Å; A182-G184 PolarHBondContact O-N 3.19Å; G184-Q222 PolarHBondContact O-NE2 3.27Å
185Y97Very high97.7Very high172 Ų17248 Ų4868%0.67527%0.265SS*.Hα-helixtrans-68.8-40.4178.2177.7-97.3000112.1A182 V183A182-Y185 PolarHBondContact O-N 3.12Å; A182-Y185 VanDerWaalsContact O-N 3.13Å; V183-Y185 VanDerWaalsContact C-N 3.35Å; V183-Y185 PolarHBondContact O-N 3.17Å
186I97.4Very high97.6Very high9 Ų946.6 Ų46.65%0.04626%0.257CS..Hα-helixtrans-82.6-20-177-154.364.2000113.5L126 Y151 V178 A182 V183 E188 K189 A190L126-I186 HydrophobicContact CD1-CG2 3.97Å; L126-I186 HydrophobicContact CD2-CG2 4.05Å; Y151-I186 HydrophobicContact CD1-CD1 3.88Å; Y151-I186 HydrophobicContact CD1-CG1 3.69Å; Y151-I186 HydrophobicContact CD2-CD1 4.14Å; Y151-I186 HydrophobicContact CD2-CG1 3.63Å; Y151-I186 HydrophobicContact CE1-CD1 3.62Å; Y151-I186 HydrophobicContact CE1-CG1 3.97Å; Y151-I186 HydrophobicContact CE2-CD1 3.85Å; Y151-I186 HydrophobicContact CE2-CG1 3.86Å; Y151-I186 HydrophobicContact CG-CD1 4.16Å; Y151-I186 HydrophobicContact CG-CG1 3.55Å; V178-I186 HydrophobicContact CG1-CG1 4.33Å; V178-I186 HydrophobicContact CG2-CG2 4.48Å; A182-I186 PolarHBondContact O-N 2.95Å; V183-I186 PolarHBondContact O-N 2.68Å; I186-E188 PolarHBondContact O-N 3.02Å; I186-E188 VanDerWaalsContact O-N 3.16Å; I186-K189 HydrophobicContact CD1-CD 4Å; I186-K189 PolarHBondContact O-N 2.88Å; I186-A190 PolarHBondContact O-N 3.38Å
187M98Very high97.5Very high0 Ų043.2 Ų43.20%024%0.237CC..Hα-helixtrans-56.3-33.3-177.8-169.861.866.900112.8L126 V183 K189 A190 V193 M215 C218 A219 Q222 K224L126-M187 HydrophobicContact CD2-CE 3.57Å; L126-M187 HydrophobicContact CD2-SD 4.23Å; V183-M187 HydrophobicContact CG1-CE 4.12Å; V183-M187 WeakPolarHBondContact O-CB 3.32Å; V183-M187 PolarHBondContact O-N 2.88Å; M187-K189 PolarHBondContact O-N 3.31Å; M187-A190 PolarHBondContact O-N 3.17Å; M187-A190 VanDerWaalsContact O-N 3.14Å; M187-V193 HydrophobicContact CE-CG2 3.86Å; M187-V193 HydrophobicContact SD-CG2 3.75Å; M187-M215 HydrophobicContact CE-CG 4.03Å; M187-M215 WeakPolarHBondContact CE-O 3.35Å; M187-C218 HydrophobicContact CE-CB 3.81Å; M187-C218 HydrophobicContact CG-CB 4.39Å; M187-A219 HydrophobicContact CE-CB 3.9Å; M187-A219 HydrophobicContact SD-CB 3.91Å; M187-Q222 HydrophobicContact CG-CB 4.25Å; M187-Q222 HydrophobicContact CG-CG 4.3Å; M187-Q222 PolarHBondContact O-OE1 3.31Å; M187-K224 HydrophobicContact CG-CG 4.15Å; M187-K224 WeakPolarHBondContact O-CE 3.18Å; M187-K224 HydrophobicContact SD-CB 4.22Å; M187-K224 HydrophobicContact SD-CG 4.07Å
188E96.5Very high97.3Very high152 Ų15243.9 Ų43.971%0.7124%0.236SC*.THydrogen-bonded Turntrans-60.4-39.5179.8-173.9-179.417700111.3I186 K224I186-E188 PolarHBondContact O-N 3.02Å; I186-E188 VanDerWaalsContact O-N 3.16Å; E188-K224 PolarHBondContact O-NZ 3.4Å
189K97.3Very high97.1Very high109 Ų10943 Ų4347%0.47423%0.23SC..THydrogen-bonded Turntrans-79.5-20.4-180-56.9-170.1-173.8179.40113.3T124 Y151 I186 M187T124-K189 WeakPolarHBondContact CB-O 3.48Å; T124-K189 VanDerWaalsContact CG2-O 3.31Å; T124-K189 WeakPolarHBondContact CG2-O 3.33Å; Y151-K189 HydrophobicContact CE2-CB 4.31Å; I186-K189 HydrophobicContact CD1-CD 4Å; I186-K189 PolarHBondContact O-N 2.88Å; M187-K189 PolarHBondContact O-N 3.31Å
190A98.2Very high97Very high0 Ų038 Ų380%020%0.204CC..  trans-78.9136.5178.500000110.4L126 I186 M187 K224L126-A190 HydrophobicContact CB-CB 3.88Å; I186-A190 PolarHBondContact O-N 3.38Å; M187-A190 PolarHBondContact O-N 3.17Å; M187-A190 VanDerWaalsContact O-N 3.14Å; A190-K224 VanDerWaalsContact O-CD 3.28Å; A190-K224 WeakPolarHBondContact O-CD 3.3Å; A190-K224 WeakPolarHBondContact O-CE 3.35Å; A190-K224 PolarHBondContact O-NZ 3.23Å
191D98.4Very high97Very high83 Ų8336.5 Ų36.544%0.44420%0.196SC..SBendtrans-84.6-31.9172.7-66.1-52.3000111.6A123 T124 P225A123-D191 WeakPolarHBondContact CA-OD2 3.45Å; T124-D191 PolarHBondContact N-OD2 3.35Å; T124-D191 PolarHBondContact O-N 3.41Å; D191-P225 VanDerWaalsContact O-CD 3.29Å; D191-P225 WeakPolarHBondContact O-CD 3.49Å
192L98.3Very high96.9Very high10 Ų1034.1 Ų34.15%0.05217%0.168CC..EExtended strand (participates in β ladder)trans-155.1156.9-178.564.390.4000111.1T124 I125 L126 I194 P225 Y227T124-L192 PolarHBondContact O-N 3.32Å; I125-L192 HydrophobicContact CB-CD1 4.32Å; I125-L192 HydrophobicContact CG1-CD1 3.97Å; I125-L192 HydrophobicContact CG1-CG 4.33Å; I125-L192 HydrophobicContact CG2-CD1 3.89Å; L126-L192 PolarHBondContact N-O 3.07Å; L192-I194 HydrophobicContact CD1-CD1 3.61Å; L192-I194 HydrophobicContact CD1-CG1 3.36Å; L192-P225 HydrophobicContact CB-CG 3.69Å; L192-Y227 HydrophobicContact CB-CE2 4.4Å; L192-Y227 HydrophobicContact CD1-CD2 4.34Å; L192-Y227 HydrophobicContact CD2-CE2 4.43Å
193V98.7Very high96.7Very high0 Ų034.5 Ų34.50%017%0.167CC..EExtended strand (participates in β ladder)trans-110.9133.6174.2-179.70000109.4L126 M187 V195 M215 A219 P225 F226 Y227L126-V193 HydrophobicContact CB-CG2 4.25Å; L126-V193 HydrophobicContact CD2-CG2 4.32Å; L126-V193 CarbonylContact O-C 3.57Å; L126-V193 VanDerWaalsContact O-CA 3.3Å; L126-V193 WeakPolarHBondContact O-CA 3.18Å; M187-V193 HydrophobicContact CE-CG2 3.86Å; M187-V193 HydrophobicContact SD-CG2 3.75Å; V193-V195 HydrophobicContact CG1-CG1 3.94Å; V193-M215 HydrophobicContact CG1-CG 3.94Å; V193-M215 HydrophobicContact CG1-SD 3.46Å; V193-M215 WeakPolarHBondContact CG1-SD 3.35Å; V193-A219 HydrophobicContact CG2-CB 3.92Å; V193-P225 PolarHBondContact N-O 3.21Å; V193-F226 HydrophobicContact CB-CD2 3.76Å; V193-F226 HydrophobicContact CB-CE2 4.35Å; V193-F226 HydrophobicContact CB-CG 4.44Å; V193-F226 HydrophobicContact CG1-CD2 3.49Å; V193-F226 VanDerWaalsContact CG1-CD2 3.49Å; V193-F226 HydrophobicContact CG1-CE2 3.58Å; V193-F226 HydrophobicContact CG1-CG 4.43Å; V193-F226 HydrophobicContact CG2-CD2 4.37Å; V193-Y227 PolarHBondContact O-N 3.27Å
194I98.5Very high96.6Very high0 Ų034.3 Ų34.30%017%0.166CC..EExtended strand (participates in β ladder)trans-125.3124.2170.8-54.2178.7000108.4I119 I125 L126 T127 V134 L192 Y227 V229I119-I194 HydrophobicContact CD1-CD1 3.83Å; I119-I194 HydrophobicContact CG1-CD1 3.93Å; I125-I194 HydrophobicContact CD1-CD1 4.41Å; I125-I194 HydrophobicContact CG2-CB 4.35Å; I125-I194 HydrophobicContact CG2-CD1 4.1Å; I125-I194 HydrophobicContact CG2-CG1 4.06Å; L126-I194 PolarHBondContact O-N 3.44Å; T127-I194 VanDerWaalsContact CA-O 3.29Å; T127-I194 WeakPolarHBondContact CA-O 3.41Å; T127-I194 WeakPolarHBondContact CB-O 3.36Å; T127-I194 PolarHBondContact OG1-O 2.91Å; V134-I194 HydrophobicContact CG1-CG2 4.23Å; V134-I194 HydrophobicContact CG2-CG2 4.16Å; L192-I194 HydrophobicContact CD1-CD1 3.61Å; L192-I194 HydrophobicContact CD1-CG1 3.36Å; I194-Y227 WeakPolarHBondContact CA-O 3.49Å; I194-Y227 HydrophobicContact CG1-CD2 4.32Å; I194-V229 HydrophobicContact CG2-CG1 4.21Å; I194-V229 HydrophobicContact CG2-CG2 4.07Å
195V98.5Very high96.6Very high0 Ų032.8 Ų32.80%015%0.15CC..EExtended strand (participates in β ladder)trans-127.2153.1175.9-61.20000111.2H128 V193 I206 T212 M215 F226 Y227 A228 V229H128-V195 HydrophobicContact CB-CG1 3.92Å; V193-V195 HydrophobicContact CG1-CG1 3.94Å; V195-I206 HydrophobicContact CG2-CD1 3.92Å; V195-T212 HydrophobicContact CB-CG2 4.39Å; V195-T212 HydrophobicContact CG1-CG2 4.38Å; V195-T212 HydrophobicContact CG2-CG2 4.04Å; V195-M215 HydrophobicContact CG1-SD 3.95Å; V195-F226 HydrophobicContact CB-CZ 4.3Å; V195-F226 HydrophobicContact CG1-CE2 4.12Å; V195-F226 HydrophobicContact CG1-CZ 3.95Å; V195-F226 HydrophobicContact CG2-CE1 3.55Å; V195-F226 HydrophobicContact CG2-CE2 4.28Å; V195-F226 HydrophobicContact CG2-CZ 3.37Å; V195-Y227 PolarHBondContact N-O 2.97Å; V195-A228 HydrophobicContact CG2-CB 4.42Å; V195-A228 CarbonylContact O-C 3.57Å; V195-A228 WeakPolarHBondContact O-CA 3.36Å; V195-V229 WeakPolarHBondContact O-CG2 2.9Å; V195-V229 PolarHBondContact O-N 3.4Å
196G97Very high96.6Very high2 Ų224.6 Ų24.62%0.02112%0.118CC..EExtended strand (participates in β ladder)trans-73.7174.7163.900000111.8N208 V229G196-N208 PolarHBondContact O-ND2 3.2Å; G196-N208 PolarHBondContact O-OD1 2.99Å; G196-V229 WeakPolarHBondContact CA-O 3.12Å
197A96.3Very high96.6Very high1 Ų124.1 Ų24.11%0.00812%0.116CC..  trans-134.3145.2161.200000110.7V200 I206 V229 A230 K234A197-V200 HydrophobicContact CB-CG2 4.35Å; A197-I206 HydrophobicContact CB-CB 3.92Å; A197-I206 HydrophobicContact CB-CD1 4.37Å; A197-I206 HydrophobicContact CB-CG2 3.99Å; A197-V229 PolarHBondContact N-O 2.84Å; A197-A230 HydrophobicContact CB-CB 3.94Å; A197-K234 WeakPolarHBondContact O-CD 3.07Å; A197-K234 PolarHBondContact O-NZ 2.88Å
198E93.4Very high96.5Very high72 Ų7224.6 Ų24.634%0.33612%0.118SC..SBendtrans-81.1-36.9167.7-70.2-58142.900110.5V63 I207V63-E198 WeakPolarHBondContact CB-O 3.23Å; E198-I207 WeakPolarHBondContact CB-O 3.49Å; E198-I207 PolarHBondContact N-O 3.4Å
199G94.6Very high96.5Very high0 Ų018.6 Ų18.60%09%0.09CC..EExtended strand (participates in β ladder)trans-145.6150.217500000112.6I206 I207 K234G199-I206 CarbonylContact O-C 3.28Å; G199-I206 WeakPolarHBondContact O-CA 3.5Å; G199-I207 PolarHBondContact N-O 3.41Å; G199-I207 PolarHBondContact O-N 3.12Å; G199-K234 WeakPolarHBondContact CA-O 3.44Å
200V96.2Very high96.4Very high0 Ų016.3 Ų16.30%08%0.082CC..EExtended strand (participates in β ladder)trans-115.8125.6169.7-1740000108.2A197 I206 A230 K234 F235 V236 L284 V296A197-V200 HydrophobicContact CB-CG2 4.35Å; V200-I206 HydrophobicContact CG1-CG2 4.48Å; V200-I206 HydrophobicContact CG2-CG2 4.17Å; V200-A230 HydrophobicContact CG2-CB 3.66Å; V200-K234 PolarHBondContact N-O 3Å; V200-F235 HydrophobicContact CB-CD1 3.57Å; V200-F235 HydrophobicContact CB-CE1 3.61Å; V200-F235 HydrophobicContact CB-CG 4.22Å; V200-F235 HydrophobicContact CB-CZ 4.26Å; V200-F235 HydrophobicContact CG1-CD1 4.24Å; V200-F235 HydrophobicContact CG1-CE1 3.93Å; V200-F235 HydrophobicContact CG1-CZ 4.08Å; V200-F235 HydrophobicContact CG2-CD1 3.79Å; V200-F235 HydrophobicContact CG2-CE1 3.53Å; V200-F235 HydrophobicContact CG2-CZ 4.41Å; V200-F235 WeakPolarHBondContact O-CA 3.39Å; V200-V236 VanDerWaalsContact O-CG2 3.28Å; V200-V236 WeakPolarHBondContact O-CG2 3.35Å; V200-V236 PolarHBondContact O-N 2.71Å; V200-L284 HydrophobicContact CG1-CD2 3.56Å; V200-L284 HydrophobicContact CG2-CD2 4.24Å; V200-V296 HydrophobicContact CG1-CG1 3.82Å; V200-V296 HydrophobicContact CG1-CG2 4.35Å
