A0A096MWB4_PAPAN Loading...

C->U-editing enzyme APOBEC-1

Cytidine deaminase catalyzing the cytidine to uridine postranscriptional editing of a variety of mRNAs. Form complexes with cofactors that confer differential editing activity and selectivity. Responsible for the postranscriptional editing of a CAA codon for Gln to a UAA codon for stop in the apolipoprotein B mRNA. Also involved in CGA (Arg) to UGA (Stop) editing in the NF1 mRNA. May also play a role in the epigenetic regulation of gene expression by participating in DNA demethylation.

AlphaFold DB , UniProt , Accession A0A096MWB4, Species PAPAN (Papio anubis, Olive baboon), Gene APOBEC1, Length 236 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.4Very low46Very low248 Ų248104.9 Ų104.9100%1.22261%0.612SS**  090.40-67.2-171.4-176.200107.6
2T34.4Very low46.5Very low133 Ų133104.8 Ų104.882%0.81662%0.617SS**  trans-72.7125.4-179.636.80000108.7E4T2-E4 PolarHBondContact O-N 2.88Å
3S38.6Very low47.3Very low91 Ų9197.7 Ų97.764%0.63658%0.576SS**  trans-66101.1179.2-169.50000109.3K5S3-K5 PolarHBondContact O-N 3.35Å; S3-K5 VanDerWaalsContact OG-CE 3.27Å; S3-K5 WeakPolarHBondContact OG-CE 3.29Å; S3-K5 WeakPolarHBondContact OG-CG 3.37Å
4E43.6Very low47.9Very low163 Ų16394.8 Ų94.876%0.76256%0.556SS**  trans-66.480.4168.5-68.8176.3169.300109.1T2 P161T2-E4 PolarHBondContact O-N 2.88Å; E4-P161 HydrophobicContact CB-CB 4.27Å
5K47.8Very low48.8Very low154 Ų154105 Ų10567%0.6758%0.581SS**  trans-93.9108.6174.2-76.1178.7178.7179.70108.5S3S3-K5 PolarHBondContact O-N 3.35Å; S3-K5 VanDerWaalsContact OG-CE 3.27Å; S3-K5 WeakPolarHBondContact OG-CE 3.29Å; S3-K5 WeakPolarHBondContact OG-CG 3.37Å
6G54.4Low50.6Low19 Ų19105.6 Ų105.620%0.19657%0.572CS.*  trans-64.6-177151.500000110.3S8G6-S8 PolarHBondContact O-N 3.1Å
7P56.1Low52.9Low18 Ų18101.2 Ų101.212%0.11755%0.545CS..SBendtrans-51.7129.7178.619.8-29.8000110.4T9 L14 Y159P7-T9 PolarHBondContact O-N 3.43Å; P7-L14 HydrophobicContact CB-CD2 3.88Å; P7-L14 HydrophobicContact CG-CD2 3.86Å; P7-Y159 WeakPolarHBondContact CD-O 3.44Å
8S50.4Low55.1Low83 Ų8395.8 Ų95.858%0.5852%0.516SS*.  trans-46127.9-170-179.10000111.6G6 G10 D11G6-S8 PolarHBondContact O-N 3.1Å; S8-G10 PolarHBondContact O-N 3.11Å; S8-D11 WeakPolarHBondContact O-CB 3.43Å; S8-D11 PolarHBondContact O-N 2.9Å
9T47.3Very low57.1Low144 Ų14494.6 Ų94.688%0.88351%0.507SS*.THydrogen-bonded Turntrans-58.6-12178.746.60000113.7P7P7-T9 PolarHBondContact O-N 3.43Å
10G45.9Very low58.9Low63 Ų6391.2 Ų91.265%0.64949%0.49SS*.THydrogen-bonded Turntrans-95.95.3172.700000115.6S8 P12S8-G10 PolarHBondContact O-N 3.11Å; G10-P12 WeakPolarHBondContact O-CD 3.41Å
11D52.2Low60.4Low38 Ų3894 Ų9420%0.20349%0.493CS..  trans-78.3110.2177.3-176.7-5.3000110.5S8 T13 L14 R17S8-D11 WeakPolarHBondContact O-CB 3.43Å; S8-D11 PolarHBondContact O-N 2.9Å; D11-T13 PolarHBondContact O-N 3.04Å; D11-T13 WeakPolarHBondContact OD1-CB 3.4Å; D11-T13 WeakPolarHBondContact OD1-CG2 3.4Å; D11-T13 PolarHBondContact OD1-N 3.41Å; D11-T13 PolarHBondContact OD1-OG1 3Å; D11-T13 PolarHBondContact OD2-OG1 3.09Å; D11-L14 HydrophobicContact CB-CG 4.22Å; D11-L14 WeakPolarHBondContact O-CG 3.5Å; D11-L14 PolarHBondContact O-N 3.4Å; D11-L14 VanDerWaalsContact O-N 3.14Å; D11-R17 IonicContact OD2-CZ 2.65Å; D11-R17 IonicContact OD2-NE 2.98Å; D11-R17 IonicContact OD2-NH2 3.97Å; D11-R17 PolarHBondContact OD2-NH2 3.18Å
12P52.2Low63.1Low103 Ų10383.5 Ų83.567%0.66944%0.442SS*.THydrogen-bonded Turntrans-64.5-4.5-179.627.9-34.5000113.5G10G10-P12 WeakPolarHBondContact O-CD 3.41Å
13T56.3Low66Low13 Ų1377.2 Ų77.28%0.0840%0.403CS..THydrogen-bonded Turntrans-95-2.4177.571.80000114.4D11 R15 R16 R52D11-T13 PolarHBondContact O-N 3.04Å; D11-T13 WeakPolarHBondContact OD1-CB 3.4Å; D11-T13 WeakPolarHBondContact OD1-CG2 3.4Å; D11-T13 PolarHBondContact OD1-N 3.41Å; D11-T13 PolarHBondContact OD1-OG1 3Å; D11-T13 PolarHBondContact OD2-OG1 3.09Å; T13-R15 VanDerWaalsContact C-N 3.26Å; T13-R15 PolarHBondContact O-N 3.25Å; T13-R15 VanDerWaalsContact O-N 3.12Å; T13-R16 WeakPolarHBondContact O-CA 3.38Å; T13-R16 WeakPolarHBondContact O-CB 3.43Å; T13-R16 PolarHBondContact O-N 3.36Å; T13-R52 HydrophobicContact CG2-CB 4.25Å
14L56.6Low68.5Low57 Ų5775.9 Ų75.930%0.29839%0.389SS..G310 helixtrans-50.1-41.3-178.3-78.3168.6000113.7P7 D11 R16 R17P7-L14 HydrophobicContact CB-CD2 3.88Å; P7-L14 HydrophobicContact CG-CD2 3.86Å; D11-L14 HydrophobicContact CB-CG 4.22Å; D11-L14 WeakPolarHBondContact O-CG 3.5Å; D11-L14 PolarHBondContact O-N 3.4Å; D11-L14 VanDerWaalsContact O-N 3.14Å; L14-R16 PolarHBondContact O-N 3.11Å; L14-R17 PolarHBondContact O-N 2.88Å
15R60.6Low70.7Confident248 Ų24871 Ų7194%0.93637%0.367SS*.G310 helixtrans-73.1-3.7179.1-64-173.9-178.5-177.50.2114.8T13T13-R15 VanDerWaalsContact C-N 3.26Å; T13-R15 PolarHBondContact O-N 3.25Å; T13-R15 VanDerWaalsContact O-N 3.12Å
16R78.6Confident73Confident115 Ų11564 Ų6443%0.43434%0.337SS..G310 helixtrans-115.75.5-175.8-56.3178.4-176.1170.7-1.4112.3T13 L14 R52T13-R16 WeakPolarHBondContact O-CA 3.38Å; T13-R16 WeakPolarHBondContact O-CB 3.43Å; T13-R16 PolarHBondContact O-N 3.36Å; L14-R16 PolarHBondContact O-N 3.11Å; R16-R52 WeakPolarHBondContact CD-O 3.3Å
17R88.6Confident74.9Confident31 Ų3163.1 Ų63.112%0.11733%0.327CS..PPolyproline II helixtrans-79.9152.2176.6-67.6-178.4175.6-123.10.2110.1D11 L14 R154 F156 V157 N158D11-R17 IonicContact OD2-CZ 2.65Å; D11-R17 IonicContact OD2-NE 2.98Å; D11-R17 IonicContact OD2-NH2 3.97Å; D11-R17 PolarHBondContact OD2-NH2 3.18Å; L14-R17 PolarHBondContact O-N 2.88Å; R17-R154 PolarHBondContact NH1-O 3.04Å; R17-R154 VanDerWaalsContact NH1-O 3.17Å; R17-F156 CarbonylContact C-O 3.56Å; R17-F156 WeakPolarHBondContact CA-O 3.33Å; R17-F156 VanDerWaalsContact CB-O 3.26Å; R17-F156 WeakPolarHBondContact CB-O 3.31Å; R17-V157 PolarHBondContact NH1-O 2.83Å; R17-N158 HydrophobicContact CB-CB 4.08Å
18I92.6Very high76.6Confident4 Ų462.9 Ų62.92%0.02133%0.325CS..BIsolated β-bridgetrans-96.5156.7172.359.1168.3000109.7E22 F23 L39 F156 V157 N158I18-E22 HydrophobicContact CB-CB 4.43Å; I18-F23 HydrophobicContact CD1-CB 3.89Å; I18-F23 HydrophobicContact CD1-CD2 3.95Å; I18-F23 HydrophobicContact CD1-CG 4.43Å; I18-L39 HydrophobicContact CD1-CD1 4.48Å; I18-L39 HydrophobicContact CD1-CD2 4.01Å; I18-L39 HydrophobicContact CG1-CD2 4.41Å; I18-L39 HydrophobicContact CG2-CD2 4.45Å; I18-F156 PolarHBondContact N-O 3.45Å; I18-V157 HydrophobicContact CD1-CG2 4.48Å; I18-V157 HydrophobicContact CG1-CG2 4.2Å; I18-V157 CarbonylContact O-C 3.59Å; I18-V157 WeakPolarHBondContact O-CA 3.49Å; I18-N158 PolarHBondContact O-N 3.48Å
19E93.1Very high78.5Confident73 Ų7359 Ų5934%0.34130%0.298SS..PPolyproline II helixtrans-75152.2178.3-66.9-60.7133.300111.5W21 E22 F23 N158E19-W21 VanDerWaalsContact C-N 3.31Å; E19-W21 HydrophobicContact CB-CG 4.36Å; E19-W21 PolarHBondContact O-N 3.45Å; E19-E22 HydrophobicContact CB-CG 4.13Å; E19-E22 PolarHBondContact N-OE2 3.2Å; E19-E22 WeakPolarHBondContact O-CB 3.23Å; E19-E22 PolarHBondContact O-N 2.93Å; E19-F23 PolarHBondContact O-N 3.15Å; E19-N158 PolarHBondContact OE1-ND2 2.94Å
20P92.8Very high80.5Confident25 Ų2557 Ų5716%0.16227%0.274CS..Hα-helixtrans-53-44.8179.8-29.836.3000114E22 F23 D24 W153 V157 N158P20-E22 VanDerWaalsContact C-N 3.26Å; P20-E22 PolarHBondContact O-N 2.95Å; P20-F23 WeakPolarHBondContact O-CB 3.17Å; P20-F23 PolarHBondContact O-N 3.25Å; P20-F23 VanDerWaalsContact O-N 3.11Å; P20-D24 PolarHBondContact O-N 3.08Å; P20-W153 HydrophobicContact CB-CH2 3.82Å; P20-W153 HydrophobicContact CB-CZ3 4.05Å; P20-W153 HydrophobicContact CG-CH2 4.32Å; P20-V157 HydrophobicContact CB-CG1 4.13Å; P20-V157 HydrophobicContact CG-CG1 3.82Å; P20-N158 WeakPolarHBondContact CD-O 3.28Å; P20-N158 WeakPolarHBondContact CG-O 3.42Å
21W91.4Very high82.5Confident150 Ų15057.2 Ų57.257%0.56826%0.258SS*.Hα-helixtrans-65-30.7178.565.2-92.7000112.3E19 I25E19-W21 VanDerWaalsContact C-N 3.31Å; E19-W21 HydrophobicContact CB-CG 4.36Å; E19-W21 PolarHBondContact O-N 3.45Å; W21-I25 HydrophobicContact CE3-CD1 3.75Å; W21-I25 HydrophobicContact CZ3-CD1 4.22Å; W21-I25 WeakPolarHBondContact O-CB 3.33Å; W21-I25 WeakPolarHBondContact O-CD1 3.29Å; W21-I25 WeakPolarHBondContact O-CG1 3.37Å; W21-I25 PolarHBondContact O-N 2.98Å; W21-I25 VanDerWaalsContact O-N 3.15Å
22E92.9Very high84Confident29 Ų2957.1 Ų57.114%0.13626%0.257CS..Hα-helixtrans-69.1-42.3173.5-63.2-177108.600110.4I18 E19 P20 D24 I25 F26 K56I18-E22 HydrophobicContact CB-CB 4.43Å; E19-E22 HydrophobicContact CB-CG 4.13Å; E19-E22 PolarHBondContact N-OE2 3.2Å; E19-E22 WeakPolarHBondContact O-CB 3.23Å; E19-E22 PolarHBondContact O-N 2.93Å; P20-E22 VanDerWaalsContact C-N 3.26Å; P20-E22 PolarHBondContact O-N 2.95Å; E22-D24 VanDerWaalsContact C-N 3.35Å; E22-D24 PolarHBondContact O-N 3.3Å; E22-I25 PolarHBondContact O-N 3.44Å; E22-F26 HydrophobicContact CB-CD2 4.36Å; E22-F26 WeakPolarHBondContact O-CB 3.26Å; E22-F26 WeakPolarHBondContact O-CD2 3.33Å; E22-F26 PolarHBondContact O-N 2.72Å; E22-K56 IonicContact OE1-NZ 2.68Å; E22-K56 PolarHBondContact OE1-NZ 3.49Å
23F94.1Very high85.4Confident0 Ų055.6 Ų55.60%024%0.238CC..Hα-helixtrans-59.8-45.6177-174.8-102.2000111.5I18 E19 P20 I25 F26 Y27 L39 Y149 C152 W153 V157 P168I18-F23 HydrophobicContact CD1-CB 3.89Å; I18-F23 HydrophobicContact CD1-CD2 3.95Å; I18-F23 HydrophobicContact CD1-CG 4.43Å; E19-F23 PolarHBondContact O-N 3.15Å; P20-F23 WeakPolarHBondContact O-CB 3.17Å; P20-F23 PolarHBondContact O-N 3.25Å; P20-F23 VanDerWaalsContact O-N 3.11Å; F23-I25 PolarHBondContact O-N 2.99Å; F23-F26 PolarHBondContact O-N 3.13Å; F23-Y27 AromaticContact CD2-CD2 3.5Å; F23-Y27 HydrophobicContact CD2-CD2 3.5Å; F23-Y27 HydrophobicContact CD2-CE2 4.1Å; F23-Y27 HydrophobicContact CD2-CG 4.01Å; F23-Y27 HydrophobicContact CE2-CD1 4.32Å; F23-Y27 AromaticContact CE2-CD2 3.67Å; F23-Y27 HydrophobicContact CE2-CD2 3.67Å; F23-Y27 HydrophobicContact CE2-CE2 4.26Å; F23-Y27 AromaticContact CE2-CG 3.73Å; F23-Y27 HydrophobicContact CE2-CG 3.73Å; F23-Y27 HydrophobicContact CG-CD2 4.3Å; F23-Y27 HydrophobicContact CZ-CG 4.28Å; F23-Y27 WeakPolarHBondContact O-CB 3.34Å; F23-Y27 PolarHBondContact O-N 3.44Å; F23-L39 HydrophobicContact CD2-CD1 4.4Å; F23-L39 HydrophobicContact CE2-CD1 4.21Å; F23-Y149 HydrophobicContact CE1-CD1 4.12Å; F23-Y149 AromaticContact CZ-CD1 3.86Å; F23-Y149 HydrophobicContact CZ-CD1 3.86Å; F23-C152 HydrophobicContact CE2-CB 3.59Å; F23-C152 HydrophobicContact CZ-CB 3.86Å; F23-W153 AromaticContact CD1-CE3 3.87Å; F23-W153 HydrophobicContact CD1-CE3 3.87Å; F23-W153 HydrophobicContact CD1-CZ3 4.25Å; F23-W153 HydrophobicContact CE1-CE3 4.26Å; F23-V157 HydrophobicContact CB-CG2 3.71Å; F23-V157 HydrophobicContact CD1-CG2 4.26Å; F23-V157 HydrophobicContact CD2-CG2 3.72Å; F23-V157 HydrophobicContact CE2-CG2 4.4Å; F23-V157 HydrophobicContact CG-CG2 3.62Å; F23-P168 HydrophobicContact CD1-CG 4.13Å; F23-P168 HydrophobicContact CE1-CG 4.31Å
24D91.3Very high86.7Confident63 Ų6364.5 Ų64.534%0.33728%0.276SS..Hα-helixtrans-57.1-51.6176.3-70.2-24.1000111.5P20 E22 F26 D28 P168 Y170P20-D24 PolarHBondContact O-N 3.08Å; E22-D24 VanDerWaalsContact C-N 3.35Å; E22-D24 PolarHBondContact O-N 3.3Å; D24-F26 VanDerWaalsContact C-N 3.32Å; D24-F26 PolarHBondContact O-N 3.44Å; D24-D28 WeakPolarHBondContact O-CB 3.36Å; D24-D28 PolarHBondContact O-N 3.46Å; D24-P168 WeakPolarHBondContact OD1-CG 3.35Å; D24-Y170 PolarHBondContact OD1-OH 3.25Å
25I90.6Very high88.3Confident61 Ų6166.2 Ų66.231%0.31328%0.282SS..Hα-helixtrans-66-35.1-175.6-70.2177.7000111.7W21 E22 F23 R33W21-I25 HydrophobicContact CE3-CD1 3.75Å; W21-I25 HydrophobicContact CZ3-CD1 4.22Å; W21-I25 WeakPolarHBondContact O-CB 3.33Å; W21-I25 WeakPolarHBondContact O-CD1 3.29Å; W21-I25 WeakPolarHBondContact O-CG1 3.37Å; W21-I25 PolarHBondContact O-N 2.98Å; W21-I25 VanDerWaalsContact O-N 3.15Å; E22-I25 PolarHBondContact O-N 3.44Å; F23-I25 PolarHBondContact O-N 2.99Å; I25-R33 VanDerWaalsContact CG2-NE 3.33Å; I25-R33 WeakPolarHBondContact O-CD 3.45Å
26F94.3Very high89.8Confident7 Ų754.8 Ų54.83%0.03124%0.241CC..Hα-helixtrans-85.9-35.2-179.8-80.1-67.1000113.4E22 F23 D24 E35 C37 K56 S89 R118E22-F26 HydrophobicContact CB-CD2 4.36Å; E22-F26 WeakPolarHBondContact O-CB 3.26Å; E22-F26 WeakPolarHBondContact O-CD2 3.33Å; E22-F26 PolarHBondContact O-N 2.72Å; F23-F26 PolarHBondContact O-N 3.13Å; D24-F26 VanDerWaalsContact C-N 3.32Å; D24-F26 PolarHBondContact O-N 3.44Å; F26-E35 HydrophobicContact CE1-CB 3.74Å; F26-E35 HydrophobicContact CZ-CB 4.35Å; F26-C37 HydrophobicContact CB-CB 3.83Å; F26-C37 HydrophobicContact CD1-CB 3.44Å; F26-C37 VanDerWaalsContact CD1-CB 3.44Å; F26-C37 HydrophobicContact CD2-CB 3.92Å; F26-C37 HydrophobicContact CE1-CB 3.92Å; F26-C37 HydrophobicContact CE2-CB 4.38Å; F26-C37 HydrophobicContact CG-CB 3.45Å; F26-C37 VanDerWaalsContact CG-CB 3.45Å; F26-C37 HydrophobicContact CZ-CB 4.38Å; F26-K56 HydrophobicContact CE2-CD 4.16Å; F26-K56 HydrophobicContact CZ-CD 4.07Å; F26-S89 WeakPolarHBondContact O-CB 3.49Å; F26-R118 VanDerWaalsContact O-CZ 3.22Å; F26-R118 PolarHBondContact O-NH1 2.77Å; F26-R118 PolarHBondContact O-NH2 2.88Å
27Y94.8Very high90.6Very high0 Ų049.3 Ų49.30%022%0.22CC..Hα-helixtrans-108.1-7.3-169-70.6-92.4000113.8F23 P29 C37 L39 F87 A117 M144 Y149F23-Y27 AromaticContact CD2-CD2 3.5Å; F23-Y27 HydrophobicContact CD2-CD2 3.5Å; F23-Y27 HydrophobicContact CD2-CE2 4.1Å; F23-Y27 HydrophobicContact CD2-CG 4.01Å; F23-Y27 HydrophobicContact CE2-CD1 4.32Å; F23-Y27 AromaticContact CE2-CD2 3.67Å; F23-Y27 HydrophobicContact CE2-CD2 3.67Å; F23-Y27 HydrophobicContact CE2-CE2 4.26Å; F23-Y27 AromaticContact CE2-CG 3.73Å; F23-Y27 HydrophobicContact CE2-CG 3.73Å; F23-Y27 HydrophobicContact CG-CD2 4.3Å; F23-Y27 HydrophobicContact CZ-CG 4.28Å; F23-Y27 WeakPolarHBondContact O-CB 3.34Å; F23-Y27 PolarHBondContact O-N 3.44Å; Y27-P29 VanDerWaalsContact O-CD 3.26Å; Y27-P29 WeakPolarHBondContact O-CD 3.39Å; Y27-P29 VanDerWaalsContact O-N 3.16Å; Y27-C37 HydrophobicContact CE2-CB 4.22Å; Y27-C37 PolarHBondContact OH-O 2.84Å; Y27-L39 HydrophobicContact CE2-CD1 4.01Å; Y27-L39 HydrophobicContact CE2-CG 4.21Å; Y27-L39 WeakPolarHBondContact OH-CG 3.5Å; Y27-L39 PolarHBondContact OH-N 2.93Å; Y27-F87 PolarHBondContact OH-O 3.33Å; Y27-A117 HydrophobicContact CD1-CB 4.06Å; Y27-M144 HydrophobicContact CD1-CE 4.08Å; Y27-M144 HydrophobicContact CD1-SD 3.79Å; Y27-M144 HydrophobicContact CE1-CE 4.34Å; Y27-M144 HydrophobicContact CE1-SD 3.91Å; Y27-Y149 VanDerWaalsContact O-CE1 3.29Å; Y27-Y149 WeakPolarHBondContact O-CE1 3.3Å; Y27-Y149 PolarHBondContact O-OH 3.28Å
28D92.6Very high91Very high14 Ų1447.9 Ų47.98%0.07522%0.215CC..  trans-58.9120.1172.2-172.1-31.2000111.1D24 R30 E31 R118 Y170D24-D28 WeakPolarHBondContact O-CB 3.36Å; D24-D28 PolarHBondContact O-N 3.46Å; D28-R30 PolarHBondContact O-N 3.35Å; D28-R30 VanDerWaalsContact OD1-CB 3.28Å; D28-R30 WeakPolarHBondContact OD1-CB 3.19Å; D28-R30 WeakPolarHBondContact OD1-CG 3.39Å; D28-R30 IonicContact OD1-CZ 3.79Å; D28-R30 PolarHBondContact OD1-N 3.13Å; D28-R30 IonicContact OD1-NE 3.56Å; D28-R30 PolarHBondContact OD1-NE 2.74Å; D28-R30 IonicContact OD1-NH2 2.74Å; D28-R30 IonicContact OD2-CZ 2.81Å; D28-R30 IonicContact OD2-NE 3.56Å; D28-R30 PolarHBondContact OD2-NE 3.49Å; D28-R30 IonicContact OD2-NH2 3.48Å; D28-R30 PolarHBondContact OD2-NH2 3.16Å; D28-E31 HydrophobicContact CB-CB 4.16Å; D28-E31 HydrophobicContact CB-CG 3.89Å; D28-E31 PolarHBondContact O-N 3.01Å; D28-E31 VanDerWaalsContact O-N 3.13Å; D28-R118 PolarHBondContact O-NH1 3.21Å; D28-Y170 HydrophobicContact CB-CD1 4.33Å; D28-Y170 HydrophobicContact CB-CE1 3.59Å; D28-Y170 VanDerWaalsContact CG-CE1 3.43Å