201V95.1Very high96.3Very high0 Ų016.6 Ų16.60%09%0.085CC..  trans-95165.5-174-63.70000111.7N203 G204 G205 I207 V236 L238 P240 Y275 V296V201-N203 VanDerWaalsContact C-N 3.25Å; V201-N203 WeakPolarHBondContact CG2-OD1 3.31Å; V201-N203 PolarHBondContact O-N 3.43Å; V201-N203 VanDerWaalsContact O-N 3.15Å; V201-G204 PolarHBondContact O-N 2.84Å; V201-G205 VanDerWaalsContact CG2-C 3.47Å; V201-G205 WeakPolarHBondContact CG2-O 3.19Å; V201-G205 PolarHBondContact N-O 3.32Å; V201-I207 HydrophobicContact CG1-CD1 3.84Å; V201-I207 HydrophobicContact CG1-CG1 4.05Å; V201-V236 HydrophobicContact CG1-CG2 3.89Å; V201-L238 VanDerWaalsContact CB-O 3.32Å; V201-L238 WeakPolarHBondContact CB-O 3.27Å; V201-L238 HydrophobicContact CG1-CB 4.19Å; V201-L238 HydrophobicContact CG1-CD2 4.06Å; V201-L238 HydrophobicContact CG1-CG 4.43Å; V201-P240 HydrophobicContact CB-CG 4.23Å; V201-P240 HydrophobicContact CG1-CG 3.91Å; V201-P240 HydrophobicContact CG2-CG 4.1Å; V201-Y275 HydrophobicContact CG2-CD2 4.37Å; V201-Y275 HydrophobicContact CG2-CE2 3.55Å; V201-V296 WeakPolarHBondContact O-CG1 3.19Å
202E93.7Very high96.2Very high46 Ų4612.6 Ų12.622%0.2156%0.064CC..THydrogen-bonded Turntrans-60.7-31.4-168.7-57.3-163.3161.800114G204 R237 L238 F239 L300E202-G204 PolarHBondContact O-N 2.9Å; E202-R237 WeakPolarHBondContact OE1-CA 3.47Å; E202-R237 VanDerWaalsContact OE1-CB 3.3Å; E202-R237 WeakPolarHBondContact OE1-CB 3.25Å; E202-R237 IonicContact OE1-NE 2.74Å; E202-R237 PolarHBondContact OE1-NE 3.06Å; E202-L238 WeakPolarHBondContact CG-O 3.41Å; E202-L238 PolarHBondContact N-O 3.1Å; E202-F239 HydrophobicContact CB-CD2 4.03Å; E202-L300 HydrophobicContact CB-CD1 4.02Å; E202-L300 HydrophobicContact CG-CD1 3.85Å
203N93Very high96.2Very high32 Ų3214.2 Ų14.217%0.1717%0.072CC..THydrogen-bonded Turntrans-80.84.4177.769.29.2000114.2V201 G205 F239 P240 Y275 P278V201-N203 VanDerWaalsContact C-N 3.25Å; V201-N203 WeakPolarHBondContact CG2-OD1 3.31Å; V201-N203 PolarHBondContact O-N 3.43Å; V201-N203 VanDerWaalsContact O-N 3.15Å; N203-G205 VanDerWaalsContact C-N 3.34Å; N203-G205 PolarHBondContact OD1-N 3.3Å; N203-F239 HydrophobicContact CB-CD2 4.18Å; N203-F239 HydrophobicContact CB-CE1 4.41Å; N203-F239 HydrophobicContact CB-CE2 3.67Å; N203-F239 HydrophobicContact CB-CZ 3.79Å; N203-P240 PolarHBondContact ND2-O 2.99Å; N203-Y275 VanDerWaalsContact CG-OH 3.31Å; N203-Y275 PolarHBondContact ND2-OH 3.41Å; N203-Y275 PolarHBondContact OD1-OH 2.9Å; N203-P278 VanDerWaalsContact O-CB 3.22Å; N203-P278 WeakPolarHBondContact O-CB 3.43Å; N203-P278 WeakPolarHBondContact O-CG 3.46Å
204G95.6Very high96.1Very high0 Ų018.2 Ų18.20%09%0.091CC..SBendtrans83.42.9-179.300000115.3V201 E202 I281 P293V201-G204 PolarHBondContact O-N 2.84Å; E202-G204 PolarHBondContact O-N 2.9Å; G204-I281 WeakPolarHBondContact O-CD1 3.44Å; G204-P293 WeakPolarHBondContact CA-O 3.44Å
205G97.4Very high96.1Very high0 Ų018.2 Ų18.20%09%0.091CC..  trans-71.1170.616700000112.1V201 N203 T276V201-G205 VanDerWaalsContact CG2-C 3.47Å; V201-G205 WeakPolarHBondContact CG2-O 3.19Å; V201-G205 PolarHBondContact N-O 3.32Å; N203-G205 VanDerWaalsContact C-N 3.34Å; N203-G205 PolarHBondContact OD1-N 3.3Å; G205-T276 CarbonylContact C-O 3.52Å; G205-T276 WeakPolarHBondContact CA-O 3.41Å
206I97.9Very high96.1Very high0 Ų018.2 Ų18.20%09%0.091CC..EExtended strand (participates in β ladder)trans-124.5148.2178.863.5172.7000111.5V195 A197 G199 V200 N208 T212 F226 A228 Y275 T276 I281 L284V195-I206 HydrophobicContact CG2-CD1 3.92Å; A197-I206 HydrophobicContact CB-CB 3.92Å; A197-I206 HydrophobicContact CB-CD1 4.37Å; A197-I206 HydrophobicContact CB-CG2 3.99Å; G199-I206 CarbonylContact O-C 3.28Å; G199-I206 WeakPolarHBondContact O-CA 3.5Å; V200-I206 HydrophobicContact CG1-CG2 4.48Å; V200-I206 HydrophobicContact CG2-CG2 4.17Å; I206-N208 HydrophobicContact CD1-CB 4.38Å; I206-T212 HydrophobicContact CD1-CG2 4.03Å; I206-F226 HydrophobicContact CD1-CE1 4.3Å; I206-A228 HydrophobicContact CD1-CB 3.95Å; I206-A228 HydrophobicContact CG2-CB 4.1Å; I206-Y275 CarbonylContact O-C 3.44Å; I206-Y275 WeakPolarHBondContact O-CA 3.32Å; I206-Y275 WeakPolarHBondContact O-CD2 3.43Å; I206-T276 HydrophobicContact CG1-CG2 4.41Å; I206-T276 PolarHBondContact N-O 2.96Å; I206-T276 PolarHBondContact O-N 3.01Å; I206-I281 HydrophobicContact CB-CD1 4.38Å; I206-I281 HydrophobicContact CD1-CD1 4.49Å; I206-I281 HydrophobicContact CG1-CD1 3.97Å; I206-I281 HydrophobicContact CG2-CD1 3.9Å; I206-L284 HydrophobicContact CG2-CD2 4.12Å
207I96.8Very high96.2Very high0 Ų021.5 Ų21.50%011%0.11CC..EExtended strand (participates in β ladder)trans-102.4122.5163.3-61.8169.5000106.2E198 G199 V201 L238 V246 F250 V273 D274E198-I207 WeakPolarHBondContact CB-O 3.49Å; E198-I207 PolarHBondContact N-O 3.4Å; G199-I207 PolarHBondContact N-O 3.41Å; G199-I207 PolarHBondContact O-N 3.12Å; V201-I207 HydrophobicContact CG1-CD1 3.84Å; V201-I207 HydrophobicContact CG1-CG1 4.05Å; I207-L238 HydrophobicContact CD1-CD2 3.82Å; I207-V246 HydrophobicContact CD1-CG1 4.04Å; I207-F250 HydrophobicContact CD1-CD2 4.36Å; I207-V273 HydrophobicContact CG2-CB 3.78Å; I207-V273 HydrophobicContact CG2-CG1 4.3Å; I207-V273 HydrophobicContact CG2-CG2 3.68Å; I207-D274 WeakPolarHBondContact CA-O 3.42Å
208N96.3Very high96.3Very high10 Ų1023.1 Ų23.15%0.05312%0.121CC..EExtended strand (participates in β ladder)trans-148173.1179.2-167.740.2000110.6G196 I206 I210 T212 V273 D274G196-N208 PolarHBondContact O-ND2 3.2Å; G196-N208 PolarHBondContact O-OD1 2.99Å; I206-N208 HydrophobicContact CD1-CB 4.38Å; N208-I210 PolarHBondContact O-N 2.89Å; N208-T212 HydrophobicContact CB-CG2 4.02Å; N208-T212 WeakPolarHBondContact CB-OG1 3.24Å; N208-T212 PolarHBondContact ND2-OG1 3.01Å; N208-V273 CarbonylContact O-C 3.59Å; N208-V273 WeakPolarHBondContact O-CA 3.48Å; N208-V273 WeakPolarHBondContact O-CB 3.42Å; N208-D274 PolarHBondContact N-O 3.29Å; N208-D274 VanDerWaalsContact N-O 3.09Å; N208-D274 PolarHBondContact O-N 2.93Å
209K95.1Very high96.5Very high26 Ų2619.7 Ų19.711%0.11311%0.105CC..EExtended strand (participates in β ladder)trans-41.3135.4176.4-172.477-176.5-158.60112.3H128 A129 S155 D158 G211 T212 W272H128-K209 PolarHBondContact NE2-O 3.24Å; A129-K209 HydrophobicContact CB-CG 4.13Å; S155-K209 WeakPolarHBondContact OG-CE 3.35Å; D158-K209 IonicContact OD1-NZ 2.83Å; D158-K209 PolarHBondContact OD1-NZ 2.89Å; D158-K209 IonicContact OD2-NZ 3.5Å; D158-K209 PolarHBondContact OD2-NZ 3.01Å; K209-G211 PolarHBondContact O-N 2.89Å; K209-T212 WeakPolarHBondContact O-CB 3.4Å; K209-T212 PolarHBondContact O-N 3.08Å; K209-T212 VanDerWaalsContact O-N 3.11Å; K209-T212 PolarHBondContact O-OG1 3.04Å; K209-W272 WeakPolarHBondContact CA-O 3.49Å
210I95.2Very high96.7Very high61 Ų6125.2 Ų25.231%0.31313%0.129SC..THydrogen-bonded Turntrans-51.5126178.5-17260.7000110.6H128 N208 P271 W272 D274H128-I210 PolarHBondContact NE2-O 3.3Å; N208-I210 PolarHBondContact O-N 2.89Å; I210-P271 HydrophobicContact CD1-CG 4.44Å; I210-W272 PolarHBondContact N-O 3.46Å; I210-D274 HydrophobicContact CD1-CB 3.79Å
211G95.9Very high96.8Very high5 Ų529 Ų295%0.05216%0.161CC..THydrogen-bonded Turntrans109.9-6.9-171.900000113.9K209 Q214 M215 D274K209-G211 PolarHBondContact O-N 2.89Å; G211-Q214 VanDerWaalsContact CA-NE2 3.3Å; G211-Q214 WeakPolarHBondContact O-CG 3.35Å; G211-M215 PolarHBondContact O-N 3.14Å; G211-D274 PolarHBondContact N-OD2 3.08Å
212T97.9Very high96.9Very high0 Ų032.4 Ų32.40%018%0.177CC..Hα-helixtrans-71-43.6176.1-56.20000111.1H128 V195 I206 N208 K209 Q214 M215 A216 F226 D274H128-T212 PolarHBondContact CD2-OG1 3.48Å; H128-T212 VanDerWaalsContact CD2-OG1 3.25Å; V195-T212 HydrophobicContact CB-CG2 4.39Å; V195-T212 HydrophobicContact CG1-CG2 4.38Å; V195-T212 HydrophobicContact CG2-CG2 4.04Å; I206-T212 HydrophobicContact CD1-CG2 4.03Å; N208-T212 HydrophobicContact CB-CG2 4.02Å; N208-T212 WeakPolarHBondContact CB-OG1 3.24Å; N208-T212 PolarHBondContact ND2-OG1 3.01Å; K209-T212 WeakPolarHBondContact O-CB 3.4Å; K209-T212 PolarHBondContact O-N 3.08Å; K209-T212 VanDerWaalsContact O-N 3.11Å; K209-T212 PolarHBondContact O-OG1 3.04Å; T212-Q214 PolarHBondContact O-N 3.06Å; T212-M215 WeakPolarHBondContact O-CB 3.24Å; T212-M215 PolarHBondContact O-N 3.36Å; T212-M215 VanDerWaalsContact O-N 3.15Å; T212-A216 PolarHBondContact O-N 3.04Å; T212-F226 HydrophobicContact CG2-CZ 3.85Å; T212-D274 WeakPolarHBondContact CB-OD1 3.44Å; T212-D274 PolarHBondContact N-OD2 3.41Å; T212-D274 VanDerWaalsContact N-OD2 3.11Å
213N97.9Very high97Very high43 Ų4337.3 Ų37.323%0.2320%0.204CC..Hα-helixtrans-61.9-44.3-179.5179.954.4000112.1M215 A216 V217 D274 Y275 T276N213-M215 VanDerWaalsContact C-N 3.27Å; N213-M215 PolarHBondContact O-N 3.1Å; N213-A216 PolarHBondContact O-N 3.05Å; N213-V217 WeakPolarHBondContact O-CG2 3.42Å; N213-V217 PolarHBondContact O-N 3.07Å; N213-D274 HydrophobicContact CB-CB 4.24Å; N213-D274 PolarHBondContact N-OD1 2.89Å; N213-D274 PolarHBondContact N-OD2 3.26Å; N213-D274 VanDerWaalsContact N-OD2 3.08Å; N213-Y275 WeakPolarHBondContact CB-O 3.48Å; N213-Y275 PolarHBondContact OD1-O 2.83Å; N213-T276 WeakPolarHBondContact CA-OG1 3.44Å; N213-T276 PolarHBondContact N-OG1 2.95Å
214Q96.7Very high97.3Very high85 Ų8538 Ų3840%0.39721%0.206SC..Hα-helixtrans-60.7-37.717660173.9-800112.2G211 T212 V217 C218G211-Q214 VanDerWaalsContact CA-NE2 3.3Å; G211-Q214 WeakPolarHBondContact O-CG 3.35Å; T212-Q214 PolarHBondContact O-N 3.06Å; Q214-V217 PolarHBondContact O-N 3.02Å; Q214-C218 PolarHBondContact O-N 2.87Å; Q214-C218 PolarHBondContact O-SG 3.43Å
215M98.3Very high97.4Very high0 Ų039.7 Ų39.70%022%0.217CC..Hα-helixtrans-67.4-41.8178.2-175.2-179.5-68.600110.9L126 H128 T153 V183 M187 V193 V195 G211 T212 N213 C218 A219 F226L126-M215 HydrophobicContact CD1-CE 4.28Å; L126-M215 HydrophobicContact CD2-CE 4.11Å; L126-M215 HydrophobicContact CD2-CG 4.08Å; L126-M215 HydrophobicContact CD2-SD 4.07Å; L126-M215 HydrophobicContact CG-CE 4Å; L126-M215 HydrophobicContact CG-SD 4.01Å; H128-M215 HydrophobicContact CB-CE 3.64Å; H128-M215 HydrophobicContact CB-SD 4.03Å; T153-M215 HydrophobicContact CG2-CE 3.46Å; T153-M215 VanDerWaalsContact CG2-CE 3.46Å; V183-M215 HydrophobicContact CG1-CB 3.96Å; V183-M215 HydrophobicContact CG1-CE 4.48Å; V183-M215 HydrophobicContact CG1-CG 3.94Å; V183-M215 HydrophobicContact CG2-CE 4.08Å; M187-M215 HydrophobicContact CE-CG 4.03Å; M187-M215 WeakPolarHBondContact CE-O 3.35Å; V193-M215 HydrophobicContact CG1-CG 3.94Å; V193-M215 HydrophobicContact CG1-SD 3.46Å; V193-M215 WeakPolarHBondContact CG1-SD 3.35Å; V195-M215 HydrophobicContact CG1-SD 3.95Å; G211-M215 PolarHBondContact O-N 3.14Å; T212-M215 WeakPolarHBondContact O-CB 3.24Å; T212-M215 PolarHBondContact O-N 3.36Å; T212-M215 VanDerWaalsContact O-N 3.15Å; N213-M215 VanDerWaalsContact C-N 3.27Å; N213-M215 PolarHBondContact O-N 3.1Å; M215-C218 PolarHBondContact O-N 2.83Å; M215-A219 WeakPolarHBondContact O-CB 3.49Å; M215-A219 PolarHBondContact O-N 3.21Å; M215-F226 HydrophobicContact CG-CE2 4.31Å
216A98.6Very high97.5Very high0 Ų039.7 Ų39.70%022%0.217CC..Hα-helixtrans-64.9-40.6176.700000112.2T212 N213 A219 K220 F226 T276 L280T212-A216 PolarHBondContact O-N 3.04Å; N213-A216 PolarHBondContact O-N 3.05Å; A216-A219 PolarHBondContact O-N 3Å; A216-K220 WeakPolarHBondContact O-CB 3.43Å; A216-K220 PolarHBondContact O-N 2.97Å; A216-F226 HydrophobicContact CB-CD1 4.45Å; A216-F226 HydrophobicContact CB-CD2 3.84Å; A216-F226 HydrophobicContact CB-CE1 4.18Å; A216-F226 HydrophobicContact CB-CE2 3.52Å; A216-F226 HydrophobicContact CB-CG 4.29Å; A216-F226 HydrophobicContact CB-CZ 3.7Å; A216-T276 HydrophobicContact CB-CG2 3.42Å; A216-T276 VanDerWaalsContact CB-CG2 3.42Å; A216-L280 HydrophobicContact CB-CB 3.8Å; A216-L280 HydrophobicContact CB-CD1 4.01Å
217V98.3Very high97.5Very high70 Ų7041 Ų4142%0.42422%0.222SC..Hα-helixtrans-61.3-47173.7172.40000111N213 Q214 A219 K220 A221 L280N213-V217 WeakPolarHBondContact O-CG2 3.42Å; N213-V217 PolarHBondContact O-N 3.07Å; Q214-V217 PolarHBondContact O-N 3.02Å; V217-A219 PolarHBondContact O-N 3.16Å; V217-K220 PolarHBondContact O-N 3.26Å; V217-A221 WeakPolarHBondContact O-CB 3.38Å; V217-A221 PolarHBondContact O-N 3.45Å; V217-L280 HydrophobicContact CG2-CD1 3.76Å; V217-L280 HydrophobicContact CG2-CD2 4.44Å
218C98.2Very high97.6Very high35 Ų3541 Ų4124%0.23622%0.222CC..Hα-helixtrans-62.4-42.9177.7-67.80000111.9V183 M187 Q214 M215 A221 Q222V183-C218 HydrophobicContact CG1-CB 4.31Å; M187-C218 HydrophobicContact CE-CB 3.81Å; M187-C218 HydrophobicContact CG-CB 4.39Å; Q214-C218 PolarHBondContact O-N 2.87Å; Q214-C218 PolarHBondContact O-SG 3.43Å; M215-C218 PolarHBondContact O-N 2.83Å; C218-A221 PolarHBondContact O-N 3.2Å; C218-Q222 PolarHBondContact O-N 3.33Å
219A98.4Very high97.7Very high0 Ų040.6 Ų40.60%022%0.219CC..Hα-helixtrans-61.5-46.3178.100000110.9M187 V193 M215 A216 V217 A221 Q222 N223 K224 F226M187-A219 HydrophobicContact CE-CB 3.9Å; M187-A219 HydrophobicContact SD-CB 3.91Å; V193-A219 HydrophobicContact CG2-CB 3.92Å; M215-A219 WeakPolarHBondContact O-CB 3.49Å; M215-A219 PolarHBondContact O-N 3.21Å; A216-A219 PolarHBondContact O-N 3Å; V217-A219 PolarHBondContact O-N 3.16Å; A219-A221 PolarHBondContact O-N 3.37Å; A219-Q222 CarbonylContact O-C 3.6Å; A219-Q222 PolarHBondContact O-N 3.38Å; A219-N223 PolarHBondContact O-N 3.25Å; A219-N223 VanDerWaalsContact O-N 3.1Å; A219-K224 HydrophobicContact CB-CB 4.26Å; A219-K224 PolarHBondContact O-N 3.46Å; A219-F226 HydrophobicContact CB-CB 4.34Å; A219-F226 HydrophobicContact CB-CD2 4.12Å
220K98.1Very high97.7Very high116 Ų11639.4 Ų39.450%0.50421%0.214SC..Hα-helixtrans-60.5-45.7177.3-172.669.9176.1-160.40112A216 V217 Q222 N223 S279 L280A216-K220 WeakPolarHBondContact O-CB 3.43Å; A216-K220 PolarHBondContact O-N 2.97Å; V217-K220 PolarHBondContact O-N 3.26Å; K220-Q222 PolarHBondContact O-N 2.95Å; K220-N223 PolarHBondContact O-N 3.05Å; K220-N223 VanDerWaalsContact O-N 3.12Å; K220-S279 PolarHBondContact NZ-O 3.26Å; K220-S279 VanDerWaalsContact NZ-O 3.11Å; K220-L280 HydrophobicContact CB-CD2 3.8Å; K220-L280 HydrophobicContact CG-CD2 3.95Å
221A97.8Very high97.7Very high81 Ų8136.7 Ų36.767%0.66920%0.2SC*.Hα-helixtrans-61-31.2-179.900000112.9V217 C218 A219V217-A221 WeakPolarHBondContact O-CB 3.38Å; V217-A221 PolarHBondContact O-N 3.45Å; C218-A221 PolarHBondContact O-N 3.2Å; A219-A221 PolarHBondContact O-N 3.37Å
222Q97.4Very high97.6Very high71 Ų7137 Ų3733%0.33220%0.202SC..THydrogen-bonded Turntrans-100.212.9178.5-62.6-169.412.500113.8G184 M187 C218 A219 K220 K224G184-Q222 PolarHBondContact O-NE2 3.27Å; M187-Q222 HydrophobicContact CG-CB 4.25Å; M187-Q222 HydrophobicContact CG-CG 4.3Å; M187-Q222 PolarHBondContact O-OE1 3.31Å; C218-Q222 PolarHBondContact O-N 3.33Å; A219-Q222 CarbonylContact O-C 3.6Å; A219-Q222 PolarHBondContact O-N 3.38Å; K220-Q222 PolarHBondContact O-N 2.95Å; Q222-K224 HydrophobicContact CB-CG 3.99Å; Q222-K224 PolarHBondContact O-N 2.85Å
223N97.5Very high97.2Very high148 Ų14837.1 Ų37.179%0.79120%0.202SC*.THydrogen-bonded Turntrans53.633.2-178.1-57.8-63.9000113.8A219 K220A219-N223 PolarHBondContact O-N 3.25Å; A219-N223 VanDerWaalsContact O-N 3.1Å; K220-N223 PolarHBondContact O-N 3.05Å; K220-N223 VanDerWaalsContact O-N 3.12Å
224K98.1Very high97Very high47 Ų4736 Ų3620%0.20420%0.195CC..  trans-88.9134.5174.9-54.4-61.6-173.7152.80109.3M187 E188 A190 A219 Q222 F226M187-K224 HydrophobicContact CG-CG 4.15Å; M187-K224 WeakPolarHBondContact O-CE 3.18Å; M187-K224 HydrophobicContact SD-CB 4.22Å; M187-K224 HydrophobicContact SD-CG 4.07Å; E188-K224 PolarHBondContact O-NZ 3.4Å; A190-K224 VanDerWaalsContact O-CD 3.28Å; A190-K224 WeakPolarHBondContact O-CD 3.3Å; A190-K224 WeakPolarHBondContact O-CE 3.35Å; A190-K224 PolarHBondContact O-NZ 3.23Å; A219-K224 HydrophobicContact CB-CB 4.26Å; A219-K224 PolarHBondContact O-N 3.46Å; Q222-K224 HydrophobicContact CB-CG 3.99Å; Q222-K224 PolarHBondContact O-N 2.85Å; K224-F226 PolarHBondContact O-N 3.44Å
225P98.1Very high96.8Very high35 Ų3532 Ų3223%0.22718%0.177CC..  trans-63.9135175.626.1-33.4000110.8D191 L192 V193 Y227 T282D191-P225 VanDerWaalsContact O-CD 3.29Å; D191-P225 WeakPolarHBondContact O-CD 3.49Å; L192-P225 HydrophobicContact CB-CG 3.69Å; V193-P225 PolarHBondContact N-O 3.21Å; P225-Y227 HydrophobicContact CB-CE1 3.81Å; P225-Y227 HydrophobicContact CB-CE2 4.33Å; P225-T282 HydrophobicContact CB-CG2 4.29Å
226F98.6Very high96.4Very high0 Ų032.4 Ų32.40%018%0.179CC..EExtended strand (participates in β ladder)trans-115.8111.4178.3-173.5-82.6000109.7V193 V195 I206 T212 M215 A216 A219 K224 T276 L280 I281 T282V193-F226 HydrophobicContact CB-CD2 3.76Å; V193-F226 HydrophobicContact CB-CE2 4.35Å; V193-F226 HydrophobicContact CB-CG 4.44Å; V193-F226 HydrophobicContact CG1-CD2 3.49Å; V193-F226 VanDerWaalsContact CG1-CD2 3.49Å; V193-F226 HydrophobicContact CG1-CE2 3.58Å; V193-F226 HydrophobicContact CG1-CG 4.43Å; V193-F226 HydrophobicContact CG2-CD2 4.37Å; V195-F226 HydrophobicContact CB-CZ 4.3Å; V195-F226 HydrophobicContact CG1-CE2 4.12Å; V195-F226 HydrophobicContact CG1-CZ 3.95Å; V195-F226 HydrophobicContact CG2-CE1 3.55Å; V195-F226 HydrophobicContact CG2-CE2 4.28Å; V195-F226 HydrophobicContact CG2-CZ 3.37Å; I206-F226 HydrophobicContact CD1-CE1 4.3Å; T212-F226 HydrophobicContact CG2-CZ 3.85Å; M215-F226 HydrophobicContact CG-CE2 4.31Å; A216-F226 HydrophobicContact CB-CD1 4.45Å; A216-F226 HydrophobicContact CB-CD2 3.84Å; A216-F226 HydrophobicContact CB-CE1 4.18Å; A216-F226 HydrophobicContact CB-CE2 3.52Å; A216-F226 HydrophobicContact CB-CG 4.29Å; A216-F226 HydrophobicContact CB-CZ 3.7Å; A219-F226 HydrophobicContact CB-CB 4.34Å; A219-F226 HydrophobicContact CB-CD2 4.12Å; K224-F226 PolarHBondContact O-N 3.44Å; F226-T276 HydrophobicContact CE1-CG2 4.43Å; F226-L280 WeakPolarHBondContact CB-O 3.33Å; F226-I281 HydrophobicContact CD1-CB 4.47Å; F226-I281 HydrophobicContact CD1-CG1 4.15Å; F226-I281 HydrophobicContact CE1-CG1 4.23Å; F226-T282 PolarHBondContact N-OG1 3.48Å; F226-T282 WeakPolarHBondContact O-CA 3.46Å; F226-T282 VanDerWaalsContact O-CB 3.29Å; F226-T282 WeakPolarHBondContact O-CB 3Å; F226-T282 PolarHBondContact O-N 3.36Å; F226-T282 PolarHBondContact O-OG1 3.48Å
227Y98.6Very high96Very high29 Ų2939.8 Ų39.811%0.11421%0.207CC..EExtended strand (participates in β ladder)trans-107.2128.5-177.8-57.7-35.7000110.8F118 L192 V193 I194 V195 P225 T282 L283 F285F118-Y227 HydrophobicContact CB-CE2 4.29Å; L192-Y227 HydrophobicContact CB-CE2 4.4Å; L192-Y227 HydrophobicContact CD1-CD2 4.34Å; L192-Y227 HydrophobicContact CD2-CE2 4.43Å; V193-Y227 PolarHBondContact O-N 3.27Å; I194-Y227 WeakPolarHBondContact CA-O 3.49Å; I194-Y227 HydrophobicContact CG1-CD2 4.32Å; V195-Y227 PolarHBondContact N-O 2.97Å; P225-Y227 HydrophobicContact CB-CE1 3.81Å; P225-Y227 HydrophobicContact CB-CE2 4.33Å; Y227-T282 HydrophobicContact CE1-CG2 3.94Å; Y227-L283 WeakPolarHBondContact CA-O 2.97Å; Y227-L283 HydrophobicContact CD1-CB 3.94Å; Y227-L283 HydrophobicContact CE1-CB 4.23Å; Y227-L283 HydrophobicContact CE1-CD1 4.09Å; Y227-L283 HydrophobicContact CE1-CG 4.33Å; Y227-F285 AromaticContact CD1-CE2 3.86Å; Y227-F285 HydrophobicContact CD1-CE2 3.86Å; Y227-F285 HydrophobicContact CD2-CE2 4.16Å; Y227-F285 HydrophobicContact CE1-CE2 4.48Å; Y227-F285 HydrophobicContact CG-CD2 4.45Å; Y227-F285 AromaticContact CG-CE2 3.68Å; Y227-F285 HydrophobicContact CG-CE2 3.68Å