29P91.1Very high91.3Very high0 Ų047.7 Ų47.70%021%0.214CC..THydrogen-bonded Turntrans-56.5-19.3179.6-26.334.2000115Y27 R118 Y149 Y170 W174 M175 Y178Y27-P29 VanDerWaalsContact O-CD 3.26Å; Y27-P29 WeakPolarHBondContact O-CD 3.39Å; Y27-P29 VanDerWaalsContact O-N 3.16Å; P29-R118 WeakPolarHBondContact O-CD 3.23Å; P29-Y149 WeakPolarHBondContact CG-OH 3.42Å; P29-Y170 VanDerWaalsContact CD-CG 3.49Å; P29-Y170 HydrophobicContact CG-CD2 4.39Å; P29-Y170 HydrophobicContact CG-CG 4.19Å; P29-W174 HydrophobicContact CB-CB 3.62Å; P29-W174 HydrophobicContact CB-CG 4.37Å; P29-W174 HydrophobicContact CG-CB 4.33Å; P29-M175 HydrophobicContact CG-CG 4.41Å; P29-Y178 HydrophobicContact CB-CE2 4.2Å; P29-Y178 PolarHBondContact O-OH 3.09Å
30R89.2Confident91.5Very high104 Ų10444.9 Ų44.939%0.39220%0.2SC..THydrogen-bonded Turntrans-90.8-22.5-176.5-57169.3-67.2176.32.4112.7D28 L32 W174 T204D28-R30 PolarHBondContact O-N 3.35Å; D28-R30 VanDerWaalsContact OD1-CB 3.28Å; D28-R30 WeakPolarHBondContact OD1-CB 3.19Å; D28-R30 WeakPolarHBondContact OD1-CG 3.39Å; D28-R30 IonicContact OD1-CZ 3.79Å; D28-R30 PolarHBondContact OD1-N 3.13Å; D28-R30 IonicContact OD1-NE 3.56Å; D28-R30 PolarHBondContact OD1-NE 2.74Å; D28-R30 IonicContact OD1-NH2 2.74Å; D28-R30 IonicContact OD2-CZ 2.81Å; D28-R30 IonicContact OD2-NE 3.56Å; D28-R30 PolarHBondContact OD2-NE 3.49Å; D28-R30 IonicContact OD2-NH2 3.48Å; D28-R30 PolarHBondContact OD2-NH2 3.16Å; R30-L32 PolarHBondContact O-N 3.33Å; R30-W174 HydrophobicContact CG-CD2 4.47Å; R30-W174 HydrophobicContact CG-CG 4.24Å; R30-T204 WeakPolarHBondContact O-CB 3.43Å; R30-T204 PolarHBondContact O-OG1 2.91Å
31E86.6Confident91.6Very high67 Ų6744.6 Ų44.631%0.31320%0.197SC..  trans-84.8104.6-173.2-73-59.7146.500111.3D28 R33 R118D28-E31 HydrophobicContact CB-CB 4.16Å; D28-E31 HydrophobicContact CB-CG 3.89Å; D28-E31 PolarHBondContact O-N 3.01Å; D28-E31 VanDerWaalsContact O-N 3.13Å; E31-R33 VanDerWaalsContact C-N 3.32Å; E31-R33 PolarHBondContact O-N 3.38Å; E31-R33 VanDerWaalsContact O-N 3.08Å; E31-R118 PolarHBondContact O-NE 2.8Å
32L83.4Confident91.7Very high35 Ų3537.6 Ų37.618%0.18317%0.171CC..  trans-87.569-179.8-51.7-177.6000111.2R30 W90 I195 R197 T204R30-L32 PolarHBondContact O-N 3.33Å; L32-W90 HydrophobicContact CB-CH2 4.45Å; L32-W90 HydrophobicContact CB-CZ2 4.44Å; L32-W90 HydrophobicContact CD2-CH2 3.65Å; L32-W90 HydrophobicContact CD2-CZ2 4.33Å; L32-I195 HydrophobicContact CD1-CG2 3.83Å; L32-I195 HydrophobicContact CD2-CG2 4.29Å; L32-R197 HydrophobicContact CD1-CB 4.18Å; L32-R197 PolarHBondContact O-NH1 2.94Å; L32-T204 HydrophobicContact CD1-CG2 3.8Å; L32-T204 HydrophobicContact CD2-CG2 4.25Å; L32-T204 HydrophobicContact CG-CG2 4.03Å
33R82.4Confident91.7Very high72 Ų7240.9 Ų40.927%0.27219%0.185SC..  trans-79.6152.7176.2-62.1-168.176.5-136.9-6.6112I25 E31 E35 W90I25-R33 VanDerWaalsContact CG2-NE 3.33Å; I25-R33 WeakPolarHBondContact O-CD 3.45Å; E31-R33 VanDerWaalsContact C-N 3.32Å; E31-R33 PolarHBondContact O-N 3.38Å; E31-R33 VanDerWaalsContact O-N 3.08Å; R33-E35 IonicContact CZ-OE2 3.35Å; R33-E35 IonicContact NH1-OE2 3.83Å; R33-E35 PolarHBondContact NH1-OE2 3.02Å; R33-E35 IonicContact NH2-OE1 3.81Å; R33-E35 IonicContact NH2-OE2 3.76Å; R33-E35 PolarHBondContact NH2-OE2 3.45Å; R33-W90 WeakPolarHBondContact O-CZ2 3.38Å; R33-W90 PolarHBondContact O-NE1 2.97Å
34K84.3Confident91.5Very high200 Ų20041.7 Ų41.787%0.8719%0.187SC*.SBendtrans-74.9-31.5175.8-67.6-175.5176.6-176.80112.9
35E88.5Confident91.3Very high92 Ų9239.9 Ų39.943%0.4318%0.184SC..  trans-80141.9-177.7-66.1159.8-169.300110.7F26 R33F26-E35 HydrophobicContact CE1-CB 3.74Å; F26-E35 HydrophobicContact CZ-CB 4.35Å; R33-E35 IonicContact CZ-OE2 3.35Å; R33-E35 IonicContact NH1-OE2 3.83Å; R33-E35 PolarHBondContact NH1-OE2 3.02Å; R33-E35 IonicContact NH2-OE1 3.81Å; R33-E35 IonicContact NH2-OE2 3.76Å; R33-E35 PolarHBondContact NH2-OE2 3.45Å
36A92.6Very high91Very high8 Ų845.8 Ų45.87%0.06621%0.212CC..  trans-102.5146168.600000111.3K56 N57 V62 S89 W90A36-K56 WeakPolarHBondContact O-CA 3.38Å; A36-N57 PolarHBondContact N-ND2 2.98Å; A36-N57 VanDerWaalsContact N-ND2 3.11Å; A36-N57 PolarHBondContact O-N 3.15Å; A36-V62 HydrophobicContact CB-CG1 3.99Å; A36-S89 VanDerWaalsContact CA-OG 3.3Å; A36-S89 WeakPolarHBondContact CA-OG 3.5Å; A36-W90 HydrophobicContact CB-CB 4.47Å
37C96.1Very high90.5Very high0 Ų047.7 Ų47.70%023%0.227CC..EExtended strand (participates in β ladder)trans-121.3140.7170.2-179.70000109F26 Y27 G55 S89F26-C37 HydrophobicContact CB-CB 3.83Å; F26-C37 HydrophobicContact CD1-CB 3.44Å; F26-C37 VanDerWaalsContact CD1-CB 3.44Å; F26-C37 HydrophobicContact CD2-CB 3.92Å; F26-C37 HydrophobicContact CE1-CB 3.92Å; F26-C37 HydrophobicContact CE2-CB 4.38Å; F26-C37 HydrophobicContact CG-CB 3.45Å; F26-C37 VanDerWaalsContact CG-CB 3.45Å; F26-C37 HydrophobicContact CZ-CB 4.38Å; Y27-C37 HydrophobicContact CE2-CB 4.22Å; Y27-C37 PolarHBondContact OH-O 2.84Å; C37-G55 WeakPolarHBondContact CA-O 3.45Å; C37-S89 PolarHBondContact N-OG 2.83Å; C37-S89 PolarHBondContact O-N 2.96Å; C37-S89 PolarHBondContact O-OG 3.21Å
38L97.7Very high89.9Confident1 Ų153.9 Ų53.91%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-117.9127.4173.7173.561.3000108.7Y40 S54 G55 V62 F66 W86 L88L38-Y40 HydrophobicContact CD2-CD1 4.1Å; L38-Y40 HydrophobicContact CG-CD1 4.15Å; L38-S54 CarbonylContact O-C 3.39Å; L38-S54 WeakPolarHBondContact O-CA 3.45Å; L38-G55 PolarHBondContact N-O 3.45Å; L38-G55 PolarHBondContact O-N 2.85Å; L38-V62 HydrophobicContact CB-CB 4.38Å; L38-V62 HydrophobicContact CB-CG1 4.04Å; L38-V62 HydrophobicContact CB-CG2 3.41Å; L38-V62 VanDerWaalsContact CB-CG2 3.41Å; L38-V62 HydrophobicContact CD2-CG2 4.26Å; L38-V62 HydrophobicContact CG-CG2 4.48Å; L38-F66 HydrophobicContact CD2-CB 3.74Å; L38-F66 HydrophobicContact CD2-CD2 3.9Å; L38-F66 HydrophobicContact CD2-CG 3.97Å; L38-W86 HydrophobicContact CD1-CB 3.53Å; L38-W86 HydrophobicContact CD1-CD2 3.91Å; L38-W86 HydrophobicContact CD1-CE3 4.43Å; L38-W86 HydrophobicContact CD1-CG 3.49Å; L38-W86 VanDerWaalsContact CD1-CG 3.49Å; L38-W86 HydrophobicContact CD2-CD2 4.37Å; L38-L88 HydrophobicContact CB-CD2 3.67Å; L38-L88 HydrophobicContact CD1-CD2 3.55Å; L38-L88 HydrophobicContact CD1-CG 3.76Å; L38-L88 HydrophobicContact CG-CD2 4.1Å
39L97.9Very high89.6Confident0 Ų058.5 Ų58.50%029%0.286CS..EExtended strand (participates in β ladder)trans-105.2133.4159.2-55172.2000107.2I18 F23 Y27 F87 C152 F156I18-L39 HydrophobicContact CD1-CD1 4.48Å; I18-L39 HydrophobicContact CD1-CD2 4.01Å; I18-L39 HydrophobicContact CG1-CD2 4.41Å; I18-L39 HydrophobicContact CG2-CD2 4.45Å; F23-L39 HydrophobicContact CD2-CD1 4.4Å; F23-L39 HydrophobicContact CE2-CD1 4.21Å; Y27-L39 HydrophobicContact CE2-CD1 4.01Å; Y27-L39 HydrophobicContact CE2-CG 4.21Å; Y27-L39 WeakPolarHBondContact OH-CG 3.5Å; Y27-L39 PolarHBondContact OH-N 2.93Å; L39-F87 HydrophobicContact CB-CB 4.19Å; L39-F87 HydrophobicContact CB-CD2 4.42Å; L39-F87 PolarHBondContact N-O 3.48Å; L39-F87 PolarHBondContact O-N 3.45Å; L39-C152 HydrophobicContact CD1-CB 3.94Å; L39-F156 HydrophobicContact CB-CD1 3.78Å; L39-F156 HydrophobicContact CB-CD2 4.21Å; L39-F156 HydrophobicContact CB-CE1 3.8Å; L39-F156 HydrophobicContact CB-CE2 4.22Å; L39-F156 HydrophobicContact CB-CG 3.96Å; L39-F156 HydrophobicContact CB-CZ 3.99Å; L39-F156 HydrophobicContact CD1-CB 3.75Å; L39-F156 HydrophobicContact CD1-CD1 4.45Å; L39-F156 HydrophobicContact CD1-CD2 4.12Å; L39-F156 HydrophobicContact CD1-CG 3.87Å; L39-F156 HydrophobicContact CD2-CB 3.87Å; L39-F156 HydrophobicContact CD2-CD1 3.84Å; L39-F156 HydrophobicContact CD2-CG 4Å; L39-F156 HydrophobicContact CG-CB 4.26Å; L39-F156 HydrophobicContact CG-CD1 4.21Å; L39-F156 HydrophobicContact CG-CG 4.13Å
40Y96.8Very high89.6Confident14 Ų1461.4 Ų61.46%0.05530%0.301CS..EExtended strand (participates in β ladder)trans-135.3145-177.267.2-97.7000113.2L38 I42 R52 S53 F66 K69 T85 F156L38-Y40 HydrophobicContact CD2-CD1 4.1Å; L38-Y40 HydrophobicContact CG-CD1 4.15Å; Y40-I42 HydrophobicContact CD2-CD1 3.97Å; Y40-I42 HydrophobicContact CD2-CG1 3.96Å; Y40-I42 HydrophobicContact CE2-CD1 3.78Å; Y40-I42 HydrophobicContact CE2-CG1 4.26Å; Y40-R52 WeakPolarHBondContact O-CA 3.31Å; Y40-S53 WeakPolarHBondContact CD1-O 3.47Å; Y40-S53 VanDerWaalsContact CZ-CB 3.44Å; Y40-S53 PolarHBondContact N-O 2.94Å; Y40-S53 PolarHBondContact O-N 3.24Å; Y40-S53 WeakPolarHBondContact OH-CB 3.41Å; Y40-F66 AromaticContact CD1-CD2 3.67Å; Y40-F66 HydrophobicContact CD1-CD2 3.67Å; Y40-F66 AromaticContact CD1-CE2 3.84Å; Y40-F66 HydrophobicContact CD1-CE2 3.84Å; Y40-F66 HydrophobicContact CD2-CD2 4.17Å; Y40-F66 AromaticContact CD2-CE2 3.47Å; Y40-F66 HydrophobicContact CD2-CE2 3.47Å; Y40-F66 VanDerWaalsContact CD2-CE2 3.47Å; Y40-F66 HydrophobicContact CD2-CZ 4.45Å; Y40-F66 AromaticContact CE1-CD2 3.76Å; Y40-F66 HydrophobicContact CE1-CD2 3.76Å; Y40-F66 HydrophobicContact CE1-CE2 4.03Å; Y40-F66 HydrophobicContact CE2-CD2 4.22Å; Y40-F66 AromaticContact CE2-CE2 3.64Å; Y40-F66 HydrophobicContact CE2-CE2 3.64Å; Y40-F66 AromaticContact CG-CD2 3.84Å; Y40-F66 HydrophobicContact CG-CD2 3.84Å; Y40-F66 AromaticContact CG-CE2 3.51Å; Y40-F66 HydrophobicContact CG-CE2 3.51Å; Y40-F66 AromaticContact CZ-CD2 3.98Å; Y40-F66 AromaticContact CZ-CE2 3.89Å; Y40-K69 WeakPolarHBondContact OH-CE 3.42Å; Y40-K69 PolarHBondContact OH-NZ 3.47Å; Y40-T85 CarbonylContact C-O 3.28Å; Y40-T85 VanDerWaalsContact CA-O 3.27Å; Y40-T85 WeakPolarHBondContact CA-O 3.48Å; Y40-F156 WeakPolarHBondContact O-CE1 3.3Å
41E95.9Very high89.7Confident20 Ų2058.8 Ų58.89%0.09329%0.291CS..EExtended strand (participates in β ladder)trans-116.4136.2171.2-56.9-164.515700110I50 W51 R52 I84 T85 F87 H151 F156E41-I50 HydrophobicContact CB-CG2 3.83Å; E41-I50 HydrophobicContact CG-CG2 4.22Å; E41-W51 CarbonylContact C-O 3.58Å; E41-W51 VanDerWaalsContact CA-O 3.24Å; E41-W51 WeakPolarHBondContact CA-O 3.26Å; E41-R52 HydrophobicContact CG-CG 4.13Å; E41-R52 IonicContact OE1-CZ 2.57Å; E41-R52 IonicContact OE1-NE 2.8Å; E41-R52 PolarHBondContact OE1-NE 2.73Å; E41-R52 IonicContact OE1-NH2 2.85Å; E41-R52 PolarHBondContact OE1-NH2 3.29Å; E41-I84 CarbonylContact O-C 3.45Å; E41-I84 WeakPolarHBondContact O-CA 3.37Å; E41-T85 PolarHBondContact N-O 2.99Å; E41-T85 PolarHBondContact O-N 3.17Å; E41-F87 HydrophobicContact CG-CE2 4.26Å; E41-H151 IonicContact OE1-CD2 3.49Å; E41-H151 IonicContact OE1-CE1 2.67Å; E41-H151 IonicContact OE1-NE2 3.67Å; E41-H151 PolarHBondContact OE1-NE2 2.85Å; E41-H151 IonicContact OE2-NE2 3.77Å; E41-F156 HydrophobicContact CG-CE2 4.07Å; E41-F156 HydrophobicContact CG-CZ 3.53Å
42I93.7Very high90Very high2 Ų257.7 Ų57.71%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-126124.9173.8-52.1168.3000109.1Y40 W44 W51 F66 L70 C82 S83 I84Y40-I42 HydrophobicContact CD2-CD1 3.97Å; Y40-I42 HydrophobicContact CD2-CG1 3.96Å; Y40-I42 HydrophobicContact CE2-CD1 3.78Å; Y40-I42 HydrophobicContact CE2-CG1 4.26Å; I42-W44 HydrophobicContact CG2-CD2 4.02Å; I42-W44 HydrophobicContact CG2-CG 4.38Å; I42-W44 HydrophobicContact CG2-CH2 4.46Å; I42-W44 HydrophobicContact CG2-CZ2 3.79Å; I42-W51 HydrophobicContact CB-CB 4.22Å; I42-W51 PolarHBondContact N-O 3.26Å; I42-W51 PolarHBondContact O-N 3.17Å; I42-F66 HydrophobicContact CD1-CE2 4.17Å; I42-F66 HydrophobicContact CD1-CZ 4.1Å; I42-F66 HydrophobicContact CG1-CZ 4.49Å; I42-L70 HydrophobicContact CD1-CD1 3.78Å; I42-C82 HydrophobicContact CG2-CB 4.1Å; I42-S83 WeakPolarHBondContact CA-O 3.14Å; I42-I84 HydrophobicContact CG1-CG1 4.39Å; I42-I84 HydrophobicContact CG1-CG2 4.48Å; I42-I84 HydrophobicContact CG2-CG1 4.43Å
43K92.6Very high90.4Very high99 Ų9956.8 Ų56.843%0.4328%0.28SS..EExtended strand (participates in β ladder)trans-108.9121.1170.2-176.6-179.5176.1-176.40109.1S47 C82 S83K43-S47 WeakPolarHBondContact CE-O 3.46Å; K43-C82 CarbonylContact O-C 3.52Å; K43-C82 VanDerWaalsContact O-CA 3.22Å; K43-C82 WeakPolarHBondContact O-CA 3.32Å; K43-C82 WeakPolarHBondContact O-CB 3.2Å; K43-S83 PolarHBondContact N-O 3.26Å; K43-S83 PolarHBondContact O-N 3.01Å
44W90.1Very high91Very high16 Ų1654.8 Ų54.86%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-96.4116.1-178.3-61.596000110.7I42 M46 S47 W51 L70 R75 F76 I80 C82I42-W44 HydrophobicContact CG2-CD2 4.02Å; I42-W44 HydrophobicContact CG2-CG 4.38Å; I42-W44 HydrophobicContact CG2-CH2 4.46Å; I42-W44 HydrophobicContact CG2-CZ2 3.79Å; W44-M46 PolarHBondContact O-N 3.12Å; W44-S47 WeakPolarHBondContact O-CB 3.38Å; W44-S47 PolarHBondContact O-N 3.4Å; W44-W51 AromaticContact CD1-CD1 3.83Å; W44-W51 AromaticContact NE1-CG 3.95Å; W44-L70 HydrophobicContact CH2-CD1 3.88Å; W44-L70 HydrophobicContact CZ2-CD1 4.03Å; W44-R75 HydrophobicContact CH2-CB 4.48Å; W44-R75 HydrophobicContact CZ2-CB 4.47Å; W44-F76 HydrophobicContact CH2-CB 4.16Å; W44-F76 AromaticContact CH2-CD2 3.83Å; W44-F76 HydrophobicContact CH2-CD2 3.83Å; W44-F76 AromaticContact CZ3-CD2 3.97Å; W44-F76 HydrophobicContact CZ3-CD2 3.97Å; W44-I80 HydrophobicContact CB-CG2 4.49Å; W44-C82 HydrophobicContact CD2-CB 4.1Å; W44-C82 HydrophobicContact CE3-CB 3.54Å; W44-C82 HydrophobicContact CZ3-CB 3.84Å
45G86.4Confident91.4Very high25 Ų2546.3 Ų46.326%0.25825%0.247SC..THydrogen-bonded Turntrans46.9-129.9-179.600000112.7S47 S81G45-S47 VanDerWaalsContact C-N 3.3Å; G45-S47 PolarHBondContact O-N 3.49Å; G45-S81 WeakPolarHBondContact CA-O 3.49Å; G45-S81 PolarHBondContact N-O 3.38Å
46M83.8Confident91.6Very high186 Ų18645.6 Ų45.692%0.91624%0.243SC*.THydrogen-bonded Turntrans-87.47.6178.4-60.6-59.8-72.600113.6W44W44-M46 PolarHBondContact O-N 3.12Å
47S84Confident91.4Very high47 Ų4747.5 Ų47.533%0.32925%0.252SS..  trans-62.5136.5-178.7-170.30000110.9K43 W44 G45 K49K43-S47 WeakPolarHBondContact CE-O 3.46Å; W44-S47 WeakPolarHBondContact O-CB 3.38Å; W44-S47 PolarHBondContact O-N 3.4Å; G45-S47 VanDerWaalsContact C-N 3.3Å; G45-S47 PolarHBondContact O-N 3.49Å; S47-K49 PolarHBondContact O-N 3.01Å; S47-K49 PolarHBondContact OG-N 3.33Å
48P82.2Confident91.1Very high129 Ų12952.3 Ų52.384%0.83828%0.281SS*.SBendtrans-72.5-11.3171.431-35.3000112.1
49K87.1Confident90.8Very high112 Ų11258.7 Ų58.749%0.48732%0.32SS..PPolyproline II helixtrans-85.8121.9-174.7-174.4170.6180170.10111.4S47S47-K49 PolarHBondContact O-N 3.01Å; S47-K49 PolarHBondContact OG-N 3.33Å
50I90.4Very high90.6Very high61 Ų6161.9 Ų61.931%0.31334%0.337SS..EExtended strand (participates in β ladder)trans-94.9131.2172.5-57.8174.2000109.2E41 R52E41-I50 HydrophobicContact CB-CG2 3.83Å; E41-I50 HydrophobicContact CG-CG2 4.22Å; I50-R52 HydrophobicContact CG2-CG 4.11Å
51W90.6Very high90.5Very high48 Ų4865.3 Ų65.318%0.18235%0.354CS..EExtended strand (participates in β ladder)trans-96.1123.5176.3-76.552.9000109.3E41 I42 W44E41-W51 CarbonylContact C-O 3.58Å; E41-W51 VanDerWaalsContact CA-O 3.24Å; E41-W51 WeakPolarHBondContact CA-O 3.26Å; I42-W51 HydrophobicContact CB-CB 4.22Å; I42-W51 PolarHBondContact N-O 3.26Å; I42-W51 PolarHBondContact O-N 3.17Å; W44-W51 AromaticContact CD1-CD1 3.83Å; W44-W51 AromaticContact NE1-CG 3.95Å
52R92.9Very high90.6Very high45 Ų4564.4 Ų64.417%0.1735%0.35CS..EExtended strand (participates in β ladder)trans-120.4141-179.5-55.4-168.2174.190.34.2111.3T13 R16 Y40 E41 I50 F156T13-R52 HydrophobicContact CG2-CB 4.25Å; R16-R52 WeakPolarHBondContact CD-O 3.3Å; Y40-R52 WeakPolarHBondContact O-CA 3.31Å; E41-R52 HydrophobicContact CG-CG 4.13Å; E41-R52 IonicContact OE1-CZ 2.57Å; E41-R52 IonicContact OE1-NE 2.8Å; E41-R52 PolarHBondContact OE1-NE 2.73Å; E41-R52 IonicContact OE1-NH2 2.85Å; E41-R52 PolarHBondContact OE1-NH2 3.29Å; I50-R52 HydrophobicContact CG2-CG 4.11Å; R52-F156 HydrophobicContact CB-CD1 4.44Å; R52-F156 HydrophobicContact CB-CE1 3.84Å; R52-F156 HydrophobicContact CB-CZ 4.28Å; R52-F156 HydrophobicContact CG-CE1 4.39Å; R52-F156 HydrophobicContact CG-CZ 4.34Å
53S93.3Very high90.8Very high15 Ų1564.8 Ų64.811%0.10535%0.351CS..EExtended strand (participates in β ladder)trans-163.1169170.8-173.40000109.8Y40 F156Y40-S53 WeakPolarHBondContact CD1-O 3.47Å; Y40-S53 VanDerWaalsContact CZ-CB 3.44Å; Y40-S53 PolarHBondContact N-O 2.94Å; Y40-S53 PolarHBondContact O-N 3.24Å; Y40-S53 WeakPolarHBondContact OH-CB 3.41Å; S53-F156 WeakPolarHBondContact O-CE1 3.43Å