228A98.5Very high95.6Very high0 Ų038 Ų380%020%0.195CC..EExtended strand (participates in β ladder)trans-102.1131.8171.200000109.4V195 I206 I281 L283 L284 F285V195-A228 HydrophobicContact CG2-CB 4.42Å; V195-A228 CarbonylContact O-C 3.57Å; V195-A228 WeakPolarHBondContact O-CA 3.36Å; I206-A228 HydrophobicContact CD1-CB 3.95Å; I206-A228 HydrophobicContact CG2-CB 4.1Å; A228-I281 HydrophobicContact CB-CG2 4.33Å; A228-L283 PolarHBondContact N-O 2.69Å; A228-L284 HydrophobicContact CB-CG 4.32Å; A228-L284 CarbonylContact O-C 3.57Å; A228-L284 VanDerWaalsContact O-CA 3.32Å; A228-L284 WeakPolarHBondContact O-CA 3.47Å; A228-F285 PolarHBondContact O-N 2.99Å
229V98.2Very high95.4Very high0 Ų042.1 Ų42.10%021%0.209CC..EExtended strand (participates in β ladder)trans-112.5123.7173.8-72.10000109.4I111 C115 V133 V134 V137 I194 V195 G196 A197 F285I111-V229 HydrophobicContact CG2-CB 3.92Å; I111-V229 HydrophobicContact CG2-CG1 3.97Å; C115-V229 HydrophobicContact CB-CG1 4.05Å; V133-V229 HydrophobicContact CG1-CB 4.26Å; V133-V229 HydrophobicContact CG1-CG2 3.77Å; V133-V229 HydrophobicContact CG2-CB 4.19Å; V133-V229 HydrophobicContact CG2-CG2 4.35Å; V134-V229 HydrophobicContact CB-CG2 4.38Å; V134-V229 HydrophobicContact CG2-CG2 3.37Å; V137-V229 HydrophobicContact CG2-CG1 4.09Å; I194-V229 HydrophobicContact CG2-CG1 4.21Å; I194-V229 HydrophobicContact CG2-CG2 4.07Å; V195-V229 WeakPolarHBondContact O-CG2 2.9Å; V195-V229 PolarHBondContact O-N 3.4Å; G196-V229 WeakPolarHBondContact CA-O 3.12Å; A197-V229 PolarHBondContact N-O 2.84Å; V229-F285 WeakPolarHBondContact CA-O 3.47Å; V229-F285 HydrophobicContact CB-CB 4.5Å; V229-F285 HydrophobicContact CG1-CB 3.67Å; V229-F285 HydrophobicContact CG1-CD2 4.33Å; V229-F285 HydrophobicContact CG1-CG 4.29Å
230A96.3Very high95.2Very high1 Ų142.1 Ų42.11%0.00821%0.209CC..  trans-153.5140.5-175.600000112I111 A197 V200 F285 T286I111-A230 WeakPolarHBondContact CD1-O 3.42Å; A197-A230 HydrophobicContact CB-CB 3.94Å; V200-A230 HydrophobicContact CG2-CB 3.66Å; A230-F285 PolarHBondContact N-O 3.37Å; A230-T286 WeakPolarHBondContact O-CA 3.31Å; A230-T286 WeakPolarHBondContact O-CB 3.33Å
231E94.7Very high95Very high4 Ų442.7 Ų42.72%0.01922%0.217CC..  trans-71.6139.2170.5-52.591.5152.600111.2S107 R108 I111 F233 K234S107-E231 WeakPolarHBondContact OG-CG 3.42Å; R108-E231 WeakPolarHBondContact CD-OE1 3.36Å; R108-E231 HydrophobicContact CG-CG 4.09Å; R108-E231 WeakPolarHBondContact CG-OE1 3.38Å; I111-E231 HydrophobicContact CD1-CB 4.32Å; I111-E231 HydrophobicContact CD1-CG 3.87Å; E231-F233 HydrophobicContact CB-CD1 3.54Å; E231-F233 HydrophobicContact CB-CD2 4.45Å; E231-F233 HydrophobicContact CB-CE1 3.14Å; E231-F233 HydrophobicContact CB-CE2 4.08Å; E231-F233 HydrophobicContact CB-CG 4.19Å; E231-F233 HydrophobicContact CB-CZ 3.42Å; E231-F233 VanDerWaalsContact CB-CZ 3.42Å; E231-F233 HydrophobicContact CG-CD1 4.39Å; E231-F233 HydrophobicContact CG-CE1 3.52Å; E231-F233 HydrophobicContact CG-CZ 3.63Å; E231-F233 PolarHBondContact O-N 3.49Å; E231-F233 VanDerWaalsContact O-N 3.15Å; E231-K234 VanDerWaalsContact O-CB 3.28Å; E231-K234 WeakPolarHBondContact O-CB 3.39Å; E231-K234 PolarHBondContact O-N 3.45Å; E231-K234 WeakPolarHBondContact OE2-CD 3.21Å; E231-K234 WeakPolarHBondContact OE2-CE 3.38Å; E231-K234 IonicContact OE2-NZ 3.35Å; E231-K234 PolarHBondContact OE2-NZ 3.35Å
232S92.8Very high94.9Very high11 Ų1142 Ų428%0.07720%0.202CC..G310 helixtrans-60.5-25.6-176.761.60000113.6K234 F235 D287S232-K234 PolarHBondContact O-N 2.87Å; S232-K234 VanDerWaalsContact O-N 3.16Å; S232-F235 VanDerWaalsContact O-CB 3.23Å; S232-F235 WeakPolarHBondContact O-CB 3.44Å; S232-F235 WeakPolarHBondContact O-CG 3.31Å; S232-F235 PolarHBondContact O-N 3.18Å; S232-D287 WeakPolarHBondContact CA-OD1 3.24Å; S232-D287 WeakPolarHBondContact CB-OD1 3.28Å; S232-D287 PolarHBondContact N-OD1 2.89Å; S232-D287 VanDerWaalsContact OG-CG 3.24Å; S232-D287 PolarHBondContact OG-OD1 3.47Å; S232-D287 PolarHBondContact OG-OD2 2.94Å
233F90.4Very high94.8Very high3 Ų342.1 Ų42.11%0.01320%0.203CC..G310 helixtrans-67.6-1117464.5-106000113.6A23 A64 S67 G68 L71 I104 E231 F235A23-F233 HydrophobicContact CB-CD2 3.58Å; A23-F233 HydrophobicContact CB-CE2 3.34Å; A23-F233 HydrophobicContact CB-CZ 4.1Å; A64-F233 HydrophobicContact CB-CE2 4.36Å; S67-F233 CarbonylContact C-O 3.55Å; S67-F233 WeakPolarHBondContact CB-O 3.41Å; S67-F233 PolarHBondContact OG-O 3.33Å; G68-F233 PolarHBondContact N-O 3.03Å; L71-F233 HydrophobicContact CD1-CB 4.28Å; I104-F233 HydrophobicContact CB-CD1 3.79Å; I104-F233 HydrophobicContact CB-CE1 4.04Å; I104-F233 HydrophobicContact CG2-CB 4.27Å; I104-F233 HydrophobicContact CG2-CD1 3.75Å; I104-F233 HydrophobicContact CG2-CE1 4.5Å; I104-F233 HydrophobicContact CG2-CG 4.31Å; E231-F233 HydrophobicContact CB-CD1 3.54Å; E231-F233 HydrophobicContact CB-CD2 4.45Å; E231-F233 HydrophobicContact CB-CE1 3.14Å; E231-F233 HydrophobicContact CB-CE2 4.08Å; E231-F233 HydrophobicContact CB-CG 4.19Å; E231-F233 HydrophobicContact CB-CZ 3.42Å; E231-F233 VanDerWaalsContact CB-CZ 3.42Å; E231-F233 HydrophobicContact CG-CD1 4.39Å; E231-F233 HydrophobicContact CG-CE1 3.52Å; E231-F233 HydrophobicContact CG-CZ 3.63Å; E231-F233 PolarHBondContact O-N 3.49Å; E231-F233 VanDerWaalsContact O-N 3.15Å; F233-F235 VanDerWaalsContact C-N 3.31Å
234K93.2Very high94.5Very high20 Ų2043 Ų439%0.08720%0.202CC..G310 helixtrans-89.54.2173-63.5178.4169.21700113.1A64 S67 A197 G199 V200 E231 S232 V236A64-K234 HydrophobicContact CB-CG 4.07Å; S67-K234 WeakPolarHBondContact OG-CA 3.42Å; A197-K234 WeakPolarHBondContact O-CD 3.07Å; A197-K234 PolarHBondContact O-NZ 2.88Å; G199-K234 WeakPolarHBondContact CA-O 3.44Å; V200-K234 PolarHBondContact N-O 3Å; E231-K234 VanDerWaalsContact O-CB 3.28Å; E231-K234 WeakPolarHBondContact O-CB 3.39Å; E231-K234 PolarHBondContact O-N 3.45Å; E231-K234 WeakPolarHBondContact OE2-CD 3.21Å; E231-K234 WeakPolarHBondContact OE2-CE 3.38Å; E231-K234 IonicContact OE2-NZ 3.35Å; E231-K234 PolarHBondContact OE2-NZ 3.35Å; S232-K234 PolarHBondContact O-N 2.87Å; S232-K234 VanDerWaalsContact O-N 3.16Å; K234-V236 PolarHBondContact O-N 3.31Å
235F92.9Very high94.3Very high0 Ų043.8 Ų43.80%021%0.209CC..BIsolated β-bridgetrans-76.3124.1178.2-75.927.1000109.1V200 S232 F233 T286 L291 V296 L300 L303 Y304V200-F235 HydrophobicContact CB-CD1 3.57Å; V200-F235 HydrophobicContact CB-CE1 3.61Å; V200-F235 HydrophobicContact CB-CG 4.22Å; V200-F235 HydrophobicContact CB-CZ 4.26Å; V200-F235 HydrophobicContact CG1-CD1 4.24Å; V200-F235 HydrophobicContact CG1-CE1 3.93Å; V200-F235 HydrophobicContact CG1-CZ 4.08Å; V200-F235 HydrophobicContact CG2-CD1 3.79Å; V200-F235 HydrophobicContact CG2-CE1 3.53Å; V200-F235 HydrophobicContact CG2-CZ 4.41Å; V200-F235 WeakPolarHBondContact O-CA 3.39Å; S232-F235 VanDerWaalsContact O-CB 3.23Å; S232-F235 WeakPolarHBondContact O-CB 3.44Å; S232-F235 WeakPolarHBondContact O-CG 3.31Å; S232-F235 PolarHBondContact O-N 3.18Å; F233-F235 VanDerWaalsContact C-N 3.31Å; F235-T286 HydrophobicContact CE1-CG2 3.99Å; F235-T286 HydrophobicContact CZ-CG2 3.76Å; F235-L291 HydrophobicContact CE2-CD1 4.21Å; F235-L291 HydrophobicContact CZ-CD1 4.11Å; F235-V296 HydrophobicContact CD2-CG1 4.2Å; F235-V296 HydrophobicContact CE2-CG1 3.84Å; F235-V296 HydrophobicContact CZ-CG1 4.39Å; F235-L300 HydrophobicContact CB-CD2 3.59Å; F235-L300 HydrophobicContact CB-CG 4.15Å; F235-L300 HydrophobicContact CD2-CD2 4.28Å; F235-L300 HydrophobicContact CD2-CG 3.95Å; F235-L300 HydrophobicContact CG-CD2 4.47Å; F235-L303 HydrophobicContact CB-CD1 4.34Å; F235-L303 HydrophobicContact CD2-CD1 4.05Å; F235-L303 HydrophobicContact CG-CD1 4.41Å; F235-Y304 PolarHBondContact O-OH 3.46Å
236V90.7Very high94.1Very high10 Ų1042.3 Ų42.36%0.06120%0.199CC..  trans-116.5142.9-174.9-75.90000112.1V63 V200 V201 K234 L238V63-V236 HydrophobicContact CG1-CG1 3.36Å; V63-V236 HydrophobicContact CG1-CG2 4.46Å; V200-V236 VanDerWaalsContact O-CG2 3.28Å; V200-V236 WeakPolarHBondContact O-CG2 3.35Å; V200-V236 PolarHBondContact O-N 2.71Å; V201-V236 HydrophobicContact CG1-CG2 3.89Å; K234-V236 PolarHBondContact O-N 3.31Å; V236-L238 HydrophobicContact CB-CB 4.47Å; V236-L238 HydrophobicContact CG2-CB 4.1Å; V236-L238 PolarHBondContact O-N 3.27Å
237R89.2Confident93.8Very high155 Ų15544.2 Ų44.259%0.58521%0.211SC*.SBendtrans-77.965.9171.4-64-162.967.2-161.62111.8E202 Y304E202-R237 WeakPolarHBondContact OE1-CA 3.47Å; E202-R237 VanDerWaalsContact OE1-CB 3.3Å; E202-R237 WeakPolarHBondContact OE1-CB 3.25Å; E202-R237 IonicContact OE1-NE 2.74Å; E202-R237 PolarHBondContact OE1-NE 3.06Å; R237-Y304 HydrophobicContact CG-CD1 4.43Å; R237-Y304 HydrophobicContact CG-CE1 4.03Å; R237-Y304 HydrophobicContact CG-CE2 4.16Å
238L90.8Very high93.3Very high32 Ų3246.2 Ų46.217%0.16822%0.224CC..  trans-131.8140.7178.5-176.271.3000108.8V201 E202 I207 V236 P240 P247 F250V201-L238 VanDerWaalsContact CB-O 3.32Å; V201-L238 WeakPolarHBondContact CB-O 3.27Å; V201-L238 HydrophobicContact CG1-CB 4.19Å; V201-L238 HydrophobicContact CG1-CD2 4.06Å; V201-L238 HydrophobicContact CG1-CG 4.43Å; E202-L238 WeakPolarHBondContact CG-O 3.41Å; E202-L238 PolarHBondContact N-O 3.1Å; I207-L238 HydrophobicContact CD1-CD2 3.82Å; V236-L238 HydrophobicContact CB-CB 4.47Å; V236-L238 HydrophobicContact CG2-CB 4.1Å; V236-L238 PolarHBondContact O-N 3.27Å; L238-P240 HydrophobicContact CD2-CG 4.25Å; L238-P240 HydrophobicContact CG-CG 4.38Å; L238-P247 HydrophobicContact CD1-CG 3.71Å; L238-P247 VanDerWaalsContact CD2-CD 3.44Å; L238-P247 HydrophobicContact CD2-CG 4.18Å; L238-F250 HydrophobicContact CD2-CD2 4.42Å; L238-F250 HydrophobicContact CD2-CE2 4.29Å
239F93.7Very high92.8Very high122 Ų12251.4 Ų51.454%0.53525%0.246SC..  trans-126.973.4178.4-158.8-76.8000110E202 N203 L241E202-F239 HydrophobicContact CB-CD2 4.03Å; N203-F239 HydrophobicContact CB-CD2 4.18Å; N203-F239 HydrophobicContact CB-CE1 4.41Å; N203-F239 HydrophobicContact CB-CE2 3.67Å; N203-F239 HydrophobicContact CB-CZ 3.79Å; F239-L241 HydrophobicContact CD1-CD2 3.85Å; F239-L241 HydrophobicContact CE1-CD2 3.58Å
240P94.6Very high92.4Very high0 Ų052.4 Ų52.40%025%0.251CS..  trans-77.3135.1176.831.6-26000109.7V201 N203 L238 D245 V246 Y275V201-P240 HydrophobicContact CB-CG 4.23Å; V201-P240 HydrophobicContact CG1-CG 3.91Å; V201-P240 HydrophobicContact CG2-CG 4.1Å; N203-P240 PolarHBondContact ND2-O 2.99Å; L238-P240 HydrophobicContact CD2-CG 4.25Å; L238-P240 HydrophobicContact CG-CG 4.38Å; P240-D245 HydrophobicContact CB-CB 3.8Å; P240-V246 HydrophobicContact CB-CG2 4.22Å; P240-Y275 HydrophobicContact CG-CD1 4.47Å; P240-Y275 HydrophobicContact CG-CD2 3.81Å; P240-Y275 HydrophobicContact CG-CE1 4.36Å; P240-Y275 HydrophobicContact CG-CE2 3.71Å; P240-Y275 HydrophobicContact CG-CG 4.21Å; P240-Y275 PolarHBondContact O-OH 3.02Å
241L93.6Very high92Very high128 Ų12853.7 Ų53.767%0.6726%0.256SS*.SBendtrans-91.1-27.4171.8-55.7177.8000111.2F239 D245F239-L241 HydrophobicContact CD1-CD2 3.85Å; F239-L241 HydrophobicContact CE1-CD2 3.58Å; L241-D245 WeakPolarHBondContact CA-OD2 3.35Å; L241-D245 VanDerWaalsContact CB-OD2 3.23Å; L241-D245 WeakPolarHBondContact CB-OD2 3.42Å; L241-D245 PolarHBondContact N-OD2 3.43Å
242N94.5Very high91.7Very high67 Ų6754.6 Ų54.636%0.35826%0.26SS..SBendtrans-148.1-179.3-177.267.170.8000111.2Q244 D245N242-Q244 VanDerWaalsContact C-N 3.29Å; N242-Q244 PolarHBondContact O-N 3.39Å; N242-Q244 WeakPolarHBondContact OD1-CA 3.25Å; N242-Q244 WeakPolarHBondContact OD1-CB 3.32Å; N242-Q244 PolarHBondContact OD1-N 2.94Å; N242-D245 PolarHBondContact N-OD2 3.27Å; N242-D245 VanDerWaalsContact ND2-CG 3.33Å; N242-D245 PolarHBondContact ND2-OD1 3.04Å; N242-D245 VanDerWaalsContact ND2-OD1 3.16Å; N242-D245 PolarHBondContact ND2-OD2 3.45Å; N242-D245 VanDerWaalsContact ND2-OD2 3.07Å; N242-D245 PolarHBondContact O-N 3.4Å; N242-D245 PolarHBondContact OD1-N 3.3Å
243Q94.9Very high91.3Very high73 Ų7358.8 Ų58.834%0.34128%0.276SS..SBendtrans-62.8-31.8-178.4-58.4-59.1-28.100113.8K251 Y275Q243-K251 VanDerWaalsContact O-CE 3.22Å; Q243-K251 WeakPolarHBondContact O-CE 3.36Å; Q243-Y275 PolarHBondContact NE2-O 3.46Å
244Q92.2Very high90.9Very high165 Ų16559 Ų5977%0.77128%0.279SS*.THydrogen-bonded Turntrans-72.2-33.9-177.1-55.9-177.52.500111.3N242 V246 K251N242-Q244 VanDerWaalsContact C-N 3.29Å; N242-Q244 PolarHBondContact O-N 3.39Å; N242-Q244 WeakPolarHBondContact OD1-CA 3.25Å; N242-Q244 WeakPolarHBondContact OD1-CB 3.32Å; N242-Q244 PolarHBondContact OD1-N 2.94Å; Q244-V246 PolarHBondContact O-N 3.2Å; Q244-K251 PolarHBondContact O-NZ 2.99Å
245D94.6Very high90.4Very high65 Ų6563.6 Ų63.635%0.34830%0.304SS..THydrogen-bonded Turntrans-68.9-14.7-180-57.5-14.7000113.4P240 L241 N242 P247P240-D245 HydrophobicContact CB-CB 3.8Å; L241-D245 WeakPolarHBondContact CA-OD2 3.35Å; L241-D245 VanDerWaalsContact CB-OD2 3.23Å; L241-D245 WeakPolarHBondContact CB-OD2 3.42Å; L241-D245 PolarHBondContact N-OD2 3.43Å; N242-D245 PolarHBondContact N-OD2 3.27Å; N242-D245 VanDerWaalsContact ND2-CG 3.33Å; N242-D245 PolarHBondContact ND2-OD1 3.04Å; N242-D245 VanDerWaalsContact ND2-OD1 3.16Å; N242-D245 PolarHBondContact ND2-OD2 3.45Å; N242-D245 VanDerWaalsContact ND2-OD2 3.07Å; N242-D245 PolarHBondContact O-N 3.4Å; N242-D245 PolarHBondContact OD1-N 3.3Å; D245-P247 WeakPolarHBondContact O-CD 3.33Å
246V93Very high89.8Confident3 Ų365 Ų652%0.01831%0.313CS..SBendtrans-66.1125.5172-1790000108.3I207 P240 Q244 D248 F250 K251 Y275I207-V246 HydrophobicContact CD1-CG1 4.04Å; P240-V246 HydrophobicContact CB-CG2 4.22Å; Q244-V246 PolarHBondContact O-N 3.2Å; V246-D248 PolarHBondContact O-N 3.16Å; V246-F250 HydrophobicContact CG1-CB 4.29Å; V246-K251 HydrophobicContact CB-CG 4.44Å; V246-K251 HydrophobicContact CG1-CG 4.05Å; V246-K251 WeakPolarHBondContact O-CE 3.26Å; V246-K251 PolarHBondContact O-NZ 3.21Å; V246-Y275 HydrophobicContact CG2-CG 4.4Å
247P91.6Very high89.4Confident40 Ų4066.3 Ų66.326%0.2632%0.319SS..  trans-59.5138.6177.8-27.835.2000112.7L238 D245 K249 F250 K251L238-P247 HydrophobicContact CD1-CG 3.71Å; L238-P247 VanDerWaalsContact CD2-CD 3.44Å; L238-P247 HydrophobicContact CD2-CG 4.18Å; D245-P247 WeakPolarHBondContact O-CD 3.33Å; P247-K249 HydrophobicContact CB-CG 3.83Å; P247-K249 PolarHBondContact O-N 3.09Å; P247-K249 VanDerWaalsContact O-N 3.12Å; P247-F250 HydrophobicContact CB-CD2 4.06Å; P247-F250 HydrophobicContact CB-CE2 4.39Å; P247-F250 HydrophobicContact CG-CD2 4.05Å; P247-F250 HydrophobicContact CG-CE2 4.12Å; P247-F250 PolarHBondContact O-N 3.1Å; P247-K251 PolarHBondContact O-N 3.04Å
248D89.5Confident89Confident71 Ų7163.8 Ų63.838%0.3831%0.313SS..Hα-helixtrans-60.2-28-178.8-66.2-18.1000112.8V246 F250 K251 Y252 L266V246-D248 PolarHBondContact O-N 3.16Å; D248-F250 PolarHBondContact O-N 2.71Å; D248-K251 PolarHBondContact O-N 3.16Å; D248-K251 IonicContact OD1-NZ 3.25Å; D248-K251 PolarHBondContact OD1-NZ 2.9Å; D248-Y252 HydrophobicContact CB-CD2 3.98Å; D248-Y252 HydrophobicContact CB-CE2 4.11Å; D248-Y252 WeakPolarHBondContact O-CD2 3.4Å; D248-Y252 PolarHBondContact O-N 3.39Å; D248-L266 HydrophobicContact CB-CD1 4.39Å
249K87.9Confident88.4Confident109 Ų10965.2 Ų65.247%0.47432%0.323SS..Hα-helixtrans-55.5-25.3172.666.9169.5-178.8171.10114P247 L257P247-K249 HydrophobicContact CB-CG 3.83Å; P247-K249 PolarHBondContact O-N 3.09Å; P247-K249 VanDerWaalsContact O-N 3.12Å; K249-L257 HydrophobicContact CB-CD1 4.4Å
250F88.7Confident87.6Confident21 Ų2160.4 Ų60.49%0.09231%0.306CS..Hα-helixtrans-97.1-27.9176.6-58-40.4000112.4V63 I207 L238 V246 P247 D248 V273V63-F250 HydrophobicContact CB-CD1 4.32Å; V63-F250 HydrophobicContact CB-CE1 4.27Å; V63-F250 HydrophobicContact CG1-CE1 4.38Å; V63-F250 HydrophobicContact CG1-CZ 4.46Å; V63-F250 HydrophobicContact CG2-CB 4.05Å; V63-F250 HydrophobicContact CG2-CD1 3.48Å; V63-F250 VanDerWaalsContact CG2-CD1 3.48Å; V63-F250 HydrophobicContact CG2-CD2 4.3Å; V63-F250 HydrophobicContact CG2-CE1 3.87Å; V63-F250 HydrophobicContact CG2-CG 3.71Å; V63-F250 HydrophobicContact CG2-CZ 4.41Å; I207-F250 HydrophobicContact CD1-CD2 4.36Å; L238-F250 HydrophobicContact CD2-CD2 4.42Å; L238-F250 HydrophobicContact CD2-CE2 4.29Å; V246-F250 HydrophobicContact CG1-CB 4.29Å; P247-F250 HydrophobicContact CB-CD2 4.06Å; P247-F250 HydrophobicContact CB-CE2 4.39Å; P247-F250 HydrophobicContact CG-CD2 4.05Å; P247-F250 HydrophobicContact CG-CE2 4.12Å; P247-F250 PolarHBondContact O-N 3.1Å; D248-F250 PolarHBondContact O-N 2.71Å; F250-V273 WeakPolarHBondContact O-CG2 3.45Å
251K89.1Confident86.7Confident28 Ų2868.5 Ų68.512%0.12234%0.344CS..Hα-helixtrans-69.6-36.4178.4-65.6-176.3-168.71400112.7Q243 Q244 V246 P247 D248 P271 W272Q243-K251 VanDerWaalsContact O-CE 3.22Å; Q243-K251 WeakPolarHBondContact O-CE 3.36Å; Q244-K251 PolarHBondContact O-NZ 2.99Å; V246-K251 HydrophobicContact CB-CG 4.44Å; V246-K251 HydrophobicContact CG1-CG 4.05Å; V246-K251 WeakPolarHBondContact O-CE 3.26Å; V246-K251 PolarHBondContact O-NZ 3.21Å; P247-K251 PolarHBondContact O-N 3.04Å; D248-K251 PolarHBondContact O-N 3.16Å; D248-K251 IonicContact OD1-NZ 3.25Å; D248-K251 PolarHBondContact OD1-NZ 2.9Å; K251-P271 HydrophobicContact CB-CB 4.09Å; K251-P271 HydrophobicContact CG-CB 4.48Å; K251-W272 PolarHBondContact O-N 3.39Å
252Y88Confident85.9Confident24 Ų2468 Ų689%0.09435%0.346CS..SBendtrans-119.1155.4-170.6-55.5-77.6000112.2S61 D248 T256 L257 L266 E269S61-Y252 PolarHBondContact OG-O 2.9Å; D248-Y252 HydrophobicContact CB-CD2 3.98Å; D248-Y252 HydrophobicContact CB-CE2 4.11Å; D248-Y252 WeakPolarHBondContact O-CD2 3.4Å; D248-Y252 PolarHBondContact O-N 3.39Å; Y252-T256 HydrophobicContact CD1-CG2 4.28Å; Y252-L257 HydrophobicContact CD2-CD2 4.34Å; Y252-L266 HydrophobicContact CD1-CD2 4.34Å; Y252-L266 HydrophobicContact CD2-CD1 4.33Å; Y252-L266 HydrophobicContact CD2-CD2 3.99Å; Y252-L266 HydrophobicContact CE1-CD2 4.5Å; Y252-L266 HydrophobicContact CE2-CB 4.19Å; Y252-L266 HydrophobicContact CE2-CD1 4.28Å; Y252-L266 HydrophobicContact CE2-CD2 4.19Å; Y252-L266 HydrophobicContact CE2-CG 4.46Å; Y252-L266 HydrophobicContact CG-CD2 4.07Å; Y252-L266 PolarHBondContact OH-O 3.41Å; Y252-L266 VanDerWaalsContact OH-O 3.06Å; Y252-E269 HydrophobicContact CD1-CB 4.12Å; Y252-E269 HydrophobicContact CE1-CB 3.7Å
253K84.5Confident84.9Confident98 Ų9868.1 Ų68.143%0.42636%0.363SS..  trans-69.7151.5174.1-68.8-178.9178.4172.80110.4S61 D255 T256 L257 W272S61-K253 WeakPolarHBondContact OG-CA 3.41Å; K253-D255 PolarHBondContact O-N 2.99Å; K253-D255 VanDerWaalsContact O-N 3.16Å; K253-T256 WeakPolarHBondContact O-CB 3.33Å; K253-T256 PolarHBondContact O-N 2.96Å; K253-L257 WeakPolarHBondContact O-CG 3.49Å; K253-L257 PolarHBondContact O-N 3.44Å; K253-W272 HydrophobicContact CD-CZ2 4.45Å; K253-W272 VanDerWaalsContact NZ-CH2 3.3Å; K253-W272 VanDerWaalsContact NZ-CZ2 3.33Å
254A81.9Confident83.8Confident9 Ų968.9 Ų68.97%0.07437%0.367CS..Hα-helixtrans-51.1-39.4177.400000113.1S61 L257 K258S61-A254 PolarHBondContact OG-N 3.24Å; S61-A254 VanDerWaalsContact OG-N 3.1Å; A254-L257 PolarHBondContact O-N 3.4Å; A254-K258 WeakPolarHBondContact O-CG 3.46Å; A254-K258 PolarHBondContact O-N 3.43Å; A254-K258 VanDerWaalsContact O-N 3.09Å
255D81.8Confident83Confident115 Ų11564.7 Ų64.762%0.61535%0.35SS*.Hα-helixtrans-67.4-43.7178.6-62.7-27.4000112K253 L257 K258 V259K253-D255 PolarHBondContact O-N 2.99Å; K253-D255 VanDerWaalsContact O-N 3.16Å; D255-L257 VanDerWaalsContact C-N 3.3Å; D255-L257 PolarHBondContact O-N 3.33Å; D255-K258 PolarHBondContact O-N 3.49Å; D255-K258 IonicContact OD1-NZ 3.98Å; D255-V259 WeakPolarHBondContact O-CG2 3.39Å; D255-V259 PolarHBondContact O-N 2.88Å; D255-V259 VanDerWaalsContact O-N 3.1Å
256T81.3Confident82.3Confident30 Ų3063.2 Ų63.218%0.18434%0.341CS..Hα-helixtrans-59.6-41.4174.9-51.20000111.4Y252 K253 K258 V259 A260 L266 E269Y252-T256 HydrophobicContact CD1-CG2 4.28Å; K253-T256 WeakPolarHBondContact O-CB 3.33Å; K253-T256 PolarHBondContact O-N 2.96Å; T256-K258 VanDerWaalsContact C-N 3.35Å; T256-K258 PolarHBondContact O-N 2.88Å; T256-V259 PolarHBondContact O-N 3.31Å; T256-A260 WeakPolarHBondContact O-CB 3.42Å; T256-A260 PolarHBondContact O-N 3.25Å; T256-L266 HydrophobicContact CG2-CD2 4.04Å; T256-E269 HydrophobicContact CG2-CB 4.36Å; T256-E269 HydrophobicContact CG2-CG 3.87Å