54S94.3Very high91Very high30 Ų3062 Ų6221%0.2134%0.343CS..EExtended strand (participates in β ladder)trans-110.8168.5169.761.80000111.7L38L38-S54 CarbonylContact O-C 3.39Å; L38-S54 WeakPolarHBondContact O-CA 3.45Å
55G92.8Very high91.3Very high23 Ų2362.8 Ų62.824%0.23735%0.348CS..EExtended strand (participates in β ladder)trans-150.3159.1170.300000110.3C37 L38 V62C37-G55 WeakPolarHBondContact CA-O 3.45Å; L38-G55 PolarHBondContact N-O 3.45Å; L38-G55 PolarHBondContact O-N 2.85Å; G55-V62 VanDerWaalsContact C-CG2 3.45Å
56K92.1Very high91.8Very high76 Ų7661.9 Ų61.933%0.3334%0.337SS..EExtended strand (participates in β ladder)trans-136.5167.7175.2-62.5179.9-174.7171.70109.4E22 F26 A36 N65E22-K56 IonicContact OE1-NZ 2.68Å; E22-K56 PolarHBondContact OE1-NZ 3.49Å; F26-K56 HydrophobicContact CE2-CD 4.16Å; F26-K56 HydrophobicContact CZ-CD 4.07Å; A36-K56 WeakPolarHBondContact O-CA 3.38Å; K56-N65 PolarHBondContact O-ND2 3.19Å
57N88.9Confident92.3Very high48 Ų4854.1 Ų54.126%0.25730%0.299SS..  trans-57.9144.5168.1-69-2.6000110.7A36 V62A36-N57 PolarHBondContact N-ND2 2.98Å; A36-N57 VanDerWaalsContact N-ND2 3.11Å; A36-N57 PolarHBondContact O-N 3.15Å; N57-V62 WeakPolarHBondContact OD1-CB 3.39Å; N57-V62 PolarHBondContact OD1-N 3.18Å; N57-V62 VanDerWaalsContact OD1-N 3.12Å
58T90Very high92.8Very high101 Ų10156.8 Ų56.862%0.6231%0.306SS*.SBendtrans-123.6-124.1170.857.10000107.4N60 N65T58-N60 VanDerWaalsContact C-N 3.28Å; T58-N60 PolarHBondContact N-O 3.18Å; T58-N60 VanDerWaalsContact N-O 3.09Å; T58-N60 PolarHBondContact OG1-N 3.23Å; T58-N65 PolarHBondContact OG1-ND2 2.91Å; T58-N65 PolarHBondContact OG1-OD1 2.83Å
59T90.4Very high93.2Very high135 Ų13554.8 Ų54.883%0.82828%0.284SS*.SBendtrans-73.1-24.2161.2530000112
60N93.4Very high93.4Very high67 Ų6749.5 Ų49.536%0.35826%0.262SS..SBendtrans-111.4164.2178.5-59.5-31000111.2T58 N65T58-N60 VanDerWaalsContact C-N 3.28Å; T58-N60 PolarHBondContact N-O 3.18Å; T58-N60 VanDerWaalsContact N-O 3.09Å; T58-N60 PolarHBondContact OG1-N 3.23Å; N60-N65 WeakPolarHBondContact CB-OD1 3.29Å; N60-N65 PolarHBondContact O-ND2 2.74Å
61H96.4Very high93.3Very high86 Ų8649.2 Ų49.240%0.39826%0.263SS..  trans-65.8147.1171.8-66-176.5000111.1E63 V64 N65 C93 C96H61-E63 WeakPolarHBondContact CB-OE2 3.33Å; H61-E63 PolarHBondContact O-N 2.97Å; H61-V64 PolarHBondContact O-N 3.31Å; H61-V64 VanDerWaalsContact O-N 3.12Å; H61-N65 PolarHBondContact O-N 3.4Å; H61-N65 VanDerWaalsContact O-N 3.07Å; H61-C93 VanDerWaalsContact CE1-SG 3.58Å; H61-C93 PolarHBondContact ND1-SG 2.95Å; H61-C96 WeakPolarHBondContact CB-SG 3.22Å; H61-C96 PolarHBondContact ND1-SG 2.91Å
62V96.9Very high93.1Very high2 Ų251.1 Ų51.11%0.01228%0.284CS..Hα-helixtrans-61-30.3-172.469.20000113.5A36 L38 G55 N57 F66 L88A36-V62 HydrophobicContact CB-CG1 3.99Å; L38-V62 HydrophobicContact CB-CB 4.38Å; L38-V62 HydrophobicContact CB-CG1 4.04Å; L38-V62 HydrophobicContact CB-CG2 3.41Å; L38-V62 VanDerWaalsContact CB-CG2 3.41Å; L38-V62 HydrophobicContact CD2-CG2 4.26Å; L38-V62 HydrophobicContact CG-CG2 4.48Å; G55-V62 VanDerWaalsContact C-CG2 3.45Å; N57-V62 WeakPolarHBondContact OD1-CB 3.39Å; N57-V62 PolarHBondContact OD1-N 3.18Å; N57-V62 VanDerWaalsContact OD1-N 3.12Å; V62-F66 WeakPolarHBondContact O-CB 3.44Å; V62-F66 PolarHBondContact O-N 3.47Å; V62-L88 HydrophobicContact CG1-CD2 3.71Å
63E98.3Very high92.5Very high9 Ų951.1 Ų51.14%0.04229%0.285CS..Hα-helixtrans-65.1-44.3176.7-57.491.4147.500111.2H61 F66 I67 W86 L88 P92 C96 I100H61-E63 WeakPolarHBondContact CB-OE2 3.33Å; H61-E63 PolarHBondContact O-N 2.97Å; E63-F66 PolarHBondContact O-N 3.38Å; E63-I67 WeakPolarHBondContact O-CG1 3.49Å; E63-I67 PolarHBondContact O-N 2.91Å; E63-W86 HydrophobicContact CB-CH2 4.04Å; E63-W86 HydrophobicContact CB-CZ3 3.93Å; E63-W86 HydrophobicContact CG-CH2 4.35Å; E63-W86 HydrophobicContact CG-CZ3 3.72Å; E63-L88 HydrophobicContact CG-CD1 4.23Å; E63-P92 HydrophobicContact CG-CG 4.48Å; E63-P92 WeakPolarHBondContact OE1-CA 3.33Å; E63-C96 HydrophobicContact CB-CB 4.17Å; E63-C96 HydrophobicContact CG-CB 4.22Å; E63-I100 HydrophobicContact CB-CD1 4.37Å; E63-I100 HydrophobicContact CG-CD1 4.33Å
64V97.3Very high91.1Very high41 Ų4161.4 Ų61.425%0.24832%0.322CS..Hα-helixtrans-68.4-45.4177.9179.80000110.1H61 F66 I67 E68 A99H61-V64 PolarHBondContact O-N 3.31Å; H61-V64 VanDerWaalsContact O-N 3.12Å; V64-F66 PolarHBondContact O-N 3Å; V64-I67 PolarHBondContact O-N 3.07Å; V64-E68 HydrophobicContact CG1-CG 4.42Å; V64-E68 WeakPolarHBondContact O-CG 3.28Å; V64-E68 PolarHBondContact O-N 2.6Å; V64-A99 HydrophobicContact CG2-CB 4.43Å
65N95.9Very high89.8Confident32 Ų3266.2 Ų66.217%0.17134%0.335CS..Hα-helixtrans-55-40.6174.4-73-25000111.9K56 T58 N60 H61 K69K56-N65 PolarHBondContact O-ND2 3.19Å; T58-N65 PolarHBondContact OG1-ND2 2.91Å; T58-N65 PolarHBondContact OG1-OD1 2.83Å; N60-N65 WeakPolarHBondContact CB-OD1 3.29Å; N60-N65 PolarHBondContact O-ND2 2.74Å; H61-N65 PolarHBondContact O-N 3.4Å; H61-N65 VanDerWaalsContact O-N 3.07Å; N65-K69 VanDerWaalsContact O-CB 3.23Å; N65-K69 WeakPolarHBondContact O-CB 3.15Å; N65-K69 PolarHBondContact O-N 3.06Å
66F95.9Very high88.6Confident7 Ų766.1 Ų66.13%0.03133%0.328CS..Hα-helixtrans-65.2-46.4175.9172.7-84.2000111.8L38 Y40 I42 V62 E63 V64 K69 L70 I84 W86L38-F66 HydrophobicContact CD2-CB 3.74Å; L38-F66 HydrophobicContact CD2-CD2 3.9Å; L38-F66 HydrophobicContact CD2-CG 3.97Å; Y40-F66 AromaticContact CD1-CD2 3.67Å; Y40-F66 HydrophobicContact CD1-CD2 3.67Å; Y40-F66 AromaticContact CD1-CE2 3.84Å; Y40-F66 HydrophobicContact CD1-CE2 3.84Å; Y40-F66 HydrophobicContact CD2-CD2 4.17Å; Y40-F66 AromaticContact CD2-CE2 3.47Å; Y40-F66 HydrophobicContact CD2-CE2 3.47Å; Y40-F66 VanDerWaalsContact CD2-CE2 3.47Å; Y40-F66 HydrophobicContact CD2-CZ 4.45Å; Y40-F66 AromaticContact CE1-CD2 3.76Å; Y40-F66 HydrophobicContact CE1-CD2 3.76Å; Y40-F66 HydrophobicContact CE1-CE2 4.03Å; Y40-F66 HydrophobicContact CE2-CD2 4.22Å; Y40-F66 AromaticContact CE2-CE2 3.64Å; Y40-F66 HydrophobicContact CE2-CE2 3.64Å; Y40-F66 AromaticContact CG-CD2 3.84Å; Y40-F66 HydrophobicContact CG-CD2 3.84Å; Y40-F66 AromaticContact CG-CE2 3.51Å; Y40-F66 HydrophobicContact CG-CE2 3.51Å; Y40-F66 AromaticContact CZ-CD2 3.98Å; Y40-F66 AromaticContact CZ-CE2 3.89Å; I42-F66 HydrophobicContact CD1-CE2 4.17Å; I42-F66 HydrophobicContact CD1-CZ 4.1Å; I42-F66 HydrophobicContact CG1-CZ 4.49Å; V62-F66 WeakPolarHBondContact O-CB 3.44Å; V62-F66 PolarHBondContact O-N 3.47Å; E63-F66 PolarHBondContact O-N 3.38Å; V64-F66 PolarHBondContact O-N 3Å; F66-K69 PolarHBondContact O-N 3.19Å; F66-L70 HydrophobicContact CE1-CB 4.21Å; F66-L70 HydrophobicContact CE1-CD2 3.67Å; F66-L70 HydrophobicContact CZ-CB 4.42Å; F66-L70 HydrophobicContact CZ-CD2 3.85Å; F66-L70 WeakPolarHBondContact O-CB 3.27Å; F66-L70 PolarHBondContact O-N 3.32Å; F66-I84 HydrophobicContact CE1-CD1 4.18Å; F66-I84 HydrophobicContact CE1-CG2 4.33Å; F66-I84 HydrophobicContact CZ-CD1 4.14Å; F66-I84 HydrophobicContact CZ-CG2 3.82Å; F66-W86 HydrophobicContact CB-CZ2 4.4Å; F66-W86 AromaticContact CD1-CE2 3.74Å; F66-W86 HydrophobicContact CD1-CH2 4.22Å; F66-W86 AromaticContact CD1-CZ2 3.21Å; F66-W86 HydrophobicContact CD1-CZ2 3.21Å; F66-W86 AromaticContact CD1-NE1 3.75Å; F66-W86 AromaticContact CE1-CE2 3.79Å; F66-W86 AromaticContact CE1-CZ2 3.52Å; F66-W86 HydrophobicContact CE1-CZ2 3.52Å; F66-W86 AromaticContact CE1-NE1 3.46Å; F66-W86 AromaticContact CE2-NE1 3.75Å; F66-W86 AromaticContact CG-CZ2 3.87Å; F66-W86 HydrophobicContact CG-CZ2 3.87Å; F66-W86 HydrophobicContact CZ-CZ2 4.4Å; F66-W86 AromaticContact CZ-NE1 3.45Å
67I95.4Very high87.2Confident23 Ų2368.9 Ų68.912%0.11834%0.342CS..Hα-helixtrans-60.4-48.1-179.1-70.7164.6000110.2E63 V64 K69 L70 T71 A99 I100 F103E63-I67 WeakPolarHBondContact O-CG1 3.49Å; E63-I67 PolarHBondContact O-N 2.91Å; V64-I67 PolarHBondContact O-N 3.07Å; I67-K69 PolarHBondContact O-N 3.43Å; I67-L70 PolarHBondContact O-N 3.48Å; I67-T71 WeakPolarHBondContact O-CB 3.14Å; I67-T71 PolarHBondContact O-N 2.73Å; I67-T71 PolarHBondContact O-OG1 3.35Å; I67-A99 HydrophobicContact CD1-CB 4.37Å; I67-I100 HydrophobicContact CD1-CG1 4.19Å; I67-F103 HydrophobicContact CD1-CB 4.03Å; I67-F103 HydrophobicContact CD1-CG 4.39Å; I67-F103 HydrophobicContact CG1-CB 4.24Å; I67-F103 HydrophobicContact CG1-CD1 4.34Å; I67-F103 HydrophobicContact CG1-CD2 4.45Å; I67-F103 HydrophobicContact CG1-CG 4.08Å; I67-F103 HydrophobicContact CG2-CB 4.06Å; I67-F103 HydrophobicContact CG2-CD2 3.73Å; I67-F103 HydrophobicContact CG2-CE2 4.49Å; I67-F103 HydrophobicContact CG2-CG 4.02Å
68E93.1Very high85.9Confident102 Ų10269.4 Ų69.448%0.47735%0.35SS..Hα-helixtrans-59.1-48.2177.1-71177.3172.600111.4V64 L70 T71 S72V64-E68 HydrophobicContact CG1-CG 4.42Å; V64-E68 WeakPolarHBondContact O-CG 3.28Å; V64-E68 PolarHBondContact O-N 2.6Å; E68-L70 PolarHBondContact O-N 2.88Å; E68-T71 PolarHBondContact O-N 2.85Å; E68-S72 WeakPolarHBondContact O-CB 3.45Å; E68-S72 PolarHBondContact O-N 3.15Å; E68-S72 PolarHBondContact O-OG 3.44Å
69K91.9Very high84.8Confident87 Ų8770.6 Ų70.638%0.37836%0.362SS..Hα-helixtrans-57.5-51.9177.1-177.5-179.7179.9-175.50111Y40 N65 F66 I67 T71 S72 E73Y40-K69 WeakPolarHBondContact OH-CE 3.42Å; Y40-K69 PolarHBondContact OH-NZ 3.47Å; N65-K69 VanDerWaalsContact O-CB 3.23Å; N65-K69 WeakPolarHBondContact O-CB 3.15Å; N65-K69 PolarHBondContact O-N 3.06Å; F66-K69 PolarHBondContact O-N 3.19Å; I67-K69 PolarHBondContact O-N 3.43Å; K69-T71 VanDerWaalsContact C-N 3.33Å; K69-T71 PolarHBondContact O-N 3.31Å; K69-S72 PolarHBondContact O-N 2.84Å; K69-S72 PolarHBondContact O-OG 3.31Å; K69-E73 PolarHBondContact O-N 2.87Å
70L90.6Very high84.1Confident2 Ų268.4 Ų68.41%0.0134%0.344CS..Hα-helixtrans-62.3-41-177.9-174.664.3000111.8I42 W44 F66 I67 E68 S72 E73 F76 I84 F103I42-L70 HydrophobicContact CD1-CD1 3.78Å; W44-L70 HydrophobicContact CH2-CD1 3.88Å; W44-L70 HydrophobicContact CZ2-CD1 4.03Å; F66-L70 HydrophobicContact CE1-CB 4.21Å; F66-L70 HydrophobicContact CE1-CD2 3.67Å; F66-L70 HydrophobicContact CZ-CB 4.42Å; F66-L70 HydrophobicContact CZ-CD2 3.85Å; F66-L70 WeakPolarHBondContact O-CB 3.27Å; F66-L70 PolarHBondContact O-N 3.32Å; I67-L70 PolarHBondContact O-N 3.48Å; E68-L70 PolarHBondContact O-N 2.88Å; L70-S72 VanDerWaalsContact C-N 3.28Å; L70-S72 PolarHBondContact O-N 3.49Å; L70-E73 WeakPolarHBondContact O-CB 3.46Å; L70-E73 PolarHBondContact O-N 3.29Å; L70-E73 VanDerWaalsContact O-N 3.1Å; L70-F76 HydrophobicContact CD1-CD2 4.23Å; L70-F76 HydrophobicContact CD2-CD2 4.2Å; L70-F76 HydrophobicContact CD2-CE2 3.96Å; L70-F76 HydrophobicContact CD2-CZ 4.45Å; L70-F76 HydrophobicContact CG-CD2 3.91Å; L70-F76 HydrophobicContact CG-CE2 4.13Å; L70-F76 HydrophobicContact CG-CG 4.23Å; L70-F76 VanDerWaalsContact O-CB 3.3Å; L70-F76 WeakPolarHBondContact O-CB 3.47Å; L70-I84 HydrophobicContact CD2-CD1 3.6Å; L70-F103 HydrophobicContact CD2-CE1 4.42Å; L70-F103 HydrophobicContact CD2-CE2 4.28Å; L70-F103 HydrophobicContact CD2-CZ 3.61Å
71T88.1Confident83.8Confident54 Ų5468.4 Ų68.433%0.33135%0.35SS..Hα-helixtrans-68-30.8-179.3-52.70000111.7I67 E68 K69 E73 H77I67-T71 WeakPolarHBondContact O-CB 3.14Å; I67-T71 PolarHBondContact O-N 2.73Å; I67-T71 PolarHBondContact O-OG1 3.35Å; E68-T71 PolarHBondContact O-N 2.85Å; K69-T71 VanDerWaalsContact C-N 3.33Å; K69-T71 PolarHBondContact O-N 3.31Å; T71-E73 VanDerWaalsContact C-N 3.31Å; T71-H77 PolarHBondContact O-NE2 2.86Å
72S86.9Confident83.6Confident89 Ų8964.5 Ų64.562%0.62233%0.332SS*.Hα-helixtrans-77-12.6173.875.70000114.2E68 K69 L70 R74E68-S72 WeakPolarHBondContact O-CB 3.45Å; E68-S72 PolarHBondContact O-N 3.15Å; E68-S72 PolarHBondContact O-OG 3.44Å; K69-S72 PolarHBondContact O-N 2.84Å; K69-S72 PolarHBondContact O-OG 3.31Å; L70-S72 VanDerWaalsContact C-N 3.28Å; L70-S72 PolarHBondContact O-N 3.49Å; S72-R74 PolarHBondContact O-N 2.67Å
73E81.2Confident83.5Confident44 Ų4467 Ų6721%0.20635%0.35CS..SBendtrans-75.6124.6-179-74.8-170-172.400111.5K69 L70 T71 R75 F76K69-E73 PolarHBondContact O-N 2.87Å; L70-E73 WeakPolarHBondContact O-CB 3.46Å; L70-E73 PolarHBondContact O-N 3.29Å; L70-E73 VanDerWaalsContact O-N 3.1Å; T71-E73 VanDerWaalsContact C-N 3.31Å; E73-R75 PolarHBondContact O-N 3.49Å; E73-F76 VanDerWaalsContact O-CB 3.31Å; E73-F76 WeakPolarHBondContact O-CB 3.48Å; E73-F76 PolarHBondContact O-N 2.85Å
74R63.9Low83.4Confident232 Ų23266.7 Ų66.788%0.87535%0.348SS*.THydrogen-bonded Turntrans-50.5-31.3178.9-68.4-173.8-178-175.20.4114.7S72 F76 H77S72-R74 PolarHBondContact O-N 2.67Å; R74-F76 VanDerWaalsContact C-N 3.32Å; R74-H77 PolarHBondContact O-N 2.8Å
75R66.4Low83.5Confident130 Ų13066.3 Ų66.349%0.49135%0.346SS..THydrogen-bonded Turntrans-70.7-29.2179.8-68.8179.8-177.4-137.2-3.7112.4W44 E73 H77 S78W44-R75 HydrophobicContact CH2-CB 4.48Å; W44-R75 HydrophobicContact CZ2-CB 4.47Å; E73-R75 PolarHBondContact O-N 3.49Å; R75-H77 VanDerWaalsContact C-N 3.27Å; R75-H77 PolarHBondContact O-N 2.8Å; R75-S78 WeakPolarHBondContact O-CB 3.43Å; R75-S78 PolarHBondContact O-N 2.93Å; R75-S78 PolarHBondContact O-OG 3.46Å
76F67.7Low83.6Confident21 Ų2164.8 Ų64.89%0.09234%0.338CS..G310 helixtrans-68.9-29.4179.5-166-114.6000111.8W44 L70 E73 R74 S78 F103 H107 V110W44-F76 HydrophobicContact CH2-CB 4.16Å; W44-F76 AromaticContact CH2-CD2 3.83Å; W44-F76 HydrophobicContact CH2-CD2 3.83Å; W44-F76 AromaticContact CZ3-CD2 3.97Å; W44-F76 HydrophobicContact CZ3-CD2 3.97Å; L70-F76 HydrophobicContact CD1-CD2 4.23Å; L70-F76 HydrophobicContact CD2-CD2 4.2Å; L70-F76 HydrophobicContact CD2-CE2 3.96Å; L70-F76 HydrophobicContact CD2-CZ 4.45Å; L70-F76 HydrophobicContact CG-CD2 3.91Å; L70-F76 HydrophobicContact CG-CE2 4.13Å; L70-F76 HydrophobicContact CG-CG 4.23Å; L70-F76 VanDerWaalsContact O-CB 3.3Å; L70-F76 WeakPolarHBondContact O-CB 3.47Å; E73-F76 VanDerWaalsContact O-CB 3.31Å; E73-F76 WeakPolarHBondContact O-CB 3.48Å; E73-F76 PolarHBondContact O-N 2.85Å; R74-F76 VanDerWaalsContact C-N 3.32Å; F76-S78 PolarHBondContact O-N 2.97Å; F76-S78 VanDerWaalsContact O-N 3.16Å; F76-F103 AromaticContact CE1-CE2 3.83Å; F76-F103 HydrophobicContact CE1-CE2 3.83Å; F76-F103 HydrophobicContact CE1-CZ 4.4Å; F76-F103 HydrophobicContact CE2-CE2 4.3Å; F76-F103 HydrophobicContact CE2-CZ 4.05Å; F76-F103 AromaticContact CZ-CE2 3.41Å; F76-F103 HydrophobicContact CZ-CE2 3.41Å; F76-F103 VanDerWaalsContact CZ-CE2 3.41Å; F76-F103 AromaticContact CZ-CZ 3.55Å; F76-F103 HydrophobicContact CZ-CZ 3.55Å; F76-H107 AromaticContact CE1-CD2 3.27Å; F76-H107 WeakPolarHBondContact CE1-CD2 3.36Å; F76-H107 AromaticContact CE1-CE1 3.76Å; F76-H107 AromaticContact CE1-CG 3.78Å; F76-H107 AromaticContact CE1-NE2 3.26Å; F76-H107 VanDerWaalsContact CE1-NE2 3.26Å; F76-H107 WeakPolarHBondContact CE1-NE2 3.4Å; F76-H107 HydrophobicContact CZ-CB 3.95Å; F76-H107 AromaticContact CZ-CD2 3.35Å; F76-H107 WeakPolarHBondContact CZ-CD2 3.22Å; F76-H107 AromaticContact CZ-CG 3.44Å; F76-H107 VanDerWaalsContact CZ-CG 3.44Å; F76-H107 AromaticContact CZ-ND1 3.91Å; F76-H107 AromaticContact CZ-NE2 3.8Å; F76-V110 HydrophobicContact CE2-CG2 3.76Å; F76-V110 HydrophobicContact CZ-CG2 4.09Å
77H62.7Low83.7Confident135 Ų13564.8 Ų64.863%0.62534%0.338SS*.G310 helixtrans-69.6-5.8173.9-65-63.8000114.9T71 R74 R75 S79T71-H77 PolarHBondContact O-NE2 2.86Å; R74-H77 PolarHBondContact O-N 2.8Å; R75-H77 VanDerWaalsContact C-N 3.27Å; R75-H77 PolarHBondContact O-N 2.8Å; H77-S79 VanDerWaalsContact C-N 3.34Å; H77-S79 PolarHBondContact O-N 3.12Å
78S61.4Low83.8Confident58 Ų5863.7 Ų63.741%0.40633%0.332SS..G310 helixtrans-85.913.7-170.365.60000116.2R75 F76 I80R75-S78 WeakPolarHBondContact O-CB 3.43Å; R75-S78 PolarHBondContact O-N 2.93Å; R75-S78 PolarHBondContact O-OG 3.46Å; F76-S78 PolarHBondContact O-N 2.97Å; F76-S78 VanDerWaalsContact O-N 3.16Å; S78-I80 PolarHBondContact O-N 3.21Å; S78-I80 VanDerWaalsContact OG-CD1 3.23Å; S78-I80 WeakPolarHBondContact OG-CD1 3.39Å; S78-I80 WeakPolarHBondContact OG-CG1 3.3Å
79S67.1Low84Confident126 Ų12658.9 Ų58.988%0.88131%0.31SS*.  trans56.115.3-175.2-56.30000114.7H77H77-S79 VanDerWaalsContact C-N 3.34Å; H77-S79 PolarHBondContact O-N 3.12Å
80I75.4Confident84.3Confident89 Ų8955.8 Ų55.846%0.45630%0.296SS..  trans-83.7128.3178.5-60.1177.1000108.7W44 S78W44-I80 HydrophobicContact CB-CG2 4.49Å; S78-I80 PolarHBondContact O-N 3.21Å; S78-I80 VanDerWaalsContact OG-CD1 3.23Å; S78-I80 WeakPolarHBondContact OG-CD1 3.39Å; S78-I80 WeakPolarHBondContact OG-CG1 3.3Å
81S87.8Confident84.7Confident68 Ų6855.8 Ų55.848%0.47630%0.296SS..  trans-62.3146.7172.355.30000111.4G45 G109G45-S81 WeakPolarHBondContact CA-O 3.49Å; G45-S81 PolarHBondContact N-O 3.38Å; S81-G109 CarbonylContact C-O 3.54Å; S81-G109 WeakPolarHBondContact CA-O 3.45Å; S81-G109 WeakPolarHBondContact CB-O 3.12Å
82C91.3Very high85.2Confident3 Ų353.2 Ų53.22%0.0228%0.28CS..EExtended strand (participates in β ladder)trans-140.4148175.675.50000113I42 K43 W44 G109 V110 T111I42-C82 HydrophobicContact CG2-CB 4.1Å; K43-C82 CarbonylContact O-C 3.52Å; K43-C82 VanDerWaalsContact O-CA 3.22Å; K43-C82 WeakPolarHBondContact O-CA 3.32Å; K43-C82 WeakPolarHBondContact O-CB 3.2Å; W44-C82 HydrophobicContact CD2-CB 4.1Å; W44-C82 HydrophobicContact CE3-CB 3.54Å; W44-C82 HydrophobicContact CZ3-CB 3.84Å; C82-G109 PolarHBondContact N-O 3.02Å; C82-V110 WeakPolarHBondContact O-CA 3.37Å; C82-T111 PolarHBondContact O-N 3.41Å
83S94.8Very high85.7Confident56 Ų5649.3 Ų49.339%0.39225%0.253SS..EExtended strand (participates in β ladder)trans-107.1121.6172.7-58.60000109.4I42 K43 T111I42-S83 WeakPolarHBondContact CA-O 3.14Å; K43-S83 PolarHBondContact N-O 3.26Å; K43-S83 PolarHBondContact O-N 3.01Å; S83-T111 VanDerWaalsContact CA-OG1 3.3Å; S83-T111 WeakPolarHBondContact CA-OG1 3.32Å; S83-T111 WeakPolarHBondContact CB-OG1 3.2Å; S83-T111 PolarHBondContact OG-OG1 2.83Å
84I96.8Very high86.5Confident2 Ų250.8 Ų50.81%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-110.1130.8-177.5-53.6177.1000108E41 I42 F66 L70 W86 F103 V110 T111 L112 V113E41-I84 CarbonylContact O-C 3.45Å; E41-I84 WeakPolarHBondContact O-CA 3.37Å; I42-I84 HydrophobicContact CG1-CG1 4.39Å; I42-I84 HydrophobicContact CG1-CG2 4.48Å; I42-I84 HydrophobicContact CG2-CG1 4.43Å; F66-I84 HydrophobicContact CE1-CD1 4.18Å; F66-I84 HydrophobicContact CE1-CG2 4.33Å; F66-I84 HydrophobicContact CZ-CD1 4.14Å; F66-I84 HydrophobicContact CZ-CG2 3.82Å; L70-I84 HydrophobicContact CD2-CD1 3.6Å; I84-W86 VanDerWaalsContact CG2-CD1 3.44Å; I84-W86 VanDerWaalsContact CG2-NE1 3.27Å; I84-F103 HydrophobicContact CD1-CE1 4.4Å; I84-V110 HydrophobicContact CD1-CG1 3.47Å; I84-V110 VanDerWaalsContact CD1-CG1 3.47Å; I84-V110 HydrophobicContact CG1-CG1 4.04Å; I84-T111 PolarHBondContact N-O 3.12Å; I84-L112 HydrophobicContact CB-CD1 3.85Å; I84-L112 HydrophobicContact CG2-CD1 3.69Å; I84-L112 WeakPolarHBondContact O-CA 3.38Å; I84-V113 PolarHBondContact O-N 3.42Å
85T98.4Very high88.1Confident32 Ų3245.1 Ų45.120%0.19624%0.24CC..EExtended strand (participates in β ladder)trans-119.5123.8170.1-55.60000108.8Y40 E41 F87 V113 Y115Y40-T85 CarbonylContact C-O 3.28Å; Y40-T85 VanDerWaalsContact CA-O 3.27Å; Y40-T85 WeakPolarHBondContact CA-O 3.48Å; E41-T85 PolarHBondContact N-O 2.99Å; E41-T85 PolarHBondContact O-N 3.17Å; T85-F87 HydrophobicContact CG2-CD2 4.47Å; T85-F87 HydrophobicContact CG2-CE1 4.34Å; T85-F87 HydrophobicContact CG2-CE2 3.76Å; T85-F87 HydrophobicContact CG2-CZ 3.68Å; T85-V113 CarbonylContact C-O 3.6Å; T85-V113 WeakPolarHBondContact CA-O 3.31Å; T85-Y115 HydrophobicContact CG2-CD2 3.84Å; T85-Y115 HydrophobicContact CG2-CE2 3.8Å
86W98.7Very high89.6Confident1 Ų139 Ų390%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-105.1137174.7-72.50.7000110L38 E63 F66 I84 L88 I100 L112 V113 I114 Y115L38-W86 HydrophobicContact CD1-CB 3.53Å; L38-W86 HydrophobicContact CD1-CD2 3.91Å; L38-W86 HydrophobicContact CD1-CE3 4.43Å; L38-W86 HydrophobicContact CD1-CG 3.49Å; L38-W86 VanDerWaalsContact CD1-CG 3.49Å; L38-W86 HydrophobicContact CD2-CD2 4.37Å; E63-W86 HydrophobicContact CB-CH2 4.04Å; E63-W86 HydrophobicContact CB-CZ3 3.93Å; E63-W86 HydrophobicContact CG-CH2 4.35Å; E63-W86 HydrophobicContact CG-CZ3 3.72Å; F66-W86 HydrophobicContact CB-CZ2 4.4Å; F66-W86 AromaticContact CD1-CE2 3.74Å; F66-W86 HydrophobicContact CD1-CH2 4.22Å; F66-W86 AromaticContact CD1-CZ2 3.21Å; F66-W86 HydrophobicContact CD1-CZ2 3.21Å; F66-W86 AromaticContact CD1-NE1 3.75Å; F66-W86 AromaticContact CE1-CE2 3.79Å; F66-W86 AromaticContact CE1-CZ2 3.52Å; F66-W86 HydrophobicContact CE1-CZ2 3.52Å; F66-W86 AromaticContact CE1-NE1 3.46Å; F66-W86 AromaticContact CE2-NE1 3.75Å; F66-W86 AromaticContact CG-CZ2 3.87Å; F66-W86 HydrophobicContact CG-CZ2 3.87Å; F66-W86 HydrophobicContact CZ-CZ2 4.4Å; F66-W86 AromaticContact CZ-NE1 3.45Å; I84-W86 VanDerWaalsContact CG2-CD1 3.44Å; I84-W86 VanDerWaalsContact CG2-NE1 3.27Å; W86-L88 HydrophobicContact CE3-CD1 3.85Å; W86-L88 HydrophobicContact CE3-CG 4.45Å; W86-L88 HydrophobicContact CZ3-CD1 4.44Å; W86-I100 HydrophobicContact CH2-CD1 4.06Å; W86-I100 HydrophobicContact CH2-CG1 3.83Å; W86-I100 HydrophobicContact CZ3-CD1 3.61Å; W86-I100 HydrophobicContact CZ3-CG1 3.92Å; W86-L112 HydrophobicContact CD2-CD1 3.93Å; W86-L112 HydrophobicContact CG-CD1 3.96Å; W86-L112 HydrophobicContact CZ2-CD1 4.47Å; W86-V113 PolarHBondContact N-O 2.74Å; W86-I114 HydrophobicContact CB-CG1 4.46Å; W86-I114 HydrophobicContact CB-CG2 4.37Å; W86-I114 HydrophobicContact CE3-CD1 4.1Å; W86-I114 HydrophobicContact CE3-CG1 4.22Å; W86-I114 HydrophobicContact CZ3-CD1 4.45Å; W86-Y115 PolarHBondContact O-N 2.9Å
87F98.6Very high91.1Very high7 Ų738.2 Ų38.23%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-116.1106.1163.8-51.4-91.2000106.1Y27 L39 E41 T85 Y115 M144 E148 H151 C152 F156Y27-F87 PolarHBondContact OH-O 3.33Å; L39-F87 HydrophobicContact CB-CB 4.19Å; L39-F87 HydrophobicContact CB-CD2 4.42Å; L39-F87 PolarHBondContact N-O 3.48Å; L39-F87 PolarHBondContact O-N 3.45Å; E41-F87 HydrophobicContact CG-CE2 4.26Å; T85-F87 HydrophobicContact CG2-CD2 4.47Å; T85-F87 HydrophobicContact CG2-CE1 4.34Å; T85-F87 HydrophobicContact CG2-CE2 3.76Å; T85-F87 HydrophobicContact CG2-CZ 3.68Å; F87-Y115 CarbonylContact C-O 3.48Å; F87-Y115 WeakPolarHBondContact CA-O 3.44Å; F87-Y115 AromaticContact CD1-CD2 3.85Å; F87-Y115 HydrophobicContact CD1-CD2 3.85Å; F87-Y115 HydrophobicContact CD1-CG 4.04Å; F87-Y115 AromaticContact CE1-CD2 3.52Å; F87-Y115 HydrophobicContact CE1-CD2 3.52Å; F87-Y115 HydrophobicContact CE1-CE2 4.11Å; F87-Y115 HydrophobicContact CE1-CG 4.04Å; F87-Y115 HydrophobicContact CZ-CD2 4.21Å; F87-M144 HydrophobicContact CB-CE 4.34Å; F87-M144 HydrophobicContact CB-SD 4.27Å; F87-M144 HydrophobicContact CD1-CE 4.19Å; F87-E148 HydrophobicContact CD1-CB 4.36Å; F87-E148 HydrophobicContact CE1-CB 4.2Å; F87-E148 HydrophobicContact CE1-CG 4.15Å; F87-H151 AromaticContact CZ-CD2 3.55Å; F87-C152 WeakPolarHBondContact CD1-SG 3.5Å; F87-C152 WeakPolarHBondContact CG-SG 3.47Å; F87-F156 HydrophobicContact CD2-CE2 4.24Å; F87-F156 HydrophobicContact CD2-CZ 4.46Å; F87-F156 HydrophobicContact CE2-CE2 4.2Å
88L98.1Very high92.8Very high0 Ų035.1 Ų35.10%020%0.2CC..EExtended strand (participates in β ladder)trans-105.8141-176.7-79169.9000110.4L38 V62 E63 W86 W90 P92 I114 Y115 V116 A117L38-L88 HydrophobicContact CB-CD2 3.67Å; L38-L88 HydrophobicContact CD1-CD2 3.55Å; L38-L88 HydrophobicContact CD1-CG 3.76Å; L38-L88 HydrophobicContact CG-CD2 4.1Å; V62-L88 HydrophobicContact CG1-CD2 3.71Å; E63-L88 HydrophobicContact CG-CD1 4.23Å; W86-L88 HydrophobicContact CE3-CD1 3.85Å; W86-L88 HydrophobicContact CE3-CG 4.45Å; W86-L88 HydrophobicContact CZ3-CD1 4.44Å; L88-W90 VanDerWaalsContact CB-O 3.29Å; L88-W90 WeakPolarHBondContact CB-O 3.29Å; L88-W90 PolarHBondContact O-N 2.94Å; L88-P92 HydrophobicContact CD1-CG 3.99Å; L88-I114 HydrophobicContact CD1-CG2 3.91Å; L88-Y115 PolarHBondContact N-O 3.06Å; L88-V116 HydrophobicContact CB-CG1 4.3Å; L88-V116 CarbonylContact O-C 3.57Å; L88-V116 VanDerWaalsContact O-CA 3.31Å; L88-V116 WeakPolarHBondContact O-CA 3.45Å; L88-A117 PolarHBondContact O-N 2.85Å
89S97.1Very high94.6Very high0 Ų033.6 Ų33.60%019%0.191CC..SBendtrans-67.4-27.9171.965.90000113.1F26 A36 C37 R118F26-S89 WeakPolarHBondContact O-CB 3.49Å; A36-S89 VanDerWaalsContact CA-OG 3.3Å; A36-S89 WeakPolarHBondContact CA-OG 3.5Å; C37-S89 PolarHBondContact N-OG 2.83Å; C37-S89 PolarHBondContact O-N 2.96Å; C37-S89 PolarHBondContact O-OG 3.21Å; S89-R118 VanDerWaalsContact O-CZ 3.28Å; S89-R118 PolarHBondContact O-N 3.17Å; S89-R118 PolarHBondContact O-NH2 2.86Å; S89-R118 VanDerWaalsContact O-NH2 3.12Å
90W97.6Very high96.1Very high22 Ų2227.6 Ų27.68%0.08315%0.149CC..SBendtrans-135.3144.7-178.3-77.5119.4000110L32 R33 A36 L88 R118 L119 F120L32-W90 HydrophobicContact CB-CH2 4.45Å; L32-W90 HydrophobicContact CB-CZ2 4.44Å; L32-W90 HydrophobicContact CD2-CH2 3.65Å; L32-W90 HydrophobicContact CD2-CZ2 4.33Å; R33-W90 WeakPolarHBondContact O-CZ2 3.38Å; R33-W90 PolarHBondContact O-NE1 2.97Å; A36-W90 HydrophobicContact CB-CB 4.47Å; L88-W90 VanDerWaalsContact CB-O 3.29Å; L88-W90 WeakPolarHBondContact CB-O 3.29Å; L88-W90 PolarHBondContact O-N 2.94Å; W90-R118 CarbonylContact C-O 3.48Å; W90-R118 WeakPolarHBondContact CA-O 3.34Å; W90-R118 HydrophobicContact CD2-CB 4.16Å; W90-R118 HydrophobicContact CE3-CB 3.44Å; W90-R118 VanDerWaalsContact CE3-CB 3.44Å; W90-R118 HydrophobicContact CH2-CB 4.11Å; W90-R118 HydrophobicContact CZ3-CB 3.4Å; W90-R118 HydrophobicContact CZ3-CG 4.39Å; W90-L119 VanDerWaalsContact CZ3-O 3.28Å; W90-L119 WeakPolarHBondContact CZ3-O 3.3Å; W90-F120 HydrophobicContact CB-CB 4.24Å; W90-F120 HydrophobicContact CD2-CB 4.44Å; W90-F120 HydrophobicContact CD2-CD2 4.33Å; W90-F120 HydrophobicContact CE3-CB 4.02Å; W90-F120 HydrophobicContact CE3-CD2 4.42Å
91S98.2Very high97.1Very high2 Ų228.4 Ų28.41%0.01415%0.146CC..  trans-63.3147.4171.567.50000111.6R118 L119 F120S91-R118 PolarHBondContact N-O 3.17Å; S91-L119 WeakPolarHBondContact OG-CA 3.37Å; S91-F120 WeakPolarHBondContact O-CB 3.13Å; S91-F120 PolarHBondContact OG-N 3.38Å
92P98.3Very high97.6Very high0 Ų030.1 Ų30.10%015%0.147CC..  trans-55.3141.3175.1-25.234000112.3E63 L88 C96 I100 I114 L134E63-P92 HydrophobicContact CG-CG 4.48Å; E63-P92 WeakPolarHBondContact OE1-CA 3.33Å; L88-P92 HydrophobicContact CD1-CG 3.99Å; P92-C96 HydrophobicContact CB-CB 3.92Å; P92-I100 HydrophobicContact CB-CD1 4.06Å; P92-I100 HydrophobicContact CG-CD1 3.93Å; P92-I114 HydrophobicContact CG-CD1 4.39Å; P92-L134 HydrophobicContact CG-CD1 4.39Å
93C97.6Very high97.8Very high7 Ų730.4 Ų30.45%0.04715%0.148CC..  trans-74.6178.4167.771.90000111H61 E95 C96 S97 F120 N127H61-C93 VanDerWaalsContact CE1-SG 3.58Å; H61-C93 PolarHBondContact ND1-SG 2.95Å; C93-E95 PolarHBondContact SG-OE2 2.95Å; C93-C96 PolarHBondContact O-N 2.94Å; C93-S97 WeakPolarHBondContact O-CB 3.35Å; C93-S97 PolarHBondContact O-N 2.76Å; C93-S97 PolarHBondContact O-OG 3.34Å; C93-F120 HydrophobicContact CB-CD1 4.15Å; C93-F120 HydrophobicContact CB-CE1 4.27Å; C93-N127 WeakPolarHBondContact CA-OD1 3.45Å
94W98.1Very high97.8Very high75 Ų7529 Ų2928%0.28414%0.135SC..Hα-helixtrans-57.8-50.7178.7176.622.4000112.3C96 S97 Q98 Q126 N127W94-C96 VanDerWaalsContact C-N 3.32Å; W94-C96 PolarHBondContact O-N 3.18Å; W94-S97 WeakPolarHBondContact O-CB 3.35Å; W94-S97 PolarHBondContact O-N 3.48Å; W94-S97 VanDerWaalsContact O-N 3.1Å; W94-Q98 VanDerWaalsContact NE1-CD 3.31Å; W94-Q98 PolarHBondContact O-N 2.91Å; W94-Q126 HydrophobicContact CB-CB 3.99Å; W94-Q126 HydrophobicContact CD2-CB 3.68Å; W94-Q126 HydrophobicContact CD2-CG 4.1Å; W94-Q126 HydrophobicContact CE3-CB 3.42Å; W94-Q126 VanDerWaalsContact CE3-CB 3.42Å; W94-Q126 HydrophobicContact CE3-CG 3.51Å; W94-Q126 HydrophobicContact CG-CB 3.96Å; W94-Q126 HydrophobicContact CH2-CG 4.3Å; W94-Q126 HydrophobicContact CZ3-CB 4.11Å; W94-Q126 HydrophobicContact CZ3-CG 3.66Å; W94-Q126 VanDerWaalsContact CZ3-OE1 3.31Å; W94-N127 PolarHBondContact N-OD1 2.75Å
95E98.2Very high97.7Very high114 Ų11433.2 Ų33.253%0.53317%0.165SC..Hα-helixtrans-62.6-41.6-178.7-58.591162.400111.3C93 S97 Q98 A99C93-E95 PolarHBondContact SG-OE2 2.95Å; E95-S97 VanDerWaalsContact C-N 3.33Å; E95-S97 PolarHBondContact O-N 3.48Å; E95-Q98 PolarHBondContact O-N 3.45Å; E95-A99 PolarHBondContact O-N 3.47Å
96C98.4Very high97.4Very high1 Ų138.1 Ų38.11%0.00719%0.186CC..Hα-helixtrans-63.8-39.4174.5-68.30000111.9H61 E63 P92 C93 W94 Q98 A99 I100H61-C96 WeakPolarHBondContact CB-SG 3.22Å; H61-C96 PolarHBondContact ND1-SG 2.91Å; E63-C96 HydrophobicContact CB-CB 4.17Å; E63-C96 HydrophobicContact CG-CB 4.22Å; P92-C96 HydrophobicContact CB-CB 3.92Å; C93-C96 PolarHBondContact O-N 2.94Å; W94-C96 VanDerWaalsContact C-N 3.32Å; W94-C96 PolarHBondContact O-N 3.18Å; C96-Q98 VanDerWaalsContact C-N 3.31Å; C96-Q98 PolarHBondContact O-N 3.05Å; C96-A99 PolarHBondContact O-N 3.41Å; C96-I100 WeakPolarHBondContact O-CB 3.43Å; C96-I100 VanDerWaalsContact O-CD1 3.3Å; C96-I100 WeakPolarHBondContact O-CD1 3.49Å; C96-I100 WeakPolarHBondContact O-CG1 3.47Å; C96-I100 PolarHBondContact O-N 3.39Å
97S98.6Very high97.1Very high4 Ų440.3 Ų40.33%0.02820%0.196CC..Hα-helixtrans-61.9-40.3176.6-590000111.5C93 W94 E95 R101 L134C93-S97 WeakPolarHBondContact O-CB 3.35Å; C93-S97 PolarHBondContact O-N 2.76Å; C93-S97 PolarHBondContact O-OG 3.34Å; W94-S97 WeakPolarHBondContact O-CB 3.35Å; W94-S97 PolarHBondContact O-N 3.48Å; W94-S97 VanDerWaalsContact O-N 3.1Å; E95-S97 VanDerWaalsContact C-N 3.33Å; E95-S97 PolarHBondContact O-N 3.48Å; S97-R101 WeakPolarHBondContact O-CB 3.43Å; S97-R101 PolarHBondContact O-N 3.11Å; S97-R101 VanDerWaalsContact O-N 3.09Å; S97-L134 WeakPolarHBondContact O-CD2 3.29Å
98Q98.4Very high96.6Very high70 Ų7045.9 Ų45.933%0.32723%0.233SC..Hα-helixtrans-64.7-49173.8-71.2-175.6-31.200111.7W94 E95 C96 I100 R101 E102W94-Q98 VanDerWaalsContact NE1-CD 3.31Å; W94-Q98 PolarHBondContact O-N 2.91Å; E95-Q98 PolarHBondContact O-N 3.45Å; C96-Q98 VanDerWaalsContact C-N 3.31Å; C96-Q98 PolarHBondContact O-N 3.05Å; Q98-I100 VanDerWaalsContact C-N 3.33Å; Q98-I100 PolarHBondContact O-N 3.27Å; Q98-R101 WeakPolarHBondContact O-CB 3.34Å; Q98-R101 PolarHBondContact O-N 3.44Å; Q98-R101 VanDerWaalsContact O-N 3.11Å; Q98-E102 WeakPolarHBondContact O-CG 3.19Å; Q98-E102 PolarHBondContact O-N 2.98Å
99A98.4Very high96.3Very high27 Ų2747.8 Ų47.822%0.22325%0.252CS..Hα-helixtrans-59.5-42179.200000112.4V64 I67 E95 C96 E102 F103V64-A99 HydrophobicContact CG2-CB 4.43Å; I67-A99 HydrophobicContact CD1-CB 4.37Å; E95-A99 PolarHBondContact O-N 3.47Å; C96-A99 PolarHBondContact O-N 3.41Å; A99-E102 PolarHBondContact O-N 3.31Å; A99-F103 VanDerWaalsContact O-CB 3.32Å; A99-F103 WeakPolarHBondContact O-CB 3.27Å; A99-F103 PolarHBondContact O-N 3.18Å
100I98.5Very high96.1Very high0 Ų048.6 Ų48.60%026%0.257CS..Hα-helixtrans-61.7-44.9175.1-67.9159.8000110.4E63 I67 W86 P92 C96 Q98 F103 L104 L112 I114 L134E63-I100 HydrophobicContact CB-CD1 4.37Å; E63-I100 HydrophobicContact CG-CD1 4.33Å; I67-I100 HydrophobicContact CD1-CG1 4.19Å; W86-I100 HydrophobicContact CH2-CD1 4.06Å; W86-I100 HydrophobicContact CH2-CG1 3.83Å; W86-I100 HydrophobicContact CZ3-CD1 3.61Å; W86-I100 HydrophobicContact CZ3-CG1 3.92Å; P92-I100 HydrophobicContact CB-CD1 4.06Å; P92-I100 HydrophobicContact CG-CD1 3.93Å; C96-I100 WeakPolarHBondContact O-CB 3.43Å; C96-I100 VanDerWaalsContact O-CD1 3.3Å; C96-I100 WeakPolarHBondContact O-CD1 3.49Å; C96-I100 WeakPolarHBondContact O-CG1 3.47Å; C96-I100 PolarHBondContact O-N 3.39Å; Q98-I100 VanDerWaalsContact C-N 3.33Å; Q98-I100 PolarHBondContact O-N 3.27Å; I100-F103 WeakPolarHBondContact O-CB 3.28Å; I100-F103 PolarHBondContact O-N 2.77Å; I100-L104 HydrophobicContact CG2-CD1 3.94Å; I100-L104 HydrophobicContact CG2-CG 4.41Å; I100-L104 VanDerWaalsContact O-CG 3.31Å; I100-L104 WeakPolarHBondContact O-CG 3.27Å; I100-L104 PolarHBondContact O-N 2.95Å; I100-L112 HydrophobicContact CG2-CD2 3.6Å; I100-I114 HydrophobicContact CD1-CD1 4.49Å; I100-L134 HydrophobicContact CB-CD2 3.85Å; I100-L134 HydrophobicContact CD1-CD1 4.29Å; I100-L134 HydrophobicContact CG2-CD2 3.58Å