257L80.9Confident81.4Confident37 Ų3771.5 Ų71.519%0.19438%0.377CS..Hα-helixtrans-64.8-37.2177.9-65.9167000112.4K249 Y252 K253 A254 D255 A260 Q261 L266K249-L257 HydrophobicContact CB-CD1 4.4Å; Y252-L257 HydrophobicContact CD2-CD2 4.34Å; K253-L257 WeakPolarHBondContact O-CG 3.49Å; K253-L257 PolarHBondContact O-N 3.44Å; A254-L257 PolarHBondContact O-N 3.4Å; D255-L257 VanDerWaalsContact C-N 3.3Å; D255-L257 PolarHBondContact O-N 3.33Å; L257-A260 PolarHBondContact O-N 2.93Å; L257-Q261 WeakPolarHBondContact O-CG 3.4Å; L257-Q261 PolarHBondContact O-N 3.32Å; L257-L266 HydrophobicContact CD2-CD1 4.4Å
258K81Confident80.8Confident102 Ų10277.1 Ų77.144%0.44340%0.4SS..Hα-helixtrans-66-40.9175.4-71.7168.4-170.8162.40111.6G58 A254 D255 T256 Q261G58-K258 WeakPolarHBondContact O-CE 3.34Å; G58-K258 PolarHBondContact O-NZ 3.22Å; A254-K258 WeakPolarHBondContact O-CG 3.46Å; A254-K258 PolarHBondContact O-N 3.43Å; A254-K258 VanDerWaalsContact O-N 3.09Å; D255-K258 PolarHBondContact O-N 3.49Å; D255-K258 IonicContact OD1-NZ 3.98Å; T256-K258 VanDerWaalsContact C-N 3.35Å; T256-K258 PolarHBondContact O-N 2.88Å; K258-Q261 WeakPolarHBondContact O-CB 3.37Å; K258-Q261 PolarHBondContact O-N 3.04Å
259V78.8Confident80.5Confident62 Ų6276.8 Ų76.838%0.37640%0.396SS..Hα-helixtrans-70.3-36.1177.9-172.10000111D255 T256 Q261 T262 Q264D255-V259 WeakPolarHBondContact O-CG2 3.39Å; D255-V259 PolarHBondContact O-N 2.88Å; D255-V259 VanDerWaalsContact O-N 3.1Å; T256-V259 PolarHBondContact O-N 3.31Å; V259-Q261 VanDerWaalsContact C-N 3.25Å; V259-Q261 PolarHBondContact O-N 3Å; V259-T262 WeakPolarHBondContact O-CA 3.43Å; V259-T262 WeakPolarHBondContact O-CB 3.47Å; V259-T262 PolarHBondContact O-N 3.4Å; V259-T262 PolarHBondContact O-OG1 3.22Å; V259-Q264 HydrophobicContact CG1-CB 4.19Å
260A77.2Confident80.4Confident22 Ų2275.9 Ų75.918%0.18239%0.393CS..Hα-helixtrans-59.3-35174.400000113.4T256 L257 T262 G263 Q264 L266T256-A260 WeakPolarHBondContact O-CB 3.42Å; T256-A260 PolarHBondContact O-N 3.25Å; L257-A260 PolarHBondContact O-N 2.93Å; A260-T262 PolarHBondContact O-N 3.38Å; A260-G263 PolarHBondContact O-N 3.21Å; A260-G263 VanDerWaalsContact O-N 3.14Å; A260-Q264 WeakPolarHBondContact CA-O 3.43Å; A260-L266 HydrophobicContact CB-CD1 4.07Å; A260-L266 HydrophobicContact CB-CD2 3.56Å; A260-L266 HydrophobicContact CB-CG 3.57Å
261Q76Confident80.5Confident170 Ų17077 Ų7779%0.79440%0.402SS*.THydrogen-bonded Turntrans-63.8-20173.1-68171.6-4.200113.2L257 K258 V259L257-Q261 WeakPolarHBondContact O-CG 3.4Å; L257-Q261 PolarHBondContact O-N 3.32Å; K258-Q261 WeakPolarHBondContact O-CB 3.37Å; K258-Q261 PolarHBondContact O-N 3.04Å; V259-Q261 VanDerWaalsContact C-N 3.25Å; V259-Q261 PolarHBondContact O-N 3Å
262T76.7Confident80.6Confident116 Ų11677.7 Ų77.771%0.71240%0.404SS*.THydrogen-bonded Turntrans-90.32.8177.367.90000114.1V259 A260V259-T262 WeakPolarHBondContact O-CA 3.43Å; V259-T262 WeakPolarHBondContact O-CB 3.47Å; V259-T262 PolarHBondContact O-N 3.4Å; V259-T262 PolarHBondContact O-OG1 3.22Å; A260-T262 PolarHBondContact O-N 3.38Å
263G73.1Confident80.8Confident70 Ų7077.4 Ų77.472%0.72241%0.405SS*.THydrogen-bonded Turntrans114.62.6172.200000115.9A260A260-G263 PolarHBondContact O-N 3.21Å; A260-G263 VanDerWaalsContact O-N 3.14Å
264Q71.3Confident81.4Confident90 Ų9073.3 Ų73.342%0.42139%0.388SS..  trans-79132.5174.6-152175.43.600110.5V259 A260 L266V259-Q264 HydrophobicContact CG1-CB 4.19Å; A260-Q264 WeakPolarHBondContact CA-O 3.43Å; Q264-L266 PolarHBondContact O-N 3.44Å
265D76.2Confident82.1Confident77 Ų7773.2 Ų73.241%0.41239%0.386SS..  trans-78.3118.9-178.8-167.1-12.5000110.5K267 E268D265-K267 PolarHBondContact O-N 3.47Å; D265-K267 WeakPolarHBondContact OD1-CB 3.38Å; D265-K267 VanDerWaalsContact OD1-CG 3.28Å; D265-K267 WeakPolarHBondContact OD1-CG 3.42Å; D265-K267 PolarHBondContact OD1-N 2.93Å; D265-K267 IonicContact OD2-NZ 2.7Å; D265-E268 PolarHBondContact O-N 2.93Å; D265-E268 VanDerWaalsContact O-N 3.1Å
266L78.9Confident82.9Confident33 Ų3367.7 Ų67.717%0.17336%0.356CS..G310 helixtrans-58.7-17.7176.2-73.4172.2000113.1D248 Y252 T256 L257 A260 Q264 E268 E269D248-L266 HydrophobicContact CB-CD1 4.39Å; Y252-L266 HydrophobicContact CD1-CD2 4.34Å; Y252-L266 HydrophobicContact CD2-CD1 4.33Å; Y252-L266 HydrophobicContact CD2-CD2 3.99Å; Y252-L266 HydrophobicContact CE1-CD2 4.5Å; Y252-L266 HydrophobicContact CE2-CB 4.19Å; Y252-L266 HydrophobicContact CE2-CD1 4.28Å; Y252-L266 HydrophobicContact CE2-CD2 4.19Å; Y252-L266 HydrophobicContact CE2-CG 4.46Å; Y252-L266 HydrophobicContact CG-CD2 4.07Å; Y252-L266 PolarHBondContact OH-O 3.41Å; Y252-L266 VanDerWaalsContact OH-O 3.06Å; T256-L266 HydrophobicContact CG2-CD2 4.04Å; L257-L266 HydrophobicContact CD2-CD1 4.4Å; A260-L266 HydrophobicContact CB-CD1 4.07Å; A260-L266 HydrophobicContact CB-CD2 3.56Å; A260-L266 HydrophobicContact CB-CG 3.57Å; Q264-L266 PolarHBondContact O-N 3.44Å; L266-E268 PolarHBondContact O-N 3.44Å; L266-E269 PolarHBondContact O-N 2.91Å; L266-E269 VanDerWaalsContact O-N 3.14Å
267K74.3Confident83.7Confident177 Ų17767.6 Ų67.677%0.7736%0.358SS*.G310 helixtrans-66.9-20.9175.9-66.1175.1-164.71580113.9D265 E269D265-K267 PolarHBondContact O-N 3.47Å; D265-K267 WeakPolarHBondContact OD1-CB 3.38Å; D265-K267 VanDerWaalsContact OD1-CG 3.28Å; D265-K267 WeakPolarHBondContact OD1-CG 3.42Å; D265-K267 PolarHBondContact OD1-N 2.93Å; D265-K267 IonicContact OD2-NZ 2.7Å; K267-E269 VanDerWaalsContact C-N 3.29Å
268E79Confident84.5Confident159 Ų15967.4 Ų67.474%0.74336%0.359SS*.G310 helixtrans-83-11.5175.1-61.7-173.6175.400112.3D265 L266D265-E268 PolarHBondContact O-N 2.93Å; D265-E268 VanDerWaalsContact O-N 3.1Å; L266-E268 PolarHBondContact O-N 3.44Å
269E83.2Confident85.2Confident64 Ų6466.3 Ų66.330%0.29937%0.365SS..SBendtrans-97.7144.9-178.6-69.7-67.4164.400111.9Y252 T256 L266 K267Y252-E269 HydrophobicContact CD1-CB 4.12Å; Y252-E269 HydrophobicContact CE1-CB 3.7Å; T256-E269 HydrophobicContact CG2-CB 4.36Å; T256-E269 HydrophobicContact CG2-CG 3.87Å; L266-E269 PolarHBondContact O-N 2.91Å; L266-E269 VanDerWaalsContact O-N 3.14Å; K267-E269 VanDerWaalsContact C-N 3.29Å
270H85.7Confident86.2Confident90 Ų9064.6 Ų64.642%0.41735%0.353SS..PPolyproline II helixtrans-86.3135175.964.5-64.6000110.7W272H270-W272 AromaticContact NE2-CZ2 3.98Å
271P91.4Very high87.2Confident43 Ų4364 Ų6428%0.27935%0.347SS..PPolyproline II helixtrans-70145.7175.630.4-35.2000110.7I210 K251I210-P271 HydrophobicContact CD1-CG 4.44Å; K251-P271 HydrophobicContact CB-CB 4.09Å; K251-P271 HydrophobicContact CG-CB 4.48Å
272W90.8Very high88.2Confident43 Ų4359 Ų5916%0.16333%0.328CS..SBendtrans-89-14178.8-75.378000113.5P157 D158 K209 I210 K251 K253 H270P157-W272 HydrophobicContact CG-CH2 3.58Å; P157-W272 HydrophobicContact CG-CZ2 4.12Å; P157-W272 HydrophobicContact CG-CZ3 4.16Å; D158-W272 HydrophobicContact CB-CZ3 4.31Å; K209-W272 WeakPolarHBondContact CA-O 3.49Å; I210-W272 PolarHBondContact N-O 3.46Å; K251-W272 PolarHBondContact O-N 3.39Å; K253-W272 HydrophobicContact CD-CZ2 4.45Å; K253-W272 VanDerWaalsContact NZ-CH2 3.3Å; K253-W272 VanDerWaalsContact NZ-CZ2 3.33Å; H270-W272 AromaticContact NE2-CZ2 3.98Å
273V93.6Very high89.2Confident19 Ų1955 Ų5512%0.11530%0.302CS..EExtended strand (participates in β ladder)trans-132155.3-179.9-61.80000110.7I207 N208 F250I207-V273 HydrophobicContact CG2-CB 3.78Å; I207-V273 HydrophobicContact CG2-CG1 4.3Å; I207-V273 HydrophobicContact CG2-CG2 3.68Å; N208-V273 CarbonylContact O-C 3.59Å; N208-V273 WeakPolarHBondContact O-CA 3.48Å; N208-V273 WeakPolarHBondContact O-CB 3.42Å; F250-V273 WeakPolarHBondContact O-CG2 3.45Å
274D96Very high90.4Very high12 Ų1251.8 Ų51.86%0.06427%0.268CS..EExtended strand (participates in β ladder)trans-124164.4165.562.136.5000111.3I207 N208 I210 G211 T212 N213I207-D274 WeakPolarHBondContact CA-O 3.42Å; N208-D274 PolarHBondContact N-O 3.29Å; N208-D274 VanDerWaalsContact N-O 3.09Å; N208-D274 PolarHBondContact O-N 2.93Å; I210-D274 HydrophobicContact CD1-CB 3.79Å; G211-D274 PolarHBondContact N-OD2 3.08Å; T212-D274 WeakPolarHBondContact CB-OD1 3.44Å; T212-D274 PolarHBondContact N-OD2 3.41Å; T212-D274 VanDerWaalsContact N-OD2 3.11Å; N213-D274 HydrophobicContact CB-CB 4.24Å; N213-D274 PolarHBondContact N-OD1 2.89Å; N213-D274 PolarHBondContact N-OD2 3.26Å; N213-D274 VanDerWaalsContact N-OD2 3.08Å
275Y97.7Very high91.7Very high6 Ų647.5 Ų47.52%0.02425%0.248CC..EExtended strand (participates in β ladder)trans-93.9127.5171.2172.8-121.1000110.4V201 N203 I206 N213 P240 Q243 V246 A277 P278V201-Y275 HydrophobicContact CG2-CD2 4.37Å; V201-Y275 HydrophobicContact CG2-CE2 3.55Å; N203-Y275 VanDerWaalsContact CG-OH 3.31Å; N203-Y275 PolarHBondContact ND2-OH 3.41Å; N203-Y275 PolarHBondContact OD1-OH 2.9Å; I206-Y275 CarbonylContact O-C 3.44Å; I206-Y275 WeakPolarHBondContact O-CA 3.32Å; I206-Y275 WeakPolarHBondContact O-CD2 3.43Å; N213-Y275 WeakPolarHBondContact CB-O 3.48Å; N213-Y275 PolarHBondContact OD1-O 2.83Å; P240-Y275 HydrophobicContact CG-CD1 4.47Å; P240-Y275 HydrophobicContact CG-CD2 3.81Å; P240-Y275 HydrophobicContact CG-CE1 4.36Å; P240-Y275 HydrophobicContact CG-CE2 3.71Å; P240-Y275 HydrophobicContact CG-CG 4.21Å; P240-Y275 PolarHBondContact O-OH 3.02Å; Q243-Y275 PolarHBondContact NE2-O 3.46Å; V246-Y275 HydrophobicContact CG2-CG 4.4Å; Y275-A277 HydrophobicContact CE1-CB 4.3Å; Y275-P278 VanDerWaalsContact OH-CD 3.23Å; Y275-P278 WeakPolarHBondContact OH-CD 3.48Å
276T98.2Very high92.6Very high0 Ų043.8 Ų43.80%023%0.229CC..EExtended strand (participates in β ladder)trans-106.8119.5171.1-600000109G205 I206 N213 A216 F226 L280 I281G205-T276 CarbonylContact C-O 3.52Å; G205-T276 WeakPolarHBondContact CA-O 3.41Å; I206-T276 HydrophobicContact CG1-CG2 4.41Å; I206-T276 PolarHBondContact N-O 2.96Å; I206-T276 PolarHBondContact O-N 3.01Å; N213-T276 WeakPolarHBondContact CA-OG1 3.44Å; N213-T276 PolarHBondContact N-OG1 2.95Å; A216-T276 HydrophobicContact CB-CG2 3.42Å; A216-T276 VanDerWaalsContact CB-CG2 3.42Å; F226-T276 HydrophobicContact CE1-CG2 4.43Å; T276-L280 HydrophobicContact CG2-CB 4.18Å; T276-L280 HydrophobicContact CG2-CD1 4.29Å; T276-I281 HydrophobicContact CG2-CD1 4.4Å; T276-I281 HydrophobicContact CG2-CG1 4.09Å