101R98Very high96Very high105 Ų10551.2 Ų51.240%0.39628%0.276SS..Hα-helixtrans-64.7-42-179.8-170.9-176.867.81641.4112S97 Q98 L104 S105S97-R101 WeakPolarHBondContact O-CB 3.43Å; S97-R101 PolarHBondContact O-N 3.11Å; S97-R101 VanDerWaalsContact O-N 3.09Å; Q98-R101 WeakPolarHBondContact O-CB 3.34Å; Q98-R101 PolarHBondContact O-N 3.44Å; Q98-R101 VanDerWaalsContact O-N 3.11Å; R101-L104 PolarHBondContact O-N 3.09Å; R101-S105 WeakPolarHBondContact O-CB 3.31Å; R101-S105 PolarHBondContact O-N 2.82Å; R101-S105 PolarHBondContact O-OG 3.16Å
102E97.3Very high96Very high105 Ų10551.7 Ų51.749%0.49128%0.278SS..Hα-helixtrans-63.7-42.8175-72.7173.6-169.100111.7Q98 A99 L104 S105 Q106Q98-E102 WeakPolarHBondContact O-CG 3.19Å; Q98-E102 PolarHBondContact O-N 2.98Å; A99-E102 PolarHBondContact O-N 3.31Å; E102-L104 PolarHBondContact O-N 3.01Å; E102-S105 PolarHBondContact O-N 3.04Å; E102-S105 PolarHBondContact O-OG 2.99Å; E102-Q106 VanDerWaalsContact O-CG 3.29Å; E102-Q106 WeakPolarHBondContact O-CG 3.38Å; E102-Q106 PolarHBondContact O-N 2.99Å; E102-Q106 VanDerWaalsContact O-N 3.16Å
103F95.9Very high96Very high9 Ų953.5 Ų53.54%0.03929%0.289CS..Hα-helixtrans-59.1-46.8173.9166.8-103.6000111.7I67 L70 F76 I84 A99 I100 Q106 H107 V110I67-F103 HydrophobicContact CD1-CB 4.03Å; I67-F103 HydrophobicContact CD1-CG 4.39Å; I67-F103 HydrophobicContact CG1-CB 4.24Å; I67-F103 HydrophobicContact CG1-CD1 4.34Å; I67-F103 HydrophobicContact CG1-CD2 4.45Å; I67-F103 HydrophobicContact CG1-CG 4.08Å; I67-F103 HydrophobicContact CG2-CB 4.06Å; I67-F103 HydrophobicContact CG2-CD2 3.73Å; I67-F103 HydrophobicContact CG2-CE2 4.49Å; I67-F103 HydrophobicContact CG2-CG 4.02Å; L70-F103 HydrophobicContact CD2-CE1 4.42Å; L70-F103 HydrophobicContact CD2-CE2 4.28Å; L70-F103 HydrophobicContact CD2-CZ 3.61Å; F76-F103 AromaticContact CE1-CE2 3.83Å; F76-F103 HydrophobicContact CE1-CE2 3.83Å; F76-F103 HydrophobicContact CE1-CZ 4.4Å; F76-F103 HydrophobicContact CE2-CE2 4.3Å; F76-F103 HydrophobicContact CE2-CZ 4.05Å; F76-F103 AromaticContact CZ-CE2 3.41Å; F76-F103 HydrophobicContact CZ-CE2 3.41Å; F76-F103 VanDerWaalsContact CZ-CE2 3.41Å; F76-F103 AromaticContact CZ-CZ 3.55Å; F76-F103 HydrophobicContact CZ-CZ 3.55Å; I84-F103 HydrophobicContact CD1-CE1 4.4Å; A99-F103 VanDerWaalsContact O-CB 3.32Å; A99-F103 WeakPolarHBondContact O-CB 3.27Å; A99-F103 PolarHBondContact O-N 3.18Å; I100-F103 WeakPolarHBondContact O-CB 3.28Å; I100-F103 PolarHBondContact O-N 2.77Å; F103-Q106 PolarHBondContact O-N 3.28Å; F103-H107 AromaticContact CD2-CE1 3.95Å; F103-H107 AromaticContact CD2-ND1 3.56Å; F103-H107 AromaticContact CE2-ND1 3.61Å; F103-H107 PolarHBondContact O-N 2.96Å; F103-H107 PolarHBondContact O-ND1 3.35Å; F103-V110 HydrophobicContact CE1-CG1 4.06Å; F103-V110 HydrophobicContact CZ-CG1 4.42Å; F103-V110 HydrophobicContact CZ-CG2 4.43Å
104L95.6Very high96.1Very high25 Ų2553.2 Ų53.213%0.13129%0.287CS..Hα-helixtrans-68.6-35.7-179.6-69173.6000112.7I100 R101 E102 Q106 H107 V110 L112 V139I100-L104 HydrophobicContact CG2-CD1 3.94Å; I100-L104 HydrophobicContact CG2-CG 4.41Å; I100-L104 VanDerWaalsContact O-CG 3.31Å; I100-L104 WeakPolarHBondContact O-CG 3.27Å; I100-L104 PolarHBondContact O-N 2.95Å; R101-L104 PolarHBondContact O-N 3.09Å; E102-L104 PolarHBondContact O-N 3.01Å; L104-Q106 VanDerWaalsContact C-N 3.32Å; L104-Q106 PolarHBondContact O-N 3.17Å; L104-H107 CarbonylContact O-C 3.54Å; L104-H107 VanDerWaalsContact O-C 3.28Å; L104-H107 PolarHBondContact O-N 2.83Å; L104-V110 HydrophobicContact CD2-CB 4.1Å; L104-V110 HydrophobicContact CD2-CG1 3.76Å; L104-L112 HydrophobicContact CD1-CB 4.26Å; L104-L112 HydrophobicContact CD1-CD2 4.21Å; L104-L112 HydrophobicContact CD2-CB 4.12Å; L104-V139 HydrophobicContact CD1-CG2 3.35Å
105S94.1Very high96.1Very high91 Ų9151.9 Ų51.964%0.63628%0.282SS*.Hα-helixtrans-68.2-32.9178.472.20000112.6R101 E102 H107R101-S105 WeakPolarHBondContact O-CB 3.31Å; R101-S105 PolarHBondContact O-N 2.82Å; R101-S105 PolarHBondContact O-OG 3.16Å; E102-S105 PolarHBondContact O-N 3.04Å; E102-S105 PolarHBondContact O-OG 2.99Å; S105-H107 VanDerWaalsContact C-N 3.29Å
106Q92.4Very high96.1Very high135 Ų13546.4 Ų46.463%0.63126%0.257SS*.Hα-helixtrans-74.2-19.9174.2-68.5172.610.400112.8E102 F103 L104E102-Q106 VanDerWaalsContact O-CG 3.29Å; E102-Q106 WeakPolarHBondContact O-CG 3.38Å; E102-Q106 PolarHBondContact O-N 2.99Å; E102-Q106 VanDerWaalsContact O-N 3.16Å; F103-Q106 PolarHBondContact O-N 3.28Å; L104-Q106 VanDerWaalsContact C-N 3.32Å; L104-Q106 PolarHBondContact O-N 3.17Å
107H91.5Very high96.1Very high48 Ų4846.4 Ų46.422%0.22226%0.257CS..  trans-129.773-173.4-54.694.6000111.6F76 F103 L104 S105 G109 V110F76-H107 AromaticContact CE1-CD2 3.27Å; F76-H107 WeakPolarHBondContact CE1-CD2 3.36Å; F76-H107 AromaticContact CE1-CE1 3.76Å; F76-H107 AromaticContact CE1-CG 3.78Å; F76-H107 AromaticContact CE1-NE2 3.26Å; F76-H107 VanDerWaalsContact CE1-NE2 3.26Å; F76-H107 WeakPolarHBondContact CE1-NE2 3.4Å; F76-H107 HydrophobicContact CZ-CB 3.95Å; F76-H107 AromaticContact CZ-CD2 3.35Å; F76-H107 WeakPolarHBondContact CZ-CD2 3.22Å; F76-H107 AromaticContact CZ-CG 3.44Å; F76-H107 VanDerWaalsContact CZ-CG 3.44Å; F76-H107 AromaticContact CZ-ND1 3.91Å; F76-H107 AromaticContact CZ-NE2 3.8Å; F103-H107 AromaticContact CD2-CE1 3.95Å; F103-H107 AromaticContact CD2-ND1 3.56Å; F103-H107 AromaticContact CE2-ND1 3.61Å; F103-H107 PolarHBondContact O-N 2.96Å; F103-H107 PolarHBondContact O-ND1 3.35Å; L104-H107 CarbonylContact O-C 3.54Å; L104-H107 VanDerWaalsContact O-C 3.28Å; L104-H107 PolarHBondContact O-N 2.83Å; S105-H107 VanDerWaalsContact C-N 3.29Å; H107-G109 PolarHBondContact O-N 2.83Å; H107-V110 HydrophobicContact CB-CB 4.35Å; H107-V110 HydrophobicContact CB-CG2 3.64Å; H107-V110 WeakPolarHBondContact O-CB 3.35Å; H107-V110 PolarHBondContact O-N 3.43Å
108P89.1Confident96Very high124 Ų12446.2 Ų46.281%0.80526%0.255SS*.THydrogen-bonded Turntrans-63.5-15.2-17425.8-35.9000114.6V110P108-V110 PolarHBondContact O-N 3.35Å
109G90.3Very high95.9Very high39 Ų3943 Ų4340%0.40224%0.241SC..THydrogen-bonded Turntrans-80.31.1173.300000114.5S81 C82 H107S81-G109 CarbonylContact C-O 3.54Å; S81-G109 WeakPolarHBondContact CA-O 3.45Å; S81-G109 WeakPolarHBondContact CB-O 3.12Å; C82-G109 PolarHBondContact N-O 3.02Å; H107-G109 PolarHBondContact O-N 2.83Å
110V93.4Very high95.8Very high17 Ų1744.2 Ų44.210%0.10324%0.241CC..EExtended strand (participates in β ladder)trans-102.7125.7-177.1-178.30000110.5F76 C82 I84 F103 L104 H107 P108F76-V110 HydrophobicContact CE2-CG2 3.76Å; F76-V110 HydrophobicContact CZ-CG2 4.09Å; C82-V110 WeakPolarHBondContact O-CA 3.37Å; I84-V110 HydrophobicContact CD1-CG1 3.47Å; I84-V110 VanDerWaalsContact CD1-CG1 3.47Å; I84-V110 HydrophobicContact CG1-CG1 4.04Å; F103-V110 HydrophobicContact CE1-CG1 4.06Å; F103-V110 HydrophobicContact CZ-CG1 4.42Å; F103-V110 HydrophobicContact CZ-CG2 4.43Å; L104-V110 HydrophobicContact CD2-CB 4.1Å; L104-V110 HydrophobicContact CD2-CG1 3.76Å; H107-V110 HydrophobicContact CB-CB 4.35Å; H107-V110 HydrophobicContact CB-CG2 3.64Å; H107-V110 WeakPolarHBondContact O-CB 3.35Å; H107-V110 PolarHBondContact O-N 3.43Å; P108-V110 PolarHBondContact O-N 3.35Å
111T96Very high95.6Very high78 Ų7852.5 Ų52.548%0.47927%0.272SS..EExtended strand (participates in β ladder)trans-108.3133.8169.9620000109.7C82 S83 I84C82-T111 PolarHBondContact O-N 3.41Å; S83-T111 VanDerWaalsContact CA-OG1 3.3Å; S83-T111 WeakPolarHBondContact CA-OG1 3.32Å; S83-T111 WeakPolarHBondContact CB-OG1 3.2Å; S83-T111 PolarHBondContact OG-OG1 2.83Å; I84-T111 PolarHBondContact N-O 3.12Å
112L98.3Very high95.5Very high11 Ų1148.2 Ų48.26%0.05826%0.257CS..EExtended strand (participates in β ladder)trans-121.9132.2-178.3-179.963.1000111.8I84 W86 I100 L104 I114 V139I84-L112 HydrophobicContact CB-CD1 3.85Å; I84-L112 HydrophobicContact CG2-CD1 3.69Å; I84-L112 WeakPolarHBondContact O-CA 3.38Å; W86-L112 HydrophobicContact CD2-CD1 3.93Å; W86-L112 HydrophobicContact CG-CD1 3.96Å; W86-L112 HydrophobicContact CZ2-CD1 4.47Å; I100-L112 HydrophobicContact CG2-CD2 3.6Å; L104-L112 HydrophobicContact CD1-CB 4.26Å; L104-L112 HydrophobicContact CD1-CD2 4.21Å; L104-L112 HydrophobicContact CD2-CB 4.12Å; L112-I114 HydrophobicContact CD1-CG1 4.25Å; L112-I114 HydrophobicContact CD2-CD1 3.92Å; L112-I114 HydrophobicContact CD2-CG1 4.02Å; L112-I114 HydrophobicContact CG-CD1 4.34Å; L112-I114 HydrophobicContact CG-CG1 3.88Å; L112-V139 HydrophobicContact CB-CG1 4.39Å; L112-V139 HydrophobicContact CD2-CG1 4.18Å; L112-V139 HydrophobicContact CD2-CG2 4.45Å; L112-V139 HydrophobicContact CG-CG1 4.09Å
113V98.7Very high95.5Very high39 Ų3947.4 Ų47.424%0.23626%0.259CS..EExtended strand (participates in β ladder)trans-120133.3167.7179.70000108.4I84 T85 W86 Y115 T140I84-V113 PolarHBondContact O-N 3.42Å; T85-V113 CarbonylContact C-O 3.6Å; T85-V113 WeakPolarHBondContact CA-O 3.31Å; W86-V113 PolarHBondContact N-O 2.74Å; V113-Y115 HydrophobicContact CG1-CD2 4.19Å; V113-Y115 HydrophobicContact CG1-CE2 3.65Å; V113-T140 HydrophobicContact CG1-CG2 4.31Å
114I98.8Very high95.6Very high0 Ų049.5 Ų49.50%027%0.271CS..EExtended strand (participates in β ladder)trans-120.8118.1-179.3-51.8-179.7000109.4W86 L88 P92 I100 L112 V116 L134 V139 T140 I141 Q142W86-I114 HydrophobicContact CB-CG1 4.46Å; W86-I114 HydrophobicContact CB-CG2 4.37Å; W86-I114 HydrophobicContact CE3-CD1 4.1Å; W86-I114 HydrophobicContact CE3-CG1 4.22Å; W86-I114 HydrophobicContact CZ3-CD1 4.45Å; L88-I114 HydrophobicContact CD1-CG2 3.91Å; P92-I114 HydrophobicContact CG-CD1 4.39Å; I100-I114 HydrophobicContact CD1-CD1 4.49Å; L112-I114 HydrophobicContact CD1-CG1 4.25Å; L112-I114 HydrophobicContact CD2-CD1 3.92Å; L112-I114 HydrophobicContact CD2-CG1 4.02Å; L112-I114 HydrophobicContact CG-CD1 4.34Å; L112-I114 HydrophobicContact CG-CG1 3.88Å; I114-V116 HydrophobicContact CG2-CG1 3.58Å; I114-L134 HydrophobicContact CD1-CD1 4.47Å; I114-V139 HydrophobicContact CD1-CG1 3.75Å; I114-V139 HydrophobicContact CG1-CG1 3.79Å; I114-T140 PolarHBondContact N-O 3.11Å; I114-I141 HydrophobicContact CB-CG1 4.38Å; I114-I141 CarbonylContact O-C 3.54Å; I114-I141 VanDerWaalsContact O-CA 3.28Å; I114-I141 WeakPolarHBondContact O-CA 3.33Å; I114-Q142 PolarHBondContact O-N 2.89Å
115Y98.8Very high95.7Very high47 Ų4755.7 Ų55.718%0.18430%0.299CS..EExtended strand (participates in β ladder)trans-98.3130.7163.4-64.1-82.1000109T85 W86 F87 L88 V113 Q142 E148T85-Y115 HydrophobicContact CG2-CD2 3.84Å; T85-Y115 HydrophobicContact CG2-CE2 3.8Å; W86-Y115 PolarHBondContact O-N 2.9Å; F87-Y115 CarbonylContact C-O 3.48Å; F87-Y115 WeakPolarHBondContact CA-O 3.44Å; F87-Y115 AromaticContact CD1-CD2 3.85Å; F87-Y115 HydrophobicContact CD1-CD2 3.85Å; F87-Y115 HydrophobicContact CD1-CG 4.04Å; F87-Y115 AromaticContact CE1-CD2 3.52Å; F87-Y115 HydrophobicContact CE1-CD2 3.52Å; F87-Y115 HydrophobicContact CE1-CE2 4.11Å; F87-Y115 HydrophobicContact CE1-CG 4.04Å; F87-Y115 HydrophobicContact CZ-CD2 4.21Å; L88-Y115 PolarHBondContact N-O 3.06Å; V113-Y115 HydrophobicContact CG1-CD2 4.19Å; V113-Y115 HydrophobicContact CG1-CE2 3.65Å; Y115-Q142 CarbonylContact C-O 3.57Å; Y115-Q142 VanDerWaalsContact CA-O 3.29Å; Y115-Q142 WeakPolarHBondContact CA-O 3.4Å; Y115-Q142 HydrophobicContact CD1-CB 3.89Å; Y115-Q142 HydrophobicContact CE1-CB 4.01Å; Y115-Q142 VanDerWaalsContact CE1-OE1 3.25Å; Y115-E148 HydrophobicContact CD1-CG 3.56Å; Y115-E148 HydrophobicContact CD2-CG 4.44Å; Y115-E148 HydrophobicContact CE1-CG 3.72Å; Y115-E148 HydrophobicContact CG-CG 3.93Å
116V98.4Very high95.9Very high0 Ų056 Ų560%029%0.29CS..EExtended strand (participates in β ladder)trans-121.1135.5179.4-51.70000110.3L88 I114 L119 I141 Q142 I143 M144L88-V116 HydrophobicContact CB-CG1 4.3Å; L88-V116 CarbonylContact O-C 3.57Å; L88-V116 VanDerWaalsContact O-CA 3.31Å; L88-V116 WeakPolarHBondContact O-CA 3.45Å; I114-V116 HydrophobicContact CG2-CG1 3.58Å; V116-L119 HydrophobicContact CG2-CD2 4.13Å; V116-I141 HydrophobicContact CG1-CG2 4.46Å; V116-Q142 PolarHBondContact N-O 3.34Å; V116-I143 HydrophobicContact CG2-CD1 3.39Å; V116-I143 CarbonylContact O-C 3.48Å; V116-I143 VanDerWaalsContact O-CA 3.28Å; V116-I143 WeakPolarHBondContact O-CA 3.48Å; V116-M144 PolarHBondContact O-N 3.39Å
117A96.9Very high96.1Very high0 Ų049.9 Ų49.90%026%0.262CS..SBendtrans-75.8-37.3177.400000112Y27 L88 M144 Y149Y27-A117 HydrophobicContact CD1-CB 4.06Å; L88-A117 PolarHBondContact O-N 2.85Å; A117-M144 HydrophobicContact CB-SD 4.04Å; A117-Y149 WeakPolarHBondContact CB-OH 3.24Å
118R96.8Very high96.5Very high0 Ų048.3 Ų48.30%025%0.254CS..SBendtrans-142.5157.2-176.8-59.8179.1-64.6-82-6110.7F26 D28 P29 E31 S89 W90 S91 Y178F26-R118 VanDerWaalsContact O-CZ 3.22Å; F26-R118 PolarHBondContact O-NH1 2.77Å; F26-R118 PolarHBondContact O-NH2 2.88Å; D28-R118 PolarHBondContact O-NH1 3.21Å; P29-R118 WeakPolarHBondContact O-CD 3.23Å; E31-R118 PolarHBondContact O-NE 2.8Å; S89-R118 VanDerWaalsContact O-CZ 3.28Å; S89-R118 PolarHBondContact O-N 3.17Å; S89-R118 PolarHBondContact O-NH2 2.86Å; S89-R118 VanDerWaalsContact O-NH2 3.12Å; W90-R118 CarbonylContact C-O 3.48Å; W90-R118 WeakPolarHBondContact CA-O 3.34Å; W90-R118 HydrophobicContact CD2-CB 4.16Å; W90-R118 HydrophobicContact CE3-CB 3.44Å; W90-R118 VanDerWaalsContact CE3-CB 3.44Å; W90-R118 HydrophobicContact CH2-CB 4.11Å; W90-R118 HydrophobicContact CZ3-CB 3.4Å; W90-R118 HydrophobicContact CZ3-CG 4.39Å; S91-R118 PolarHBondContact N-O 3.17Å; R118-Y178 HydrophobicContact CB-CE1 4.06Å; R118-Y178 HydrophobicContact CB-CE2 4.21Å; R118-Y178 HydrophobicContact CG-CE2 3.81Å
119L97.2Very high96.9Very high3 Ų346 Ų462%0.01623%0.233CC..  trans-96.6120.7176.4-61.4173.8000111.2W90 S91 V116 H122 L131 I143 Y178 E181 L182 I185W90-L119 VanDerWaalsContact CZ3-O 3.28Å; W90-L119 WeakPolarHBondContact CZ3-O 3.3Å; S91-L119 WeakPolarHBondContact OG-CA 3.37Å; V116-L119 HydrophobicContact CG2-CD2 4.13Å; L119-H122 HydrophobicContact CB-CB 3.69Å; L119-H122 HydrophobicContact CD1-CB 4.17Å; L119-L131 HydrophobicContact CD2-CD1 4.42Å; L119-I143 HydrophobicContact CD2-CD1 3.93Å; L119-I143 HydrophobicContact CG-CD1 4.19Å; L119-Y178 HydrophobicContact CB-CD1 4.06Å; L119-Y178 HydrophobicContact CB-CE1 4.36Å; L119-Y178 HydrophobicContact CD1-CD1 4.22Å; L119-Y178 HydrophobicContact CG-CD1 3.92Å; L119-E181 HydrophobicContact CD1-CB 3.76Å; L119-E181 HydrophobicContact CD1-CG 3.65Å; L119-L182 HydrophobicContact CD1-CB 4.27Å; L119-L182 HydrophobicContact CD2-CB 4.4Å; L119-L182 HydrophobicContact CD2-CD1 4.18Å; L119-I185 HydrophobicContact CD1-CD1 3.98Å
120F95.8Very high97.3Very high53 Ų5344.2 Ų44.223%0.23221%0.214CC..THydrogen-bonded Turntrans-79.2122.9178.5-175.8-103.8000110.4W90 S91 C93 H122W90-F120 HydrophobicContact CB-CB 4.24Å; W90-F120 HydrophobicContact CD2-CB 4.44Å; W90-F120 HydrophobicContact CD2-CD2 4.33Å; W90-F120 HydrophobicContact CE3-CB 4.02Å; W90-F120 HydrophobicContact CE3-CD2 4.42Å; S91-F120 WeakPolarHBondContact O-CB 3.13Å; S91-F120 PolarHBondContact OG-N 3.38Å; C93-F120 HydrophobicContact CB-CD1 4.15Å; C93-F120 HydrophobicContact CB-CE1 4.27Å; F120-H122 PolarHBondContact O-N 2.93Å; F120-H122 VanDerWaalsContact O-N 3.14Å
121W95.1Very high97.6Very high173 Ų17343.6 Ų43.666%0.65521%0.21SC*.THydrogen-bonded Turntrans43.551.3178.2-72.43.4000112.6T123 D124 N127W121-T123 PolarHBondContact O-N 3.38Å; W121-D124 HydrophobicContact CB-CB 4.2Å; W121-D124 VanDerWaalsContact O-CB 3.27Å; W121-D124 WeakPolarHBondContact O-CB 3.42Å; W121-D124 PolarHBondContact O-N 3.14Å; W121-N127 VanDerWaalsContact CB-ND2 3.3Å; W121-N127 WeakPolarHBondContact CB-ND2 3.42Å
122H95.8Very high97.7Very high15 Ų1541.1 Ų41.17%0.06919%0.192CC..THydrogen-bonded Turntrans-64.1-16.5-170.267.1-81.1000114.7L119 F120 R128 E181 I185 L193L119-H122 HydrophobicContact CB-CB 3.69Å; L119-H122 HydrophobicContact CD1-CB 4.17Å; F120-H122 PolarHBondContact O-N 2.93Å; F120-H122 VanDerWaalsContact O-N 3.14Å; H122-R128 VanDerWaalsContact O-CD 3.27Å; H122-R128 WeakPolarHBondContact O-CD 3.35Å; H122-R128 WeakPolarHBondContact O-CG 3.23Å; H122-R128 PolarHBondContact O-NH1 2.85Å; H122-E181 HydrophobicContact CB-CG 4.19Å; H122-E181 VanDerWaalsContact CD2-CG 3.49Å; H122-E181 WeakPolarHBondContact CD2-CG 3.49Å; H122-E181 IonicContact CD2-OE1 2.77Å; H122-E181 PolarHBondContact CD2-OE1 3.38Å; H122-I185 HydrophobicContact CB-CD1 4.36Å; H122-L193 PolarHBondContact NE2-O 3.3Å
123T96.1Very high97.7Very high88 Ų8842.6 Ų42.654%0.5420%0.2SC..THydrogen-bonded Turntrans-85.8-13.9174.558.30000113.3W121 P191W121-T123 PolarHBondContact O-N 3.38Å; T123-P191 HydrophobicContact CG2-CB 4.08Å; T123-P191 HydrophobicContact CG2-CG 4.38Å
124D97.8Very high97.7Very high53 Ų5340.8 Ų40.828%0.28319%0.189SC..  trans-72.3131179.3175.2-97.1000111.2W121 Q126 N127 R128W121-D124 HydrophobicContact CB-CB 4.2Å; W121-D124 VanDerWaalsContact O-CB 3.27Å; W121-D124 WeakPolarHBondContact O-CB 3.42Å; W121-D124 PolarHBondContact O-N 3.14Å; D124-Q126 VanDerWaalsContact C-N 3.32Å; D124-Q126 PolarHBondContact O-N 3.07Å; D124-Q126 WeakPolarHBondContact OD1-CA 3.37Å; D124-Q126 WeakPolarHBondContact OD1-CB 3.32Å; D124-Q126 PolarHBondContact OD1-N 2.88Å; D124-N127 HydrophobicContact CB-CB 4.29Å; D124-N127 PolarHBondContact OD1-N 2.83Å; D124-R128 WeakPolarHBondContact O-CG 3.46Å; D124-R128 PolarHBondContact O-N 2.87Å; D124-R128 VanDerWaalsContact O-N 3.07Å
125Q97.7Very high97.7Very high156 Ų15642.8 Ų42.873%0.72920%0.201SC*.Hα-helixtrans-66.5-35.3-172.9-175.2176.2-7.200112.5Q129Q125-Q129 WeakPolarHBondContact O-CB 3.26Å; Q125-Q129 PolarHBondContact O-N 2.78Å
126Q98.3Very high97.6Very high97 Ų9746.7 Ų46.745%0.45323%0.225SC..Hα-helixtrans-71.8-45.4-177.7-68.9171.8-21.700110.7W94 D124 R128 Q129 G130W94-Q126 HydrophobicContact CB-CB 3.99Å; W94-Q126 HydrophobicContact CD2-CB 3.68Å; W94-Q126 HydrophobicContact CD2-CG 4.1Å; W94-Q126 HydrophobicContact CE3-CB 3.42Å; W94-Q126 VanDerWaalsContact CE3-CB 3.42Å; W94-Q126 HydrophobicContact CE3-CG 3.51Å; W94-Q126 HydrophobicContact CG-CB 3.96Å; W94-Q126 HydrophobicContact CH2-CG 4.3Å; W94-Q126 HydrophobicContact CZ3-CB 4.11Å; W94-Q126 HydrophobicContact CZ3-CG 3.66Å; W94-Q126 VanDerWaalsContact CZ3-OE1 3.31Å; D124-Q126 VanDerWaalsContact C-N 3.32Å; D124-Q126 PolarHBondContact O-N 3.07Å; D124-Q126 WeakPolarHBondContact OD1-CA 3.37Å; D124-Q126 WeakPolarHBondContact OD1-CB 3.32Å; D124-Q126 PolarHBondContact OD1-N 2.88Å; Q126-R128 VanDerWaalsContact C-N 3.34Å; Q126-R128 PolarHBondContact O-N 3.41Å; Q126-Q129 PolarHBondContact O-N 2.86Å; Q126-G130 PolarHBondContact O-N 3.27Å
127N98.3Very high97.6Very high6 Ų649.2 Ų49.23%0.03224%0.243CC..Hα-helixtrans-61.7-42.4174.6-71.4-19.5000111.9C93 W94 W121 D124 Q129 G130 L131C93-N127 WeakPolarHBondContact CA-OD1 3.45Å; W94-N127 PolarHBondContact N-OD1 2.75Å; W121-N127 VanDerWaalsContact CB-ND2 3.3Å; W121-N127 WeakPolarHBondContact CB-ND2 3.42Å; D124-N127 HydrophobicContact CB-CB 4.29Å; D124-N127 PolarHBondContact OD1-N 2.83Å; N127-Q129 VanDerWaalsContact C-N 3.3Å; N127-Q129 PolarHBondContact O-N 2.97Å; N127-G130 PolarHBondContact O-N 2.86Å; N127-L131 WeakPolarHBondContact O-CG 3.48Å; N127-L131 PolarHBondContact O-N 2.84Å
128R98.6Very high97.6Very high16 Ų1652.3 Ų52.36%0.0627%0.274CS..Hα-helixtrans-60-41.9174.8-68.117779.678.4-0.3111.7H122 D124 Q126 R132 E181 I185 L189H122-R128 VanDerWaalsContact O-CD 3.27Å; H122-R128 WeakPolarHBondContact O-CD 3.35Å; H122-R128 WeakPolarHBondContact O-CG 3.23Å; H122-R128 PolarHBondContact O-NH1 2.85Å; D124-R128 WeakPolarHBondContact O-CG 3.46Å; D124-R128 PolarHBondContact O-N 2.87Å; D124-R128 VanDerWaalsContact O-N 3.07Å; Q126-R128 VanDerWaalsContact C-N 3.34Å; Q126-R128 PolarHBondContact O-N 3.41Å; R128-R132 PolarHBondContact O-N 3.29Å; R128-R132 PolarHBondContact O-NH1 3.1Å; R128-E181 IonicContact CZ-OE1 3.22Å; R128-E181 IonicContact NH1-OE1 3.71Å; R128-E181 PolarHBondContact NH1-OE1 3.47Å; R128-E181 IonicContact NH2-OE1 2.96Å; R128-I185 HydrophobicContact CB-CG2 4.21Å; R128-I185 HydrophobicContact CG-CD1 4.42Å; R128-I185 HydrophobicContact CG-CG1 4.07Å; R128-I185 VanDerWaalsContact CZ-CG1 3.44Å; R128-I185 WeakPolarHBondContact O-CG2 3.48Å; R128-L189 PolarHBondContact NH2-O 3.25Å
129Q98.6Very high97.6Very high75 Ų7552.4 Ų52.435%0.3528%0.275SS..Hα-helixtrans-66.3-43.6176.3-172.86146.500111.4Q125 Q126 N127 L131 R132 D133Q125-Q129 WeakPolarHBondContact O-CB 3.26Å; Q125-Q129 PolarHBondContact O-N 2.78Å; Q126-Q129 PolarHBondContact O-N 2.86Å; N127-Q129 VanDerWaalsContact C-N 3.3Å; N127-Q129 PolarHBondContact O-N 2.97Å; Q129-L131 VanDerWaalsContact C-N 3.34Å; Q129-L131 PolarHBondContact O-N 3.45Å; Q129-R132 WeakPolarHBondContact O-CB 3.36Å; Q129-R132 PolarHBondContact O-N 2.97Å; Q129-R132 VanDerWaalsContact O-N 3.12Å; Q129-D133 PolarHBondContact NE2-OD1 2.95Å; Q129-D133 VanDerWaalsContact O-CG 3.24Å; Q129-D133 PolarHBondContact O-N 3.31Å
130G98.6Very high97.7Very high1 Ų155.6 Ų55.61%0.0130%0.295CS..Hα-helixtrans-56.5-45.5176.900000112.8Q126 N127 R132 D133 L134Q126-G130 PolarHBondContact O-N 3.27Å; N127-G130 PolarHBondContact O-N 2.86Å; G130-R132 PolarHBondContact O-N 3.09Å; G130-D133 PolarHBondContact O-N 2.87Å; G130-L134 WeakPolarHBondContact O-CG 3.27Å; G130-L134 PolarHBondContact O-N 2.86Å
131L98.8Very high97.8Very high4 Ų453.5 Ų53.52%0.02129%0.286CS..Hα-helixtrans-64-38.9176.1-66.1176.4000112.7L119 N127 Q129 V135 I141 I185L119-L131 HydrophobicContact CD2-CD1 4.42Å; N127-L131 WeakPolarHBondContact O-CG 3.48Å; N127-L131 PolarHBondContact O-N 2.84Å; Q129-L131 VanDerWaalsContact C-N 3.34Å; Q129-L131 PolarHBondContact O-N 3.45Å; L131-V135 WeakPolarHBondContact O-CG2 3.26Å; L131-V135 PolarHBondContact O-N 3.4Å; L131-I141 HydrophobicContact CD2-CD1 4.01Å; L131-I185 HydrophobicContact CB-CG2 3.93Å; L131-I185 HydrophobicContact CD1-CD1 3.98Å; L131-I185 HydrophobicContact CD1-CG2 4.25Å
132R98.6Very high98Very high27 Ų2749.8 Ų49.810%0.10228%0.276CS..Hα-helixtrans-64-43.3172.9-76.4-169.9-66.1-83.41.7111.9R128 Q129 G130 L134 V135 N136 I185 S188R128-R132 PolarHBondContact O-N 3.29Å; R128-R132 PolarHBondContact O-NH1 3.1Å; Q129-R132 WeakPolarHBondContact O-CB 3.36Å; Q129-R132 PolarHBondContact O-N 2.97Å; Q129-R132 VanDerWaalsContact O-N 3.12Å; G130-R132 PolarHBondContact O-N 3.09Å; R132-L134 VanDerWaalsContact C-N 3.28Å; R132-L134 PolarHBondContact O-N 3.47Å; R132-V135 PolarHBondContact O-N 2.91Å; R132-N136 WeakPolarHBondContact O-CB 3.44Å; R132-N136 PolarHBondContact O-N 3.21Å; R132-N136 PolarHBondContact O-ND2 3.27Å; R132-I185 VanDerWaalsContact CD-O 3.23Å; R132-I185 WeakPolarHBondContact CD-O 3.5Å; R132-I185 HydrophobicContact CG-CG2 4.37Å; R132-I185 WeakPolarHBondContact CG-O 3.39Å; R132-I185 PolarHBondContact NH1-O 2.93Å; R132-I185 VanDerWaalsContact NH1-O 3.12Å; R132-S188 WeakPolarHBondContact CD-OG 3.23Å
133D98.4Very high98.1Very high42 Ų4249.6 Ų49.623%0.22528%0.275CS..Hα-helixtrans-61.8-39.3-179.5-69.9-15.2000111.2Q129 G130 N136 S137Q129-D133 PolarHBondContact NE2-OD1 2.95Å; Q129-D133 VanDerWaalsContact O-CG 3.24Å; Q129-D133 PolarHBondContact O-N 3.31Å; G130-D133 PolarHBondContact O-N 2.87Å; D133-N136 PolarHBondContact O-N 3.44Å; D133-S137 WeakPolarHBondContact O-CB 3.42Å; D133-S137 PolarHBondContact O-N 3.32Å; D133-S137 PolarHBondContact O-OG 2.81Å
134L98.6Very high98.1Very high0 Ų045.4 Ų45.40%025%0.25CC..Hα-helixtrans-62.1-46.4173.3-71.7178.7000112.3P92 S97 I100 I114 G130 R132 N136 S137 G138 V139 I141P92-L134 HydrophobicContact CG-CD1 4.39Å; S97-L134 WeakPolarHBondContact O-CD2 3.29Å; I100-L134 HydrophobicContact CB-CD2 3.85Å; I100-L134 HydrophobicContact CD1-CD1 4.29Å; I100-L134 HydrophobicContact CG2-CD2 3.58Å; I114-L134 HydrophobicContact CD1-CD1 4.47Å; G130-L134 WeakPolarHBondContact O-CG 3.27Å; G130-L134 PolarHBondContact O-N 2.86Å; R132-L134 VanDerWaalsContact C-N 3.28Å; R132-L134 PolarHBondContact O-N 3.47Å; L134-N136 VanDerWaalsContact C-N 3.34Å; L134-N136 PolarHBondContact O-N 3.16Å; L134-S137 WeakPolarHBondContact CA-OG 3.4Å; L134-S137 PolarHBondContact O-N 2.94Å; L134-S137 PolarHBondContact O-OG 3.34Å; L134-G138 PolarHBondContact O-N 2.86Å; L134-V139 HydrophobicContact CB-CB 4.22Å; L134-V139 HydrophobicContact CB-CG2 4.46Å; L134-V139 HydrophobicContact CD2-CG2 4.38Å; L134-V139 VanDerWaalsContact O-CB 3.26Å; L134-V139 WeakPolarHBondContact O-CB 3.47Å; L134-V139 PolarHBondContact O-N 3.31Å; L134-I141 HydrophobicContact CB-CD1 3.79Å; L134-I141 HydrophobicContact CD1-CD1 3.91Å
135V98.4Very high98Very high42 Ų4246 Ų4626%0.25526%0.255SS..Hα-helixtrans-62.6-44.2177.8172.80000110.9L131 R132 S137 G138 V139 I141 I186L131-V135 WeakPolarHBondContact O-CG2 3.26Å; L131-V135 PolarHBondContact O-N 3.4Å; R132-V135 PolarHBondContact O-N 2.91Å; V135-S137 PolarHBondContact O-N 3.38Å; V135-G138 PolarHBondContact O-N 2.61Å; V135-V139 WeakPolarHBondContact CA-O 3.39Å; V135-I141 HydrophobicContact CG2-CB 4.3Å; V135-I141 HydrophobicContact CG2-CD1 4.07Å; V135-I141 HydrophobicContact CG2-CG1 4.06Å; V135-I186 HydrophobicContact CG1-CG2 4.4Å; V135-I186 HydrophobicContact CG2-CD1 4.3Å; V135-I186 HydrophobicContact CG2-CG1 4.26Å
136N97.9Very high97.8Very high129 Ų12940.9 Ų40.969%0.6924%0.24SC*.Hα-helixtrans-65.7-26.3177-68.1-22.9000112.8R132 D133 L134 G138R132-N136 WeakPolarHBondContact O-CB 3.44Å; R132-N136 PolarHBondContact O-N 3.21Å; R132-N136 PolarHBondContact O-ND2 3.27Å; D133-N136 PolarHBondContact O-N 3.44Å; L134-N136 VanDerWaalsContact C-N 3.34Å; L134-N136 PolarHBondContact O-N 3.16Å; N136-G138 PolarHBondContact O-N 3.49Å
137S96.8Very high97.6Very high54 Ų5439.7 Ų39.738%0.37824%0.242SC..THydrogen-bonded Turntrans-84.18.117371.70000113.7D133 L134 V135D133-S137 WeakPolarHBondContact O-CB 3.42Å; D133-S137 PolarHBondContact O-N 3.32Å; D133-S137 PolarHBondContact O-OG 2.81Å; L134-S137 WeakPolarHBondContact CA-OG 3.4Å; L134-S137 PolarHBondContact O-N 2.94Å; L134-S137 PolarHBondContact O-OG 3.34Å; V135-S137 PolarHBondContact O-N 3.38Å
138G97Very high97.5Very high64 Ų6440.7 Ų40.766%0.6625%0.246SC*.THydrogen-bonded Turntrans91.710.4175.300000115.3L134 V135 N136L134-G138 PolarHBondContact O-N 2.86Å; V135-G138 PolarHBondContact O-N 2.61Å; N136-G138 PolarHBondContact O-N 3.49Å
139V98.5Very high97.4Very high3 Ų340 Ų402%0.01824%0.244CC..  trans-83.1125.9174.1-176.90000109.6L104 L112 I114 L134 V135 I141L104-V139 HydrophobicContact CD1-CG2 3.35Å; L112-V139 HydrophobicContact CB-CG1 4.39Å; L112-V139 HydrophobicContact CD2-CG1 4.18Å; L112-V139 HydrophobicContact CD2-CG2 4.45Å; L112-V139 HydrophobicContact CG-CG1 4.09Å; I114-V139 HydrophobicContact CD1-CG1 3.75Å; I114-V139 HydrophobicContact CG1-CG1 3.79Å; L134-V139 HydrophobicContact CB-CB 4.22Å; L134-V139 HydrophobicContact CB-CG2 4.46Å; L134-V139 HydrophobicContact CD2-CG2 4.38Å; L134-V139 VanDerWaalsContact O-CB 3.26Å; L134-V139 WeakPolarHBondContact O-CB 3.47Å; L134-V139 PolarHBondContact O-N 3.31Å; V135-V139 WeakPolarHBondContact CA-O 3.39Å; V139-I141 HydrophobicContact CG1-CG1 4.11Å
140T98.4Very high97.2Very high69 Ų6940.6 Ų40.642%0.42324%0.243SC..EExtended strand (participates in β ladder)trans-80124.4171.5-61.70000109.4V113 I114 Q142V113-T140 HydrophobicContact CG1-CG2 4.31Å; I114-T140 PolarHBondContact N-O 3.11Å; T140-Q142 HydrophobicContact CG2-CG 4.16Å
141I98.6Very high97Very high10 Ų1043.4 Ų43.45%0.05126%0.256CS..EExtended strand (participates in β ladder)trans-119.4126175.5-51.8-176.5000109.5I114 V116 L131 L134 V135 V139 L182I114-I141 HydrophobicContact CB-CG1 4.38Å; I114-I141 CarbonylContact O-C 3.54Å; I114-I141 VanDerWaalsContact O-CA 3.28Å; I114-I141 WeakPolarHBondContact O-CA 3.33Å; V116-I141 HydrophobicContact CG1-CG2 4.46Å; L131-I141 HydrophobicContact CD2-CD1 4.01Å; L134-I141 HydrophobicContact CB-CD1 3.79Å; L134-I141 HydrophobicContact CD1-CD1 3.91Å; V135-I141 HydrophobicContact CG2-CB 4.3Å; V135-I141 HydrophobicContact CG2-CD1 4.07Å; V135-I141 HydrophobicContact CG2-CG1 4.06Å; V139-I141 HydrophobicContact CG1-CG1 4.11Å; I141-L182 HydrophobicContact CG2-CD1 4.27Å; I141-L182 HydrophobicContact CG2-CD2 4.13Å
142Q98Very high96.9Very high94 Ų9443.2 Ų43.244%0.43926%0.255SS..EExtended strand (participates in β ladder)trans-137.2155178.9-68.2-176.5-2000111.3I114 Y115 V116 T140I114-Q142 PolarHBondContact O-N 2.89Å; Y115-Q142 CarbonylContact C-O 3.57Å; Y115-Q142 VanDerWaalsContact CA-O 3.29Å; Y115-Q142 WeakPolarHBondContact CA-O 3.4Å; Y115-Q142 HydrophobicContact CD1-CB 3.89Å; Y115-Q142 HydrophobicContact CE1-CB 4.01Å; Y115-Q142 VanDerWaalsContact CE1-OE1 3.25Å; V116-Q142 PolarHBondContact N-O 3.34Å; T140-Q142 HydrophobicContact CG2-CG 4.16Å
143I97.9Very high96.7Very high12 Ų1242.5 Ų42.56%0.06225%0.253CS..EExtended strand (participates in β ladder)trans-79.7137.2169.4-59.6-54.1000109.2V116 L119 T145 M175 A179 L182V116-I143 HydrophobicContact CG2-CD1 3.39Å; V116-I143 CarbonylContact O-C 3.48Å; V116-I143 VanDerWaalsContact O-CA 3.28Å; V116-I143 WeakPolarHBondContact O-CA 3.48Å; L119-I143 HydrophobicContact CD2-CD1 3.93Å; L119-I143 HydrophobicContact CG-CD1 4.19Å; I143-T145 PolarHBondContact O-N 3.46Å; I143-M175 HydrophobicContact CG2-CB 4.44Å; I143-A179 HydrophobicContact CB-CB 4.14Å; I143-A179 VanDerWaalsContact CG1-CA 3.46Å; I143-A179 HydrophobicContact CG1-CB 4.02Å; I143-L182 HydrophobicContact CD1-CB 4.17Å; I143-L182 HydrophobicContact CD1-CD2 3.86Å; I143-L182 HydrophobicContact CG1-CB 4.19Å; I143-L182 HydrophobicContact CG1-CD2 3.92Å
144M97.4Very high96.4Very high0 Ų046.2 Ų46.20%026%0.263CS..  trans-59.9128174-69.7179.371.800110.9Y27 F87 V116 A117 E148 Y149 C152 M175Y27-M144 HydrophobicContact CD1-CE 4.08Å; Y27-M144 HydrophobicContact CD1-SD 3.79Å; Y27-M144 HydrophobicContact CE1-CE 4.34Å; Y27-M144 HydrophobicContact CE1-SD 3.91Å; F87-M144 HydrophobicContact CB-CE 4.34Å; F87-M144 HydrophobicContact CB-SD 4.27Å; F87-M144 HydrophobicContact CD1-CE 4.19Å; V116-M144 PolarHBondContact O-N 3.39Å; A117-M144 HydrophobicContact CB-SD 4.04Å; M144-E148 HydrophobicContact CB-CB 4.05Å; M144-E148 HydrophobicContact CE-CB 4.04Å; M144-E148 HydrophobicContact CG-CB 4.05Å; M144-Y149 HydrophobicContact CB-CD2 4.11Å; M144-Y149 HydrophobicContact CB-CE2 3.66Å; M144-Y149 HydrophobicContact CE-CD1 4.43Å; M144-Y149 HydrophobicContact CE-CG 4.41Å; M144-C152 HydrophobicContact CE-CB 4.36Å; M144-C152 VanDerWaalsContact CE-SG 3.55Å; M144-M175 WeakPolarHBondContact O-CG 3.34Å
145T94.8Very high96.1Very high66 Ų6647.3 Ų47.341%0.40527%0.269SS..  trans-104.3178.3171.3770000110.5I143 S147 E148 Y149I143-T145 PolarHBondContact O-N 3.46Å; T145-S147 PolarHBondContact O-N 3.47Å; T145-S147 PolarHBondContact OG1-N 2.91Å; T145-E148 WeakPolarHBondContact CA-OE2 3.28Å; T145-E148 VanDerWaalsContact CB-OE2 3.31Å; T145-E148 WeakPolarHBondContact CB-OE2 3.38Å; T145-E148 PolarHBondContact N-OE2 2.99Å; T145-E148 PolarHBondContact O-N 3.43Å; T145-E148 PolarHBondContact OG1-OE2 2.83Å; T145-Y149 VanDerWaalsContact O-CD2 3.22Å; T145-Y149 WeakPolarHBondContact O-CD2 3.29Å; T145-Y149 PolarHBondContact O-N 3.36Å
146A93.9Very high95.9Very high48 Ų4845.5 Ų45.540%0.39726%0.258SS..Hα-helixtrans-48.1-35.1174.600000113.6Y150 W167A146-Y150 WeakPolarHBondContact O-CB 3.39Å; A146-Y150 PolarHBondContact O-N 3.36Å; A146-W167 HydrophobicContact CB-CH2 3.63Å; A146-W167 HydrophobicContact CB-CZ2 4.19Å; A146-W167 WeakPolarHBondContact O-CH2 3.31Å