277A97.7Very high93.4Very high27 Ų2743.6 Ų43.622%0.22323%0.228CC..  trans-65.9148.3-176.900000112.5Y275 S279 L280Y275-A277 HydrophobicContact CE1-CB 4.3Å; A277-S279 PolarHBondContact O-N 2.96Å; A277-S279 VanDerWaalsContact O-N 3.15Å; A277-L280 PolarHBondContact O-N 2.97Å; A277-L280 VanDerWaalsContact O-N 3.08Å
278P97.4Very high94.2Very high33 Ų3338.4 Ų38.421%0.21421%0.208CC..G310 helixtrans-59.5-28.8-178.423.5-35.5000113.7N203 Y275 L280 I281 P293N203-P278 VanDerWaalsContact O-CB 3.22Å; N203-P278 WeakPolarHBondContact O-CB 3.43Å; N203-P278 WeakPolarHBondContact O-CG 3.46Å; Y275-P278 VanDerWaalsContact OH-CD 3.23Å; Y275-P278 WeakPolarHBondContact OH-CD 3.48Å; P278-L280 PolarHBondContact O-N 3.44Å; P278-I281 PolarHBondContact O-N 3.43Å; P278-I281 VanDerWaalsContact O-N 3.13Å; P278-P293 HydrophobicContact CB-CB 3.57Å; P278-P293 HydrophobicContact CB-CG 4.35Å
279S97Very high95Very high80 Ų8031.7 Ų31.756%0.55918%0.181SC*.G310 helixtrans-65.5-18.7178.756.80000114.4K220 A277K220-S279 PolarHBondContact NZ-O 3.26Å; K220-S279 VanDerWaalsContact NZ-O 3.11Å; A277-S279 PolarHBondContact O-N 2.96Å; A277-S279 VanDerWaalsContact O-N 3.15Å
280L98Very high95.6Very high25 Ų2531.4 Ų31.413%0.13118%0.184CC..G310 helixtrans-93.2-13.9177.9-57175.6000112.3A216 V217 K220 F226 T276 A277 P278A216-L280 HydrophobicContact CB-CB 3.8Å; A216-L280 HydrophobicContact CB-CD1 4.01Å; V217-L280 HydrophobicContact CG2-CD1 3.76Å; V217-L280 HydrophobicContact CG2-CD2 4.44Å; K220-L280 HydrophobicContact CB-CD2 3.8Å; K220-L280 HydrophobicContact CG-CD2 3.95Å; F226-L280 WeakPolarHBondContact CB-O 3.33Å; T276-L280 HydrophobicContact CG2-CB 4.18Å; T276-L280 HydrophobicContact CG2-CD1 4.29Å; A277-L280 PolarHBondContact O-N 2.97Å; A277-L280 VanDerWaalsContact O-N 3.08Å; P278-L280 PolarHBondContact O-N 3.44Å
281I98.2Very high96.2Very high11 Ų1127.8 Ų27.86%0.05617%0.167CC..  trans-96.2128.4-176.3-56.8170.2000108.9G204 I206 F226 A228 T276 P278 L284 P293G204-I281 WeakPolarHBondContact O-CD1 3.44Å; I206-I281 HydrophobicContact CB-CD1 4.38Å; I206-I281 HydrophobicContact CD1-CD1 4.49Å; I206-I281 HydrophobicContact CG1-CD1 3.97Å; I206-I281 HydrophobicContact CG2-CD1 3.9Å; F226-I281 HydrophobicContact CD1-CB 4.47Å; F226-I281 HydrophobicContact CD1-CG1 4.15Å; F226-I281 HydrophobicContact CE1-CG1 4.23Å; A228-I281 HydrophobicContact CB-CG2 4.33Å; T276-I281 HydrophobicContact CG2-CD1 4.4Å; T276-I281 HydrophobicContact CG2-CG1 4.09Å; P278-I281 PolarHBondContact O-N 3.43Å; P278-I281 VanDerWaalsContact O-N 3.13Å; I281-L284 HydrophobicContact CG2-CD1 3.84Å; I281-L284 HydrophobicContact CG2-CG 4.14Å; I281-P293 HydrophobicContact CB-CG 4.11Å; I281-P293 HydrophobicContact CG2-CG 4.28Å
282T97.7Very high96.4Very high64 Ų6428.8 Ų28.839%0.39317%0.173SC..SBendtrans-81.8-51.6178.3-52.20000110.9P225 F226 Y227P225-T282 HydrophobicContact CB-CG2 4.29Å; F226-T282 PolarHBondContact N-OG1 3.48Å; F226-T282 WeakPolarHBondContact O-CA 3.46Å; F226-T282 VanDerWaalsContact O-CB 3.29Å; F226-T282 WeakPolarHBondContact O-CB 3Å; F226-T282 PolarHBondContact O-N 3.36Å; F226-T282 PolarHBondContact O-OG1 3.48Å; Y227-T282 HydrophobicContact CE1-CG2 3.94Å
283L98Very high96.6Very high32 Ų3227.6 Ų27.617%0.16817%0.171CC..EExtended strand (participates in β ladder)trans-147.3149.9178.7-68.2173.4000110.7F118 Y227 A228 F285 V290 T292F118-L283 HydrophobicContact CD1-CD1 4.39Å; F118-L283 HydrophobicContact CE1-CD1 3.82Å; F118-L283 HydrophobicContact CZ-CD1 4.42Å; Y227-L283 WeakPolarHBondContact CA-O 2.97Å; Y227-L283 HydrophobicContact CD1-CB 3.94Å; Y227-L283 HydrophobicContact CE1-CB 4.23Å; Y227-L283 HydrophobicContact CE1-CD1 4.09Å; Y227-L283 HydrophobicContact CE1-CG 4.33Å; A228-L283 PolarHBondContact N-O 2.69Å; L283-F285 HydrophobicContact CB-CE2 3.93Å; L283-F285 HydrophobicContact CB-CZ 4.36Å; L283-F285 HydrophobicContact CD1-CE2 4.49Å; L283-F285 HydrophobicContact CD1-CZ 4.17Å; L283-V290 HydrophobicContact CB-CG1 4.35Å; L283-V290 HydrophobicContact CD1-CG1 4.01Å; L283-V290 HydrophobicContact CD2-CG1 4.22Å; L283-V290 HydrophobicContact CG-CG1 4.43Å; L283-T292 HydrophobicContact CD2-CG2 4.21Å
284L98.2Very high96.6Very high2 Ų231.3 Ų31.31%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-107.7127.5168.2-65.693.1000109.6V200 I206 A228 I281 T286 L291 P293 V296V200-L284 HydrophobicContact CG1-CD2 3.56Å; V200-L284 HydrophobicContact CG2-CD2 4.24Å; I206-L284 HydrophobicContact CG2-CD2 4.12Å; A228-L284 HydrophobicContact CB-CG 4.32Å; A228-L284 CarbonylContact O-C 3.57Å; A228-L284 VanDerWaalsContact O-CA 3.32Å; A228-L284 WeakPolarHBondContact O-CA 3.47Å; I281-L284 HydrophobicContact CG2-CD1 3.84Å; I281-L284 HydrophobicContact CG2-CG 4.14Å; L284-T286 HydrophobicContact CB-CG2 4.4Å; L284-L291 HydrophobicContact CB-CB 4.36Å; L284-L291 PolarHBondContact N-O 2.82Å; L284-L291 PolarHBondContact O-N 3.29Å; L284-P293 HydrophobicContact CD1-CB 4.18Å; L284-P293 HydrophobicContact CD1-CG 3.81Å; L284-V296 HydrophobicContact CD1-CG2 4.2Å; L284-V296 HydrophobicContact CD2-CG2 4.12Å
285F98.2Very high96.5Very high0 Ų031.9 Ų31.90%020%0.204CC..EExtended strand (participates in β ladder)trans-103.7117.7175.9-69.1-89.1000109.4I111 L114 C115 F118 Y227 A228 V229 A230 L283 V290I111-F285 HydrophobicContact CG2-CB 4.21Å; L114-F285 HydrophobicContact CB-CD1 4.34Å; C115-F285 HydrophobicContact CB-CB 4.03Å; C115-F285 HydrophobicContact CB-CD1 3.67Å; C115-F285 HydrophobicContact CB-CD2 4.3Å; C115-F285 HydrophobicContact CB-CE1 4.22Å; C115-F285 HydrophobicContact CB-CG 3.73Å; F118-F285 HydrophobicContact CB-CZ 4.15Å; F118-F285 HydrophobicContact CD1-CE1 4.46Å; F118-F285 AromaticContact CD1-CZ 3.85Å; F118-F285 HydrophobicContact CD1-CZ 3.85Å; F118-F285 AromaticContact CD2-CE1 3.38Å; F118-F285 HydrophobicContact CD2-CE1 3.38Å; F118-F285 AromaticContact CD2-CZ 3.55Å; F118-F285 HydrophobicContact CD2-CZ 3.55Å; F118-F285 HydrophobicContact CE1-CZ 4.1Å; F118-F285 AromaticContact CE2-CE1 3.47Å; F118-F285 HydrophobicContact CE2-CE1 3.47Å; F118-F285 VanDerWaalsContact CE2-CE1 3.47Å; F118-F285 AromaticContact CE2-CZ 3.85Å; F118-F285 HydrophobicContact CE2-CZ 3.85Å; F118-F285 AromaticContact CG-CE1 3.93Å; F118-F285 HydrophobicContact CG-CE1 3.93Å; F118-F285 AromaticContact CG-CZ 3.57Å; F118-F285 HydrophobicContact CG-CZ 3.57Å; F118-F285 HydrophobicContact CZ-CE1 4.05Å; F118-F285 HydrophobicContact CZ-CZ 4.1Å; Y227-F285 AromaticContact CD1-CE2 3.86Å; Y227-F285 HydrophobicContact CD1-CE2 3.86Å; Y227-F285 HydrophobicContact CD2-CE2 4.16Å; Y227-F285 HydrophobicContact CE1-CE2 4.48Å; Y227-F285 HydrophobicContact CG-CD2 4.45Å; Y227-F285 AromaticContact CG-CE2 3.68Å; Y227-F285 HydrophobicContact CG-CE2 3.68Å; A228-F285 PolarHBondContact O-N 2.99Å; V229-F285 WeakPolarHBondContact CA-O 3.47Å; V229-F285 HydrophobicContact CB-CB 4.5Å; V229-F285 HydrophobicContact CG1-CB 3.67Å; V229-F285 HydrophobicContact CG1-CD2 4.33Å; V229-F285 HydrophobicContact CG1-CG 4.29Å; A230-F285 PolarHBondContact N-O 3.37Å; L283-F285 HydrophobicContact CB-CE2 3.93Å; L283-F285 HydrophobicContact CB-CZ 4.36Å; L283-F285 HydrophobicContact CD1-CE2 4.49Å; L283-F285 HydrophobicContact CD1-CZ 4.17Å; F285-V290 HydrophobicContact CD1-CB 4.47Å; F285-V290 HydrophobicContact CD1-CG1 4.17Å; F285-V290 HydrophobicContact CD1-CG2 3.74Å; F285-V290 HydrophobicContact CE1-CB 4.37Å; F285-V290 HydrophobicContact CE1-CG1 3.8Å; F285-V290 HydrophobicContact CE1-CG2 3.67Å; F285-V290 HydrophobicContact CZ-CG1 4.14Å
286T96.5Very high96.2Very high0 Ų031.6 Ų31.60%020%0.203CC..EExtended strand (participates in β ladder)trans-134.9167.6-173.374.90000110.9I111 L114 A230 F235 L284 L288 G289 L291I111-T286 VanDerWaalsContact CG1-C 3.4Å; L114-T286 WeakPolarHBondContact CD1-O 3.44Å; A230-T286 WeakPolarHBondContact O-CA 3.31Å; A230-T286 WeakPolarHBondContact O-CB 3.33Å; F235-T286 HydrophobicContact CE1-CG2 3.99Å; F235-T286 HydrophobicContact CZ-CG2 3.76Å; L284-T286 HydrophobicContact CB-CG2 4.4Å; T286-L288 PolarHBondContact O-N 2.66Å; T286-L288 PolarHBondContact OG1-N 3.21Å; T286-G289 PolarHBondContact N-O 3.09Å; T286-G289 PolarHBondContact O-N 3.49Å; T286-G289 PolarHBondContact OG1-N 3.11Å; T286-G289 PolarHBondContact OG1-O 3.33Å; T286-L291 HydrophobicContact CG2-CD1 4.06Å
287D94.1Very high95.8Very high28 Ų2833.9 Ų33.915%0.1522%0.219CC..THydrogen-bonded Turntrans-71.4-7.5172.959.4-55000113.6K110 I111 S232K110-D287 HydrophobicContact CB-CB 4.3Å; K110-D287 HydrophobicContact CD-CB 4.2Å; I111-D287 HydrophobicContact CG1-CB 4.35Å; S232-D287 WeakPolarHBondContact CA-OD1 3.24Å; S232-D287 WeakPolarHBondContact CB-OD1 3.28Å; S232-D287 PolarHBondContact N-OD1 2.89Å; S232-D287 VanDerWaalsContact OG-CG 3.24Å; S232-D287 PolarHBondContact OG-OD1 3.47Å; S232-D287 PolarHBondContact OG-OD2 2.94Å
288L92.9Very high95.5Very high68 Ų6837.2 Ų37.236%0.35623%0.233SC..THydrogen-bonded Turntrans-87.4-14.9168.3-56178000112.5T286 E299 L303T286-L288 PolarHBondContact O-N 2.66Å; T286-L288 PolarHBondContact OG1-N 3.21Å; L288-E299 HydrophobicContact CD1-CB 3.98Å; L288-E299 HydrophobicContact CD1-CG 4.33Å; L288-L303 HydrophobicContact CD1-CD1 4Å; L288-L303 HydrophobicContact CD1-CD2 4.28Å; L288-L303 HydrophobicContact CD1-CG 4.2Å; L288-L303 HydrophobicContact CD2-CD2 4.44Å
289G94.9Very high95Very high18 Ų1837.5 Ų37.519%0.18623%0.231CC..EExtended strand (participates in β ladder)trans132.2-168.8-177.200000113.1T286T286-G289 PolarHBondContact N-O 3.09Å; T286-G289 PolarHBondContact O-N 3.49Å; T286-G289 PolarHBondContact OG1-N 3.11Å; T286-G289 PolarHBondContact OG1-O 3.33Å
290V96.6Very high94.4Very high58 Ų5834 Ų3435%0.35221%0.206SC..EExtended strand (participates in β ladder)trans-89.7116.6173.5-171.70000108.2L114 F118 L283 F285L114-V290 HydrophobicContact CB-CG2 4.38Å; F118-V290 HydrophobicContact CE2-CG2 4.35Å; F118-V290 HydrophobicContact CZ-CG1 4.44Å; L283-V290 HydrophobicContact CB-CG1 4.35Å; L283-V290 HydrophobicContact CD1-CG1 4.01Å; L283-V290 HydrophobicContact CD2-CG1 4.22Å; L283-V290 HydrophobicContact CG-CG1 4.43Å; F285-V290 HydrophobicContact CD1-CB 4.47Å; F285-V290 HydrophobicContact CD1-CG1 4.17Å; F285-V290 HydrophobicContact CD1-CG2 3.74Å; F285-V290 HydrophobicContact CE1-CB 4.37Å; F285-V290 HydrophobicContact CE1-CG1 3.8Å; F285-V290 HydrophobicContact CE1-CG2 3.67Å; F285-V290 HydrophobicContact CZ-CG1 4.14Å
291L96.4Very high93.7Very high14 Ų1437 Ų377%0.07322%0.222CC..EExtended strand (participates in β ladder)trans-113.4143.4-174.3-54.2179000110.5F235 L284 T286 A295 E299F235-L291 HydrophobicContact CE2-CD1 4.21Å; F235-L291 HydrophobicContact CZ-CD1 4.11Å; L284-L291 HydrophobicContact CB-CB 4.36Å; L284-L291 PolarHBondContact N-O 2.82Å; L284-L291 PolarHBondContact O-N 3.29Å; T286-L291 HydrophobicContact CG2-CD1 4.06Å; L291-A295 HydrophobicContact CB-CB 4.41Å; L291-A295 HydrophobicContact CD2-CB 4.43Å; L291-E299 HydrophobicContact CD1-CB 4.43Å; L291-E299 HydrophobicContact CD1-CG 3.97Å; L291-E299 HydrophobicContact CD2-CG 3.94Å
292T96.1Very high93.1Very high65 Ų6542.5 Ų42.540%0.39925%0.245SC..  trans-79.5156.3158.358.70000109L283 S294 A295L283-T292 HydrophobicContact CD2-CG2 4.21Å; T292-S294 PolarHBondContact O-N 2.86Å; T292-S294 VanDerWaalsContact O-N 3.13Å; T292-S294 PolarHBondContact OG1-OG 3.31Å; T292-A295 WeakPolarHBondContact O-CB 3.49Å; T292-A295 PolarHBondContact O-N 2.89Å
293P94.8Very high92.1Very high18 Ų1841.8 Ų41.812%0.11724%0.239CC..G310 helixtrans-52.3-37176.4-27.734.4000113.5G204 P278 I281 L284 A295 V296G204-P293 WeakPolarHBondContact CA-O 3.44Å; P278-P293 HydrophobicContact CB-CB 3.57Å; P278-P293 HydrophobicContact CB-CG 4.35Å; I281-P293 HydrophobicContact CB-CG 4.11Å; I281-P293 HydrophobicContact CG2-CG 4.28Å; L284-P293 HydrophobicContact CD1-CB 4.18Å; L284-P293 HydrophobicContact CD1-CG 3.81Å; P293-A295 VanDerWaalsContact C-N 3.31Å; P293-A295 PolarHBondContact O-N 2.88Å; P293-V296 WeakPolarHBondContact O-CB 3.42Å; P293-V296 WeakPolarHBondContact O-CG2 3.36Å; P293-V296 PolarHBondContact O-N 2.94Å
294S93.6Very high90.8Very high96 Ų9640.7 Ų40.767%0.67123%0.232SC*.G310 helixtrans-65.4-29177.660.90000114.2T292 V296T292-S294 PolarHBondContact O-N 2.86Å; T292-S294 VanDerWaalsContact O-N 3.13Å; T292-S294 PolarHBondContact OG1-OG 3.31Å; S294-V296 VanDerWaalsContact C-N 3.27Å; S294-V296 PolarHBondContact O-N 2.87Å
295A93.7Very high89.1Confident25 Ų2548.1 Ų48.121%0.20727%0.271CS..G310 helixtrans-77.7-12.8-179.300000112.9L291 T292 P293 S297 D298 E299L291-A295 HydrophobicContact CB-CB 4.41Å; L291-A295 HydrophobicContact CD2-CB 4.43Å; T292-A295 WeakPolarHBondContact O-CB 3.49Å; T292-A295 PolarHBondContact O-N 2.89Å; P293-A295 VanDerWaalsContact C-N 3.31Å; P293-A295 PolarHBondContact O-N 2.88Å; A295-S297 VanDerWaalsContact C-N 3.32Å; A295-S297 PolarHBondContact O-N 2.77Å; A295-D298 PolarHBondContact O-N 2.88Å; A295-E299 PolarHBondContact O-N 2.62Å
296V92.6Very high88.7Confident0 Ų050.5 Ų50.50%029%0.285CS..Hα-helixtrans-63.4-38.2-177.5173.10000111.8V200 V201 F235 L284 P293 S294 D298 E299 L300V200-V296 HydrophobicContact CG1-CG1 3.82Å; V200-V296 HydrophobicContact CG1-CG2 4.35Å; V201-V296 WeakPolarHBondContact O-CG1 3.19Å; F235-V296 HydrophobicContact CD2-CG1 4.2Å; F235-V296 HydrophobicContact CE2-CG1 3.84Å; F235-V296 HydrophobicContact CZ-CG1 4.39Å; L284-V296 HydrophobicContact CD1-CG2 4.2Å; L284-V296 HydrophobicContact CD2-CG2 4.12Å; P293-V296 WeakPolarHBondContact O-CB 3.42Å; P293-V296 WeakPolarHBondContact O-CG2 3.36Å; P293-V296 PolarHBondContact O-N 2.94Å; S294-V296 VanDerWaalsContact C-N 3.27Å; S294-V296 PolarHBondContact O-N 2.87Å; V296-D298 PolarHBondContact O-N 3.28Å; V296-E299 PolarHBondContact O-N 3.1Å; V296-L300 HydrophobicContact CG1-CD1 4.03Å; V296-L300 WeakPolarHBondContact O-CB 3.46Å; V296-L300 PolarHBondContact O-N 2.81Å
297S89.9Confident88.3Confident48 Ų4853.2 Ų53.234%0.33630%0.3SS..Hα-helixtrans-62.5-43.1178.6-169.10000111.7A295 E299 L300 I301A295-S297 VanDerWaalsContact C-N 3.32Å; A295-S297 PolarHBondContact O-N 2.77Å; S297-E299 PolarHBondContact O-N 2.74Å; S297-L300 WeakPolarHBondContact O-CB 3.43Å; S297-L300 PolarHBondContact O-N 3.14Å; S297-I301 WeakPolarHBondContact O-CG1 3.47Å; S297-I301 PolarHBondContact O-N 3.2Å
298D89.9Confident87.9Confident97 Ų9754.6 Ų54.652%0.51931%0.308SS..Hα-helixtrans-64.4-41.3178.2-66.1-25000111.8A295 V296 I301 K302A295-D298 PolarHBondContact O-N 2.88Å; V296-D298 PolarHBondContact O-N 3.28Å; D298-I301 PolarHBondContact O-N 3.38Å; D298-K302 WeakPolarHBondContact O-CG 3.46Å; D298-K302 PolarHBondContact O-N 3.44Å; D298-K302 VanDerWaalsContact O-N 3.13Å
299E88.8Confident87.6Confident38 Ų3853.8 Ų53.818%0.17831%0.305CS..Hα-helixtrans-69.5-36.7177.1-68-52.3131.200112.4L288 L291 A295 V296 S297 I301 K302 L303L288-E299 HydrophobicContact CD1-CB 3.98Å; L288-E299 HydrophobicContact CD1-CG 4.33Å; L291-E299 HydrophobicContact CD1-CB 4.43Å; L291-E299 HydrophobicContact CD1-CG 3.97Å; L291-E299 HydrophobicContact CD2-CG 3.94Å; A295-E299 PolarHBondContact O-N 2.62Å; V296-E299 PolarHBondContact O-N 3.1Å; S297-E299 PolarHBondContact O-N 2.74Å; E299-I301 VanDerWaalsContact C-N 3.34Å; E299-I301 PolarHBondContact O-N 3.3Å; E299-K302 PolarHBondContact O-N 3.06Å; E299-K302 IonicContact OE1-NZ 3.43Å; E299-K302 PolarHBondContact OE1-NZ 3.39Å; E299-L303 WeakPolarHBondContact O-CB 3.4Å; E299-L303 VanDerWaalsContact O-CG 3.31Å; E299-L303 WeakPolarHBondContact O-CG 3.2Å; E299-L303 PolarHBondContact O-N 2.92Å
300L83.9Confident87.2Confident7 Ų756 Ų564%0.03731%0.313CS..Hα-helixtrans-60.5-43.8171.6-92.1166.2000111.8E202 F235 V296 S297 K302 L303 Y304E202-L300 HydrophobicContact CB-CD1 4.02Å; E202-L300 HydrophobicContact CG-CD1 3.85Å; F235-L300 HydrophobicContact CB-CD2 3.59Å; F235-L300 HydrophobicContact CB-CG 4.15Å; F235-L300 HydrophobicContact CD2-CD2 4.28Å; F235-L300 HydrophobicContact CD2-CG 3.95Å; F235-L300 HydrophobicContact CG-CD2 4.47Å; V296-L300 HydrophobicContact CG1-CD1 4.03Å; V296-L300 WeakPolarHBondContact O-CB 3.46Å; V296-L300 PolarHBondContact O-N 2.81Å; S297-L300 WeakPolarHBondContact O-CB 3.43Å; S297-L300 PolarHBondContact O-N 3.14Å; L300-K302 VanDerWaalsContact C-N 3.29Å; L300-K302 PolarHBondContact O-N 3.29Å; L300-L303 PolarHBondContact O-N 3.49Å; L300-Y304 HydrophobicContact CD2-CD2 3.93Å; L300-Y304 HydrophobicContact CD2-CE2 3.51Å; L300-Y304 VanDerWaalsContact O-CD2 3.26Å; L300-Y304 WeakPolarHBondContact O-CD2 3.41Å; L300-Y304 PolarHBondContact O-N 2.92Å
301I83.5Confident86.6Confident87 Ų8755.9 Ų55.945%0.44631%0.31SS..Hα-helixtrans-58.9-44.6175.8-69165.3000109.9S297 D298 E299 L303 Y304 L305S297-I301 WeakPolarHBondContact O-CG1 3.47Å; S297-I301 PolarHBondContact O-N 3.2Å; D298-I301 PolarHBondContact O-N 3.38Å; E299-I301 VanDerWaalsContact C-N 3.34Å; E299-I301 PolarHBondContact O-N 3.3Å; I301-L303 PolarHBondContact O-N 2.98Å; I301-Y304 PolarHBondContact O-N 3.41Å; I301-L305 HydrophobicContact CG2-CD1 3.41Å; I301-L305 VanDerWaalsContact CG2-CD1 3.41Å; I301-L305 HydrophobicContact CG2-CG 3.94Å; I301-L305 WeakPolarHBondContact O-CB 3.46Å; I301-L305 VanDerWaalsContact O-CG 3.23Å; I301-L305 WeakPolarHBondContact O-CG 3.23Å; I301-L305 PolarHBondContact O-N 3.04Å
302K84Confident85.9Confident128 Ų12858.9 Ų58.956%0.55733%0.327SS*.Hα-helixtrans-66.7-34.3177.9-66.2170.8-166.1167.70114D298 E299 L300 Y304D298-K302 WeakPolarHBondContact O-CG 3.46Å; D298-K302 PolarHBondContact O-N 3.44Å; D298-K302 VanDerWaalsContact O-N 3.13Å; E299-K302 PolarHBondContact O-N 3.06Å; E299-K302 IonicContact OE1-NZ 3.43Å; E299-K302 PolarHBondContact OE1-NZ 3.39Å; L300-K302 VanDerWaalsContact C-N 3.29Å; L300-K302 PolarHBondContact O-N 3.29Å; K302-Y304 VanDerWaalsContact C-N 3.32Å
303L76.4Confident85.1Confident48 Ų4858.4 Ų58.425%0.25132%0.321SS..Hα-helixtrans-70.7-31.4178.1-76.1173.4000112.3L71 F235 L288 E299 L300 I301L71-L303 HydrophobicContact CD2-CB 4.36Å; F235-L303 HydrophobicContact CB-CD1 4.34Å; F235-L303 HydrophobicContact CD2-CD1 4.05Å; F235-L303 HydrophobicContact CG-CD1 4.41Å; L288-L303 HydrophobicContact CD1-CD1 4Å; L288-L303 HydrophobicContact CD1-CD2 4.28Å; L288-L303 HydrophobicContact CD1-CG 4.2Å; L288-L303 HydrophobicContact CD2-CD2 4.44Å; E299-L303 WeakPolarHBondContact O-CB 3.4Å; E299-L303 VanDerWaalsContact O-CG 3.31Å; E299-L303 WeakPolarHBondContact O-CG 3.2Å; E299-L303 PolarHBondContact O-N 2.92Å; L300-L303 PolarHBondContact O-N 3.49Å; I301-L303 PolarHBondContact O-N 2.98Å
304Y71.4Confident84.3Confident10 Ų1061.8 Ų61.84%0.03934%0.338CS..Hα-helixtrans-99.5-17.5-178.5-73.2-101.6000112.6E70 L71 R74 F235 R237 L300 I301 K302E70-Y304 HydrophobicContact CG-CE1 4.38Å; L71-Y304 HydrophobicContact CD2-CD1 4.42Å; L71-Y304 HydrophobicContact CD2-CD2 4Å; L71-Y304 HydrophobicContact CD2-CE1 4.05Å; L71-Y304 HydrophobicContact CD2-CE2 3.59Å; L71-Y304 HydrophobicContact CD2-CG 4.41Å; L71-Y304 HydrophobicContact CG-CE2 4.35Å; R74-Y304 PolarHBondContact NE-O 3.31Å; R74-Y304 PolarHBondContact NH2-O 2.78Å; F235-Y304 PolarHBondContact O-OH 3.46Å; R237-Y304 HydrophobicContact CG-CD1 4.43Å; R237-Y304 HydrophobicContact CG-CE1 4.03Å; R237-Y304 HydrophobicContact CG-CE2 4.16Å; L300-Y304 HydrophobicContact CD2-CD2 3.93Å; L300-Y304 HydrophobicContact CD2-CE2 3.51Å; L300-Y304 VanDerWaalsContact O-CD2 3.26Å; L300-Y304 WeakPolarHBondContact O-CD2 3.41Å; L300-Y304 PolarHBondContact O-N 2.92Å; I301-Y304 PolarHBondContact O-N 3.41Å; K302-Y304 VanDerWaalsContact C-N 3.32Å
305L63.4Low83.4Confident157 Ų15758.6 Ų58.682%0.82231%0.308SS*.  trans-71.50170.2-75.8173.5000111.7I301I301-L305 HydrophobicContact CG2-CD1 3.41Å; I301-L305 VanDerWaalsContact CG2-CD1 3.41Å; I301-L305 HydrophobicContact CG2-CG 3.94Å; I301-L305 WeakPolarHBondContact O-CB 3.46Å; I301-L305 VanDerWaalsContact O-CG 3.23Å; I301-L305 WeakPolarHBondContact O-CG 3.23Å; I301-L305 PolarHBondContact O-N 3.04Å

Retrieved 305 of 305 residues in 2188.4 ms (Link to these results)

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