147S94.1Very high95.7Very high72 Ų7239.4 Ų39.450%0.50323%0.225SC..Hα-helixtrans-60.8-51.2175.6166.50000111.6T145 Y150 H151T145-S147 PolarHBondContact O-N 3.47Å; T145-S147 PolarHBondContact OG1-N 2.91Å; S147-Y150 PolarHBondContact O-N 3.32Å; S147-H151 WeakPolarHBondContact O-CB 3.43Å; S147-H151 PolarHBondContact O-N 3.33Å
148E96.4Very high95.4Very high27 Ų2739.8 Ų39.813%0.12622%0.223CC..Hα-helixtrans-70.2-36.9-177.8-68.865.4-112.100111.3F87 Y115 M144 T145 H151 C152F87-E148 HydrophobicContact CD1-CB 4.36Å; F87-E148 HydrophobicContact CE1-CB 4.2Å; F87-E148 HydrophobicContact CE1-CG 4.15Å; Y115-E148 HydrophobicContact CD1-CG 3.56Å; Y115-E148 HydrophobicContact CD2-CG 4.44Å; Y115-E148 HydrophobicContact CE1-CG 3.72Å; Y115-E148 HydrophobicContact CG-CG 3.93Å; M144-E148 HydrophobicContact CB-CB 4.05Å; M144-E148 HydrophobicContact CE-CB 4.04Å; M144-E148 HydrophobicContact CG-CB 4.05Å; T145-E148 WeakPolarHBondContact CA-OE2 3.28Å; T145-E148 VanDerWaalsContact CB-OE2 3.31Å; T145-E148 WeakPolarHBondContact CB-OE2 3.38Å; T145-E148 PolarHBondContact N-OE2 2.99Å; T145-E148 PolarHBondContact O-N 3.43Å; T145-E148 PolarHBondContact OG1-OE2 2.83Å; E148-H151 PolarHBondContact O-N 3.12Å; E148-C152 WeakPolarHBondContact O-CB 3.47Å; E148-C152 PolarHBondContact O-N 2.78Å; E148-C152 PolarHBondContact O-SG 2.85Å
149Y95.8Very high94.9Very high0 Ų037.3 Ų37.30%019%0.194CC..Hα-helixtrans-61.1-46.6172.7-81.7-83.2000112F23 Y27 P29 A117 M144 T145 H151 C152 W153 W167 Y170 M175F23-Y149 HydrophobicContact CE1-CD1 4.12Å; F23-Y149 AromaticContact CZ-CD1 3.86Å; F23-Y149 HydrophobicContact CZ-CD1 3.86Å; Y27-Y149 VanDerWaalsContact O-CE1 3.29Å; Y27-Y149 WeakPolarHBondContact O-CE1 3.3Å; Y27-Y149 PolarHBondContact O-OH 3.28Å; P29-Y149 WeakPolarHBondContact CG-OH 3.42Å; A117-Y149 WeakPolarHBondContact CB-OH 3.24Å; M144-Y149 HydrophobicContact CB-CD2 4.11Å; M144-Y149 HydrophobicContact CB-CE2 3.66Å; M144-Y149 HydrophobicContact CE-CD1 4.43Å; M144-Y149 HydrophobicContact CE-CG 4.41Å; T145-Y149 VanDerWaalsContact O-CD2 3.22Å; T145-Y149 WeakPolarHBondContact O-CD2 3.29Å; T145-Y149 PolarHBondContact O-N 3.36Å; Y149-H151 VanDerWaalsContact C-N 3.35Å; Y149-C152 PolarHBondContact O-N 3.41Å; Y149-W153 WeakPolarHBondContact O-CB 3.34Å; Y149-W153 PolarHBondContact O-N 2.84Å; Y149-W167 VanDerWaalsContact CB-CZ3 3.42Å; Y149-W167 HydrophobicContact CG-CZ3 4.27Å; Y149-Y170 AromaticContact CD1-CD2 3.84Å; Y149-Y170 HydrophobicContact CD1-CD2 3.84Å; Y149-Y170 AromaticContact CD1-CE2 3.6Å; Y149-Y170 HydrophobicContact CD1-CE2 3.6Å; Y149-Y170 AromaticContact CE1-CD2 3.58Å; Y149-Y170 HydrophobicContact CE1-CD2 3.58Å; Y149-Y170 AromaticContact CE1-CE2 3.38Å; Y149-Y170 HydrophobicContact CE1-CE2 3.38Å; Y149-Y170 HydrophobicContact CG-CD2 4.39Å; Y149-M175 HydrophobicContact CD2-SD 3.97Å; Y149-M175 HydrophobicContact CE2-CG 4.17Å; Y149-M175 HydrophobicContact CE2-SD 3.74Å
150Y94.4Very high94.2Very high89 Ų8940.3 Ų40.335%0.34921%0.214SC..Hα-helixtrans-62.3-43.2176.2175.6-117.1000111.8A146 S147 C152 W153 R154 W167A146-Y150 WeakPolarHBondContact O-CB 3.39Å; A146-Y150 PolarHBondContact O-N 3.36Å; S147-Y150 PolarHBondContact O-N 3.32Å; Y150-C152 PolarHBondContact O-N 2.83Å; Y150-W153 PolarHBondContact O-N 3.25Å; Y150-R154 WeakPolarHBondContact O-CB 3.34Å; Y150-R154 PolarHBondContact O-N 2.94Å; Y150-W167 AromaticContact CD2-CD1 3.34Å; Y150-W167 AromaticContact CD2-CG 3.98Å; Y150-W167 HydrophobicContact CD2-CG 3.98Å; Y150-W167 AromaticContact CD2-NE1 3.48Å; Y150-W167 AromaticContact CG-NE1 3.99Å
151H94.8Very high93.5Very high59 Ų5940.9 Ų40.927%0.27322%0.218SC..Hα-helixtrans-59.4-46.1175.7-177.881.2000111.5E41 F87 S147 E148 Y149 R154 N155E41-H151 IonicContact OE1-CD2 3.49Å; E41-H151 IonicContact OE1-CE1 2.67Å; E41-H151 IonicContact OE1-NE2 3.67Å; E41-H151 PolarHBondContact OE1-NE2 2.85Å; E41-H151 IonicContact OE2-NE2 3.77Å; F87-H151 AromaticContact CZ-CD2 3.55Å; S147-H151 WeakPolarHBondContact O-CB 3.43Å; S147-H151 PolarHBondContact O-N 3.33Å; E148-H151 PolarHBondContact O-N 3.12Å; Y149-H151 VanDerWaalsContact C-N 3.35Å; H151-R154 PolarHBondContact O-N 3.12Å; H151-N155 PolarHBondContact CE1-ND2 2.88Å; H151-N155 PolarHBondContact ND1-ND2 2.74Å; H151-N155 VanDerWaalsContact ND1-ND2 3.17Å; H151-N155 WeakPolarHBondContact O-CB 3.45Å; H151-N155 PolarHBondContact O-N 3.21Å; H151-N155 VanDerWaalsContact O-N 3.11Å; H151-N155 PolarHBondContact O-ND2 3.48Å
152C95.4Very high92.6Very high0 Ų042.9 Ų42.90%024%0.242CC..Hα-helixtrans-62.6-46.3177.7-73.10000112F23 L39 F87 M144 E148 Y149 Y150 R154 N155 F156F23-C152 HydrophobicContact CE2-CB 3.59Å; F23-C152 HydrophobicContact CZ-CB 3.86Å; L39-C152 HydrophobicContact CD1-CB 3.94Å; F87-C152 WeakPolarHBondContact CD1-SG 3.5Å; F87-C152 WeakPolarHBondContact CG-SG 3.47Å; M144-C152 HydrophobicContact CE-CB 4.36Å; M144-C152 VanDerWaalsContact CE-SG 3.55Å; E148-C152 WeakPolarHBondContact O-CB 3.47Å; E148-C152 PolarHBondContact O-N 2.78Å; E148-C152 PolarHBondContact O-SG 2.85Å; Y149-C152 PolarHBondContact O-N 3.41Å; Y150-C152 PolarHBondContact O-N 2.83Å; C152-R154 PolarHBondContact O-N 3.34Å; C152-N155 PolarHBondContact O-N 3.16Å; C152-F156 WeakPolarHBondContact O-CA 3.46Å; C152-F156 WeakPolarHBondContact O-CB 3.33Å; C152-F156 PolarHBondContact O-N 2.94Å
153W94.5Very high91.8Very high13 Ų1342 Ų425%0.04924%0.238CC..Hα-helixtrans-54.7-52.6176.6-178.7-100.8000111.5P20 F23 Y149 Y150 N155 V157 Y159 E163 H166 W167 P168P20-W153 HydrophobicContact CB-CH2 3.82Å; P20-W153 HydrophobicContact CB-CZ3 4.05Å; P20-W153 HydrophobicContact CG-CH2 4.32Å; F23-W153 AromaticContact CD1-CE3 3.87Å; F23-W153 HydrophobicContact CD1-CE3 3.87Å; F23-W153 HydrophobicContact CD1-CZ3 4.25Å; F23-W153 HydrophobicContact CE1-CE3 4.26Å; Y149-W153 WeakPolarHBondContact O-CB 3.34Å; Y149-W153 PolarHBondContact O-N 2.84Å; Y150-W153 PolarHBondContact O-N 3.25Å; W153-N155 VanDerWaalsContact C-N 3.33Å; W153-N155 PolarHBondContact O-N 3.13Å; W153-V157 HydrophobicContact CD2-CB 4.2Å; W153-V157 HydrophobicContact CD2-CG1 4.25Å; W153-V157 HydrophobicContact CD2-CG2 4.43Å; W153-V157 HydrophobicContact CE3-CB 3.93Å; W153-V157 HydrophobicContact CE3-CG1 3.75Å; W153-V157 HydrophobicContact CE3-CG2 3.86Å; W153-V157 HydrophobicContact CH2-CG1 4.23Å; W153-V157 HydrophobicContact CZ3-CB 4.43Å; W153-V157 HydrophobicContact CZ3-CG1 3.73Å; W153-V157 VanDerWaalsContact O-CB 3.31Å; W153-V157 WeakPolarHBondContact O-CB 3.04Å; W153-V157 PolarHBondContact O-N 3.35Å; W153-Y159 AromaticContact CD1-CD1 3.95Å; W153-Y159 AromaticContact NE1-CD1 3.74Å; W153-Y159 AromaticContact NE1-CG 3.8Å; W153-E163 PolarHBondContact NE1-O 3.32Å; W153-E163 VanDerWaalsContact NE1-O 3.09Å; W153-H166 WeakPolarHBondContact CZ2-O 3.41Å; W153-W167 HydrophobicContact CB-CB 3.56Å; W153-W167 HydrophobicContact CD2-CB 3.67Å; W153-W167 HydrophobicContact CE3-CB 4.31Å; W153-W167 HydrophobicContact CG-CB 3.31Å; W153-P168 VanDerWaalsContact CE3-CD 3.48Å; W153-P168 HydrophobicContact CE3-CG 4.28Å; W153-P168 HydrophobicContact CZ3-CG 3.98Å
154R92.4Very high91Very high119 Ų11944.8 Ų44.845%0.44925%0.25SS..Hα-helixtrans-62.7-39.4-175.6-170.9177-177.9-140.3-4113R17 Y150 H151 C152 E164R17-R154 PolarHBondContact NH1-O 3.04Å; R17-R154 VanDerWaalsContact NH1-O 3.17Å; Y150-R154 WeakPolarHBondContact O-CB 3.34Å; Y150-R154 PolarHBondContact O-N 2.94Å; H151-R154 PolarHBondContact O-N 3.12Å; C152-R154 PolarHBondContact O-N 3.34Å; R154-E164 HydrophobicContact CG-CG 4.47Å; R154-E164 IonicContact CZ-OE1 3.82Å; R154-E164 IonicContact NE-OE1 3.33Å; R154-E164 PolarHBondContact NE-OE1 2.88Å; R154-E164 IonicContact NH2-OE1 3.2Å
155N92.5Very high90.3Very high24 Ų2447.8 Ų47.813%0.12828%0.275CS..Hα-helixtrans-100.5-22.3-168.7-67.4-71.7000114.8H151 C152 W153H151-N155 PolarHBondContact CE1-ND2 2.88Å; H151-N155 PolarHBondContact ND1-ND2 2.74Å; H151-N155 VanDerWaalsContact ND1-ND2 3.17Å; H151-N155 WeakPolarHBondContact O-CB 3.45Å; H151-N155 PolarHBondContact O-N 3.21Å; H151-N155 VanDerWaalsContact O-N 3.11Å; H151-N155 PolarHBondContact O-ND2 3.48Å; C152-N155 PolarHBondContact O-N 3.16Å; W153-N155 VanDerWaalsContact C-N 3.33Å; W153-N155 PolarHBondContact O-N 3.13Å
156F94.2Very high89.8Confident4 Ų450.5 Ų50.52%0.01828%0.283CS..Hα-helixtrans-123.8-14.7-173.7-63.7-90.9000114.2R17 I18 L39 Y40 E41 R52 S53 F87 C152R17-F156 CarbonylContact C-O 3.56Å; R17-F156 WeakPolarHBondContact CA-O 3.33Å; R17-F156 VanDerWaalsContact CB-O 3.26Å; R17-F156 WeakPolarHBondContact CB-O 3.31Å; I18-F156 PolarHBondContact N-O 3.45Å; L39-F156 HydrophobicContact CB-CD1 3.78Å; L39-F156 HydrophobicContact CB-CD2 4.21Å; L39-F156 HydrophobicContact CB-CE1 3.8Å; L39-F156 HydrophobicContact CB-CE2 4.22Å; L39-F156 HydrophobicContact CB-CG 3.96Å; L39-F156 HydrophobicContact CB-CZ 3.99Å; L39-F156 HydrophobicContact CD1-CB 3.75Å; L39-F156 HydrophobicContact CD1-CD1 4.45Å; L39-F156 HydrophobicContact CD1-CD2 4.12Å; L39-F156 HydrophobicContact CD1-CG 3.87Å; L39-F156 HydrophobicContact CD2-CB 3.87Å; L39-F156 HydrophobicContact CD2-CD1 3.84Å; L39-F156 HydrophobicContact CD2-CG 4Å; L39-F156 HydrophobicContact CG-CB 4.26Å; L39-F156 HydrophobicContact CG-CD1 4.21Å; L39-F156 HydrophobicContact CG-CG 4.13Å; Y40-F156 WeakPolarHBondContact O-CE1 3.3Å; E41-F156 HydrophobicContact CG-CE2 4.07Å; E41-F156 HydrophobicContact CG-CZ 3.53Å; R52-F156 HydrophobicContact CB-CD1 4.44Å; R52-F156 HydrophobicContact CB-CE1 3.84Å; R52-F156 HydrophobicContact CB-CZ 4.28Å; R52-F156 HydrophobicContact CG-CE1 4.39Å; R52-F156 HydrophobicContact CG-CZ 4.34Å; S53-F156 WeakPolarHBondContact O-CE1 3.43Å; F87-F156 HydrophobicContact CD2-CE2 4.24Å; F87-F156 HydrophobicContact CD2-CZ 4.46Å; F87-F156 HydrophobicContact CE2-CE2 4.2Å; C152-F156 WeakPolarHBondContact O-CA 3.46Å; C152-F156 WeakPolarHBondContact O-CB 3.33Å; C152-F156 PolarHBondContact O-N 2.94Å
157V93.4Very high89.5Confident0 Ų050.1 Ų50.10%027%0.271CS..BIsolated β-bridgetrans-97.6139.6-178.2-176.70000110.8R17 I18 P20 F23 W153 Y159R17-V157 PolarHBondContact NH1-O 2.83Å; I18-V157 HydrophobicContact CD1-CG2 4.48Å; I18-V157 HydrophobicContact CG1-CG2 4.2Å; I18-V157 CarbonylContact O-C 3.59Å; I18-V157 WeakPolarHBondContact O-CA 3.49Å; P20-V157 HydrophobicContact CB-CG1 4.13Å; P20-V157 HydrophobicContact CG-CG1 3.82Å; F23-V157 HydrophobicContact CB-CG2 3.71Å; F23-V157 HydrophobicContact CD1-CG2 4.26Å; F23-V157 HydrophobicContact CD2-CG2 3.72Å; F23-V157 HydrophobicContact CE2-CG2 4.4Å; F23-V157 HydrophobicContact CG-CG2 3.62Å; W153-V157 HydrophobicContact CD2-CB 4.2Å; W153-V157 HydrophobicContact CD2-CG1 4.25Å; W153-V157 HydrophobicContact CD2-CG2 4.43Å; W153-V157 HydrophobicContact CE3-CB 3.93Å; W153-V157 HydrophobicContact CE3-CG1 3.75Å; W153-V157 HydrophobicContact CE3-CG2 3.86Å; W153-V157 HydrophobicContact CH2-CG1 4.23Å; W153-V157 HydrophobicContact CZ3-CB 4.43Å; W153-V157 HydrophobicContact CZ3-CG1 3.73Å; W153-V157 VanDerWaalsContact O-CB 3.31Å; W153-V157 WeakPolarHBondContact O-CB 3.04Å; W153-V157 PolarHBondContact O-N 3.35Å; V157-Y159 WeakPolarHBondContact O-CD1 2.84Å; V157-Y159 PolarHBondContact O-N 3.48Å; V157-Y159 VanDerWaalsContact O-N 3.15Å
158N91.6Very high89Confident62 Ų6247.8 Ų47.833%0.33226%0.255SS..  trans-83.366.3171.8-170.628.3000110R17 I18 E19 P20R17-N158 HydrophobicContact CB-CB 4.08Å; I18-N158 PolarHBondContact O-N 3.48Å; E19-N158 PolarHBondContact OE1-ND2 2.94Å; P20-N158 WeakPolarHBondContact CD-O 3.28Å; P20-N158 WeakPolarHBondContact CG-O 3.42Å
159Y86.1Confident88.6Confident12 Ų1256.1 Ų56.15%0.04729%0.285CS..PPolyproline II helixtrans-72.8146.7-179.255-98.2000111.7P7 W153 V157 E164P7-Y159 WeakPolarHBondContact CD-O 3.44Å; W153-Y159 AromaticContact CD1-CD1 3.95Å; W153-Y159 AromaticContact NE1-CD1 3.74Å; W153-Y159 AromaticContact NE1-CG 3.8Å; V157-Y159 WeakPolarHBondContact O-CD1 2.84Å; V157-Y159 PolarHBondContact O-N 3.48Å; V157-Y159 VanDerWaalsContact O-N 3.15Å; Y159-E164 HydrophobicContact CD2-CB 4.37Å; Y159-E164 HydrophobicContact CE2-CB 3.71Å; Y159-E164 HydrophobicContact CE2-CG 4.23Å
160P83.9Confident88.1Confident67 Ų6757 Ų5744%0.43529%0.288SS..PPolyproline II helixtrans-60.8155.3176.5-20.530.7000112.8G162 E163P160-G162 PolarHBondContact O-N 2.72Å; P160-E163 HydrophobicContact CB-CB 4.41Å; P160-E163 HydrophobicContact CB-CG 3.81Å; P160-E163 HydrophobicContact CG-CG 4.06Å; P160-E163 VanDerWaalsContact O-CB 3.31Å; P160-E163 WeakPolarHBondContact O-CB 3.47Å; P160-E163 PolarHBondContact O-N 2.91Å
161P82.5Confident87.8Confident80 Ų8055.6 Ų55.652%0.51929%0.29SS..THydrogen-bonded Turntrans-51.8133.2172.6-25.134.5000112.3E4 E163E4-P161 HydrophobicContact CB-CB 4.27Å; P161-E163 VanDerWaalsContact C-N 3.29Å; P161-E163 PolarHBondContact O-N 3.07Å
162G79.9Confident87.5Confident53 Ų5356.8 Ų56.855%0.54630%0.303SS..THydrogen-bonded Turntrans84.1-7-17700000115.4P160P160-G162 PolarHBondContact O-N 2.72Å
163E82.6Confident87.2Confident75 Ų7559.6 Ų59.635%0.3532%0.318SS..  trans-100.516.3-176.5-57.7-72-176.100113.9W153 P160 P161 A165 H166W153-E163 PolarHBondContact NE1-O 3.32Å; W153-E163 VanDerWaalsContact NE1-O 3.09Å; P160-E163 HydrophobicContact CB-CB 4.41Å; P160-E163 HydrophobicContact CB-CG 3.81Å; P160-E163 HydrophobicContact CG-CG 4.06Å; P160-E163 VanDerWaalsContact O-CB 3.31Å; P160-E163 WeakPolarHBondContact O-CB 3.47Å; P160-E163 PolarHBondContact O-N 2.91Å; P161-E163 VanDerWaalsContact C-N 3.29Å; P161-E163 PolarHBondContact O-N 3.07Å; E163-A165 PolarHBondContact O-N 2.96Å; E163-H166 HydrophobicContact CB-CB 4.38Å; E163-H166 PolarHBondContact O-N 3.44Å; E163-H166 VanDerWaalsContact O-N 3.1Å; E163-H166 WeakPolarHBondContact OE2-CB 3.2Å; E163-H166 IonicContact OE2-CD2 3.94Å; E163-H166 IonicContact OE2-CE1 3.63Å; E163-H166 IonicContact OE2-CG 3.71Å; E163-H166 IonicContact OE2-ND1 3.57Å; E163-H166 PolarHBondContact OE2-ND1 3.1Å
164E80.4Confident87Confident71 Ų7161.5 Ų61.533%0.33233%0.325SS..THydrogen-bonded Turntrans-58.7-35.6179.8-176.2176.2-171.600112R154 Y159R154-E164 HydrophobicContact CG-CG 4.47Å; R154-E164 IonicContact CZ-OE1 3.82Å; R154-E164 IonicContact NE-OE1 3.33Å; R154-E164 PolarHBondContact NE-OE1 2.88Å; R154-E164 IonicContact NH2-OE1 3.2Å; Y159-E164 HydrophobicContact CD2-CB 4.37Å; Y159-E164 HydrophobicContact CE2-CB 3.71Å; Y159-E164 HydrophobicContact CE2-CG 4.23Å
165A82Confident87Confident63 Ų6356.6 Ų56.652%0.52131%0.307SS..THydrogen-bonded Turntrans-87.2-10.3179.700000114E163 W167E163-A165 PolarHBondContact O-N 2.96Å; A165-W167 VanDerWaalsContact C-N 3.3Å; A165-W167 PolarHBondContact O-N 3.45Å
166H84.9Confident87Confident123 Ų12358.7 Ų58.757%0.56932%0.317SS*.  trans-96.946.5-173.4-62.7109.6000112.4W153 E163W153-H166 WeakPolarHBondContact CZ2-O 3.41Å; E163-H166 HydrophobicContact CB-CB 4.38Å; E163-H166 PolarHBondContact O-N 3.44Å; E163-H166 VanDerWaalsContact O-N 3.1Å; E163-H166 WeakPolarHBondContact OE2-CB 3.2Å; E163-H166 IonicContact OE2-CD2 3.94Å; E163-H166 IonicContact OE2-CE1 3.63Å; E163-H166 IonicContact OE2-CG 3.71Å; E163-H166 IonicContact OE2-ND1 3.57Å; E163-H166 PolarHBondContact OE2-ND1 3.1Å
167W86.9Confident87Confident40 Ų4058.7 Ų58.715%0.15232%0.317CS..  trans-71.7151.2171.766.3-81.6000111A146 Y149 Y150 W153 A165 R169A146-W167 HydrophobicContact CB-CH2 3.63Å; A146-W167 HydrophobicContact CB-CZ2 4.19Å; A146-W167 WeakPolarHBondContact O-CH2 3.31Å; Y149-W167 VanDerWaalsContact CB-CZ3 3.42Å; Y149-W167 HydrophobicContact CG-CZ3 4.27Å; Y150-W167 AromaticContact CD2-CD1 3.34Å; Y150-W167 AromaticContact CD2-CG 3.98Å; Y150-W167 HydrophobicContact CD2-CG 3.98Å; Y150-W167 AromaticContact CD2-NE1 3.48Å; Y150-W167 AromaticContact CG-NE1 3.99Å; W153-W167 HydrophobicContact CB-CB 3.56Å; W153-W167 HydrophobicContact CD2-CB 3.67Å; W153-W167 HydrophobicContact CE3-CB 4.31Å; W153-W167 HydrophobicContact CG-CB 3.31Å; A165-W167 VanDerWaalsContact C-N 3.3Å; A165-W167 PolarHBondContact O-N 3.45Å; W167-R169 HydrophobicContact CZ2-CG 4.46Å; W167-R169 PolarHBondContact O-N 3.02Å
168P85Confident87.1Confident23 Ų2358.7 Ų58.715%0.14932%0.317CS..  trans-61.5116.1-176.6-22.531.4000112.6F23 D24 W153 Y170F23-P168 HydrophobicContact CD1-CG 4.13Å; F23-P168 HydrophobicContact CE1-CG 4.31Å; D24-P168 WeakPolarHBondContact OD1-CG 3.35Å; W153-P168 VanDerWaalsContact CE3-CD 3.48Å; W153-P168 HydrophobicContact CE3-CG 4.28Å; W153-P168 HydrophobicContact CZ3-CG 3.98Å; P168-Y170 HydrophobicContact CB-CE1 4.08Å; P168-Y170 HydrophobicContact CB-CE2 3.85Å; P168-Y170 WeakPolarHBondContact CB-OH 3.39Å; P168-Y170 PolarHBondContact O-N 3.41Å
169R86.5Confident87.3Confident201 Ų20157 Ų5776%0.75831%0.312SS*.  trans-89.895.8178.7-65.3-172.9-175.7175.83110.9W167W167-R169 HydrophobicContact CZ2-CG 4.46Å; W167-R169 PolarHBondContact O-N 3.02Å
170Y86Confident87.7Confident19 Ų1956.5 Ų56.58%0.07531%0.31CS..  trans-78.5145173.3-53.7-65.4000111.4D24 D28 P29 Y149 P168 M175D24-Y170 PolarHBondContact OD1-OH 3.25Å; D28-Y170 HydrophobicContact CB-CD1 4.33Å; D28-Y170 HydrophobicContact CB-CE1 3.59Å; D28-Y170 VanDerWaalsContact CG-CE1 3.43Å; P29-Y170 VanDerWaalsContact CD-CG 3.49Å; P29-Y170 HydrophobicContact CG-CD2 4.39Å; P29-Y170 HydrophobicContact CG-CG 4.19Å; Y149-Y170 AromaticContact CD1-CD2 3.84Å; Y149-Y170 HydrophobicContact CD1-CD2 3.84Å; Y149-Y170 AromaticContact CD1-CE2 3.6Å; Y149-Y170 HydrophobicContact CD1-CE2 3.6Å; Y149-Y170 AromaticContact CE1-CD2 3.58Å; Y149-Y170 HydrophobicContact CE1-CD2 3.58Å; Y149-Y170 AromaticContact CE1-CE2 3.38Å; Y149-Y170 HydrophobicContact CE1-CE2 3.38Å; Y149-Y170 HydrophobicContact CG-CD2 4.39Å; P168-Y170 HydrophobicContact CB-CE1 4.08Å; P168-Y170 HydrophobicContact CB-CE2 3.85Å; P168-Y170 WeakPolarHBondContact CB-OH 3.39Å; P168-Y170 PolarHBondContact O-N 3.41Å; Y170-M175 WeakPolarHBondContact O-CE 3.41Å
171P87.6Confident88.4Confident60 Ų6053.3 Ų53.339%0.3929%0.289SS..  trans-54.8128173.9-27.235.3000111.9L173 W174P171-L173 PolarHBondContact O-N 2.65Å; P171-L173 VanDerWaalsContact O-N 3.09Å; P171-W174 PolarHBondContact O-N 2.68Å
172P88.7Confident89.1Confident84 Ų8449.7 Ų49.755%0.54527%0.266SS..Hα-helixtrans-53-32.5-179.7-30.536.9000114.5W174 M175 M176P172-W174 VanDerWaalsContact C-N 3.25Å; P172-W174 PolarHBondContact O-N 3.22Å; P172-M175 PolarHBondContact O-N 3.36Å; P172-M176 HydrophobicContact CB-CE 4.2Å; P172-M176 HydrophobicContact CB-SD 4.03Å; P172-M176 WeakPolarHBondContact O-CG 3.17Å; P172-M176 PolarHBondContact O-N 3.42Å
173L90.3Very high89.9Confident58 Ų5850.4 Ų50.430%0.30425%0.254SS..Hα-helixtrans-51.2-42-178.2-179.561.8000112.9P171 M176 L177 T226 L228P171-L173 PolarHBondContact O-N 2.65Å; P171-L173 VanDerWaalsContact O-N 3.09Å; L173-M176 PolarHBondContact O-N 3.1Å; L173-L177 HydrophobicContact CD1-CD1 4.42Å; L173-L177 HydrophobicContact CD1-CG 4.3Å; L173-L177 HydrophobicContact CG-CD1 4.28Å; L173-L177 WeakPolarHBondContact O-CG 3.49Å; L173-L177 PolarHBondContact O-N 3.17Å; L173-T226 WeakPolarHBondContact CD1-O 3.46Å; L173-L228 HydrophobicContact CD1-CD1 3.97Å; L173-L228 HydrophobicContact CD1-CD2 4.3Å; L173-L228 HydrophobicContact CD1-CG 3.95Å
174W89.4Confident90.6Very high54 Ų5446.8 Ų46.821%0.20524%0.238CC..Hα-helixtrans-67.9-44.4-177.5-56.7128.2000112.4P29 R30 P171 P172 M176 L177 Y178 F206P29-W174 HydrophobicContact CB-CB 3.62Å; P29-W174 HydrophobicContact CB-CG 4.37Å; P29-W174 HydrophobicContact CG-CB 4.33Å; R30-W174 HydrophobicContact CG-CD2 4.47Å; R30-W174 HydrophobicContact CG-CG 4.24Å; P171-W174 PolarHBondContact O-N 2.68Å; P172-W174 VanDerWaalsContact C-N 3.25Å; P172-W174 PolarHBondContact O-N 3.22Å; W174-M176 VanDerWaalsContact C-N 3.28Å; W174-M176 PolarHBondContact O-N 2.93Å; W174-L177 HydrophobicContact CE3-CD1 3.86Å; W174-L177 HydrophobicContact CZ3-CD1 3.87Å; W174-L177 PolarHBondContact O-N 3.23Å; W174-Y178 WeakPolarHBondContact O-CD2 3.4Å; W174-Y178 PolarHBondContact O-N 2.96Å; W174-Y178 VanDerWaalsContact O-N 3.12Å; W174-F206 HydrophobicContact CD2-CD2 4.2Å; W174-F206 AromaticContact CD2-CE2 3.9Å; W174-F206 HydrophobicContact CD2-CE2 3.9Å; W174-F206 HydrophobicContact CD2-CZ 4.2Å; W174-F206 HydrophobicContact CE3-CB 4.24Å; W174-F206 AromaticContact CE3-CD1 3.85Å; W174-F206 HydrophobicContact CE3-CD1 3.85Å; W174-F206 AromaticContact CE3-CD2 3.32Å; W174-F206 HydrophobicContact CE3-CD2 3.32Å; W174-F206 AromaticContact CE3-CE1 3.97Å; W174-F206 HydrophobicContact CE3-CE1 3.97Å; W174-F206 AromaticContact CE3-CE2 3.42Å; W174-F206 HydrophobicContact CE3-CE2 3.42Å; W174-F206 VanDerWaalsContact CE3-CE2 3.42Å; W174-F206 AromaticContact CE3-CG 3.54Å; W174-F206 HydrophobicContact CE3-CG 3.54Å; W174-F206 AromaticContact CE3-CZ 3.76Å; W174-F206 HydrophobicContact CE3-CZ 3.76Å; W174-F206 HydrophobicContact CH2-CB 4.42Å; W174-F206 AromaticContact CH2-CD2 3.47Å; W174-F206 HydrophobicContact CH2-CD2 3.47Å; W174-F206 VanDerWaalsContact CH2-CD2 3.47Å; W174-F206 AromaticContact CH2-CE2 3.97Å; W174-F206 HydrophobicContact CH2-CE2 3.97Å; W174-F206 HydrophobicContact CH2-CG 4.16Å; W174-F206 HydrophobicContact CZ2-CD2 4.27Å; W174-F206 HydrophobicContact CZ2-CE2 4.34Å; W174-F206 HydrophobicContact CZ3-CB 3.57Å; W174-F206 HydrophobicContact CZ3-CD1 4.04Å; W174-F206 AromaticContact CZ3-CD2 2.96Å; W174-F206 HydrophobicContact CZ3-CD2 2.96Å; W174-F206 AromaticContact CZ3-CE2 3.54Å; W174-F206 HydrophobicContact CZ3-CE2 3.54Å; W174-F206 AromaticContact CZ3-CG 3.26Å; W174-F206 HydrophobicContact CZ3-CG 3.26Å; W174-F206 HydrophobicContact CZ3-CZ 4.29Å
175M92.3Very high91.4Very high16 Ų1643.4 Ų43.48%0.07922%0.222CC..Hα-helixtrans-60.8-41.6175.3-65.7170.1-10600110.6P29 I143 M144 Y149 Y170 P172 Y178 A179P29-M175 HydrophobicContact CG-CG 4.41Å; I143-M175 HydrophobicContact CG2-CB 4.44Å; M144-M175 WeakPolarHBondContact O-CG 3.34Å; Y149-M175 HydrophobicContact CD2-SD 3.97Å; Y149-M175 HydrophobicContact CE2-CG 4.17Å; Y149-M175 HydrophobicContact CE2-SD 3.74Å; Y170-M175 WeakPolarHBondContact O-CE 3.41Å; P172-M175 PolarHBondContact O-N 3.36Å; M175-Y178 PolarHBondContact O-N 2.82Å; M175-A179 VanDerWaalsContact O-CB 3.3Å; M175-A179 WeakPolarHBondContact O-CB 3.38Å; M175-A179 PolarHBondContact O-N 3.48Å
176M92.3Very high92.2Very high67 Ų6743.3 Ų43.333%0.3321%0.212SC..Hα-helixtrans-66.6-37.4178.9-70.2159.516200112.9P172 L173 W174 A179 L180 A225 T226P172-M176 HydrophobicContact CB-CE 4.2Å; P172-M176 HydrophobicContact CB-SD 4.03Å; P172-M176 WeakPolarHBondContact O-CG 3.17Å; P172-M176 PolarHBondContact O-N 3.42Å; L173-M176 PolarHBondContact O-N 3.1Å; W174-M176 VanDerWaalsContact C-N 3.28Å; W174-M176 PolarHBondContact O-N 2.93Å; M176-A179 PolarHBondContact O-N 2.84Å; M176-L180 WeakPolarHBondContact O-CB 3.26Å; M176-L180 PolarHBondContact O-N 2.75Å; M176-A225 HydrophobicContact CE-CB 4.43Å; M176-A225 WeakPolarHBondContact CE-O 3.44Å; M176-T226 HydrophobicContact CB-CG2 4.4Å
177L94.2Very high92.7Very high5 Ų541 Ų413%0.02620%0.203CC..Hα-helixtrans-65.8-44.1175.3-72.8176.8000111.9L173 W174 A179 L180 E181 L193 F206 L208 L228L173-L177 HydrophobicContact CD1-CD1 4.42Å; L173-L177 HydrophobicContact CD1-CG 4.3Å; L173-L177 HydrophobicContact CG-CD1 4.28Å; L173-L177 WeakPolarHBondContact O-CG 3.49Å; L173-L177 PolarHBondContact O-N 3.17Å; W174-L177 HydrophobicContact CE3-CD1 3.86Å; W174-L177 HydrophobicContact CZ3-CD1 3.87Å; W174-L177 PolarHBondContact O-N 3.23Å; L177-A179 VanDerWaalsContact C-N 3.29Å; L177-A179 PolarHBondContact O-N 2.98Å; L177-L180 PolarHBondContact O-N 3.13Å; L177-E181 PolarHBondContact O-N 3.19Å; L177-L193 HydrophobicContact CB-CD1 4.14Å; L177-L193 HydrophobicContact CB-CD2 4.13Å; L177-L193 HydrophobicContact CD1-CD1 4.27Å; L177-L193 HydrophobicContact CD2-CD1 4.27Å; L177-L193 HydrophobicContact CG-CD1 4.48Å; L177-F206 HydrophobicContact CD1-CB 3.8Å; L177-F206 HydrophobicContact CD1-CD1 4.15Å; L177-F206 HydrophobicContact CD1-CG 4.19Å; L177-L208 HydrophobicContact CD2-CD1 4.19Å; L177-L208 HydrophobicContact CD2-CD2 4.48Å; L177-L228 HydrophobicContact CD2-CD1 3.95Å
178Y95.8Very high93.2Very high0 Ų042.9 Ų42.90%022%0.223CC..Hα-helixtrans-63.4-38.1172.3-75.4-63.9000111.6P29 R118 L119 W174 M175 E181 L182 L193 I195 F206P29-Y178 HydrophobicContact CB-CE2 4.2Å; P29-Y178 PolarHBondContact O-OH 3.09Å; R118-Y178 HydrophobicContact CB-CE1 4.06Å; R118-Y178 HydrophobicContact CB-CE2 4.21Å; R118-Y178 HydrophobicContact CG-CE2 3.81Å; L119-Y178 HydrophobicContact CB-CD1 4.06Å; L119-Y178 HydrophobicContact CB-CE1 4.36Å; L119-Y178 HydrophobicContact CD1-CD1 4.22Å; L119-Y178 HydrophobicContact CG-CD1 3.92Å; W174-Y178 WeakPolarHBondContact O-CD2 3.4Å; W174-Y178 PolarHBondContact O-N 2.96Å; W174-Y178 VanDerWaalsContact O-N 3.12Å; M175-Y178 PolarHBondContact O-N 2.82Å; Y178-E181 PolarHBondContact O-N 2.86Å; Y178-L182 WeakPolarHBondContact O-CB 3.49Å; Y178-L182 PolarHBondContact O-N 2.81Å; Y178-L193 HydrophobicContact CD1-CD2 4.41Å; Y178-I195 HydrophobicContact CD1-CD1 4.38Å; Y178-I195 HydrophobicContact CE1-CD1 3.42Å; Y178-I195 VanDerWaalsContact CE1-CD1 3.42Å; Y178-F206 AromaticContact CE2-CE1 3.88Å; Y178-F206 HydrophobicContact CE2-CE1 3.88Å; Y178-F206 HydrophobicContact CE2-CZ 4.3Å; Y178-F206 AromaticContact CZ-CE1 3.83Å
179A95.7Very high93.8Very high26 Ų2642.7 Ų42.722%0.21522%0.22CC..Hα-helixtrans-65.5-44.4-179.800000110.8I143 M175 M176 L177 E181 L182 H183I143-A179 HydrophobicContact CB-CB 4.14Å; I143-A179 VanDerWaalsContact CG1-CA 3.46Å; I143-A179 HydrophobicContact CG1-CB 4.02Å; M175-A179 VanDerWaalsContact O-CB 3.3Å; M175-A179 WeakPolarHBondContact O-CB 3.38Å; M175-A179 PolarHBondContact O-N 3.48Å; M176-A179 PolarHBondContact O-N 2.84Å; L177-A179 VanDerWaalsContact C-N 3.29Å; L177-A179 PolarHBondContact O-N 2.98Å; A179-E181 VanDerWaalsContact C-N 3.34Å; A179-E181 PolarHBondContact O-N 2.81Å; A179-L182 PolarHBondContact O-N 3.3Å; A179-H183 PolarHBondContact O-N 2.95Å; A179-H183 PolarHBondContact O-ND1 2.9Å
180L95.8Very high94.3Very high1 Ų135.3 Ų35.31%0.00520%0.199CC..Hα-helixtrans-58.9-46.3174.5179.565000111.3M176 L177 L182 H183 C184 L208 L210 I218 I222 L223 T226M176-L180 WeakPolarHBondContact O-CB 3.26Å; M176-L180 PolarHBondContact O-N 2.75Å; L177-L180 PolarHBondContact O-N 3.13Å; L180-L182 PolarHBondContact O-N 2.98Å; L180-H183 WeakPolarHBondContact O-CB 3.13Å; L180-H183 PolarHBondContact O-N 2.72Å; L180-C184 PolarHBondContact O-N 3.34Å; L180-C184 PolarHBondContact O-SG 3.17Å; L180-C184 VanDerWaalsContact O-SG 3.35Å; L180-L208 HydrophobicContact CD2-CD1 3.62Å; L180-L208 HydrophobicContact CD2-CD2 4.36Å; L180-L210 HydrophobicContact CD2-CD2 4.34Å; L180-I218 HydrophobicContact CD1-CD1 3.77Å; L180-I218 HydrophobicContact CD1-CG2 4.1Å; L180-I222 HydrophobicContact CD1-CG2 3.98Å; L180-L223 HydrophobicContact CD1-CD2 3.78Å; L180-T226 HydrophobicContact CB-CG2 4.32Å; L180-T226 HydrophobicContact CD2-CG2 3.99Å
181E97.4Very high94.8Very high0 Ų037 Ų370%021%0.211CC..Hα-helixtrans-64.1-39.4178.5-175.758.6-150.600112.4L119 H122 R128 L177 Y178 A179 H183 C184 I185 P191 C192 L193L119-E181 HydrophobicContact CD1-CB 3.76Å; L119-E181 HydrophobicContact CD1-CG 3.65Å; H122-E181 HydrophobicContact CB-CG 4.19Å; H122-E181 VanDerWaalsContact CD2-CG 3.49Å; H122-E181 WeakPolarHBondContact CD2-CG 3.49Å; H122-E181 IonicContact CD2-OE1 2.77Å; H122-E181 PolarHBondContact CD2-OE1 3.38Å; R128-E181 IonicContact CZ-OE1 3.22Å; R128-E181 IonicContact NH1-OE1 3.71Å; R128-E181 PolarHBondContact NH1-OE1 3.47Å; R128-E181 IonicContact NH2-OE1 2.96Å; L177-E181 PolarHBondContact O-N 3.19Å; Y178-E181 PolarHBondContact O-N 2.86Å; A179-E181 VanDerWaalsContact C-N 3.34Å; A179-E181 PolarHBondContact O-N 2.81Å; E181-H183 VanDerWaalsContact C-N 3.32Å; E181-H183 PolarHBondContact O-N 2.86Å; E181-C184 WeakPolarHBondContact O-CB 3.17Å; E181-C184 PolarHBondContact O-N 3.11Å; E181-C184 VanDerWaalsContact O-N 3.16Å; E181-I185 WeakPolarHBondContact O-CG1 3.38Å; E181-I185 PolarHBondContact O-N 2.92Å; E181-P191 WeakPolarHBondContact OE1-CA 3.3Å; E181-C192 PolarHBondContact OE2-N 2.73Å; E181-C192 PolarHBondContact OE2-SG 3.07Å; E181-L193 HydrophobicContact CB-CB 4.01Å; E181-L193 HydrophobicContact CB-CD2 4.24Å; E181-L193 HydrophobicContact CG-CB 4.12Å; E181-L193 WeakPolarHBondContact OE2-CB 3.21Å; E181-L193 PolarHBondContact OE2-N 3.04Å
182L97.6Very high95.2Very high5 Ų534.1 Ų34.13%0.02619%0.193CC..Hα-helixtrans-61.5-40.4174.3-179.861.6000111.5L119 I141 I143 Y178 A179 L180 C184 I185 I186L119-L182 HydrophobicContact CD1-CB 4.27Å; L119-L182 HydrophobicContact CD2-CB 4.4Å; L119-L182 HydrophobicContact CD2-CD1 4.18Å; I141-L182 HydrophobicContact CG2-CD1 4.27Å; I141-L182 HydrophobicContact CG2-CD2 4.13Å; I143-L182 HydrophobicContact CD1-CB 4.17Å; I143-L182 HydrophobicContact CD1-CD2 3.86Å; I143-L182 HydrophobicContact CG1-CB 4.19Å; I143-L182 HydrophobicContact CG1-CD2 3.92Å; Y178-L182 WeakPolarHBondContact O-CB 3.49Å; Y178-L182 PolarHBondContact O-N 2.81Å; A179-L182 PolarHBondContact O-N 3.3Å; L180-L182 PolarHBondContact O-N 2.98Å; L182-C184 VanDerWaalsContact C-N 3.34Å; L182-C184 PolarHBondContact O-N 2.86Å; L182-I185 WeakPolarHBondContact O-CB 3.34Å; L182-I185 PolarHBondContact O-N 3.08Å; L182-I185 VanDerWaalsContact O-N 3.15Å; L182-I186 HydrophobicContact CD1-CD1 4.15Å; L182-I186 HydrophobicContact CD1-CG1 4.34Å; L182-I186 HydrophobicContact CG-CD1 3.95Å; L182-I186 WeakPolarHBondContact O-CG1 3.44Å; L182-I186 PolarHBondContact O-N 2.77Å
183H96.2Very high95.5Very high67 Ų6730.3 Ų30.331%0.3117%0.168SC..Hα-helixtrans-62.6-41.6173.6-74.687.3000111.6A179 L180 E181 I185 I186 L187 I222A179-H183 PolarHBondContact O-N 2.95Å; A179-H183 PolarHBondContact O-ND1 2.9Å; L180-H183 WeakPolarHBondContact O-CB 3.13Å; L180-H183 PolarHBondContact O-N 2.72Å; E181-H183 VanDerWaalsContact C-N 3.32Å; E181-H183 PolarHBondContact O-N 2.86Å; H183-I185 VanDerWaalsContact C-N 3.27Å; H183-I185 PolarHBondContact O-N 3.21Å; H183-I186 PolarHBondContact O-N 3.43Å; H183-L187 WeakPolarHBondContact O-CB 3.44Å; H183-L187 VanDerWaalsContact O-CG 3.29Å; H183-L187 WeakPolarHBondContact O-CG 3.45Å; H183-L187 PolarHBondContact O-N 3.4Å; H183-I222 VanDerWaalsContact CD2-CD1 3.43Å; H183-I222 WeakPolarHBondContact CD2-CD1 3.12Å; H183-I222 WeakPolarHBondContact NE2-CD1 3.36Å
184C97.3Very high95.6Very high0 Ų034.4 Ų34.40%018%0.184CC..Hα-helixtrans-58.7-40.3173-640000111.8L180 E181 L182 S188 L189 C192 I218L180-C184 PolarHBondContact O-N 3.34Å; L180-C184 PolarHBondContact O-SG 3.17Å; L180-C184 VanDerWaalsContact O-SG 3.35Å; E181-C184 WeakPolarHBondContact O-CB 3.17Å; E181-C184 PolarHBondContact O-N 3.11Å; E181-C184 VanDerWaalsContact O-N 3.16Å; L182-C184 VanDerWaalsContact C-N 3.34Å; L182-C184 PolarHBondContact O-N 2.86Å; C184-S188 PolarHBondContact O-N 2.64Å; C184-L189 HydrophobicContact CB-CB 4.05Å; C184-L189 PolarHBondContact O-N 3.22Å; C184-C192 VanDerWaalsContact SG-SG 3.6Å; C184-I218 VanDerWaalsContact SG-CD1 3.52Å
185I98.3Very high95.7Very high0 Ų033.5 Ų33.50%018%0.182CC..Hα-helixtrans-61.7-51.3177.3-67.9170.1000111L119 H122 R128 L131 R132 E181 L182 H183 L187 S188L119-I185 HydrophobicContact CD1-CD1 3.98Å; H122-I185 HydrophobicContact CB-CD1 4.36Å; R128-I185 HydrophobicContact CB-CG2 4.21Å; R128-I185 HydrophobicContact CG-CD1 4.42Å; R128-I185 HydrophobicContact CG-CG1 4.07Å; R128-I185 VanDerWaalsContact CZ-CG1 3.44Å; R128-I185 WeakPolarHBondContact O-CG2 3.48Å; L131-I185 HydrophobicContact CB-CG2 3.93Å; L131-I185 HydrophobicContact CD1-CD1 3.98Å; L131-I185 HydrophobicContact CD1-CG2 4.25Å; R132-I185 VanDerWaalsContact CD-O 3.23Å; R132-I185 WeakPolarHBondContact CD-O 3.5Å; R132-I185 HydrophobicContact CG-CG2 4.37Å; R132-I185 WeakPolarHBondContact CG-O 3.39Å; R132-I185 PolarHBondContact NH1-O 2.93Å; R132-I185 VanDerWaalsContact NH1-O 3.12Å; E181-I185 WeakPolarHBondContact O-CG1 3.38Å; E181-I185 PolarHBondContact O-N 2.92Å; L182-I185 WeakPolarHBondContact O-CB 3.34Å; L182-I185 PolarHBondContact O-N 3.08Å; L182-I185 VanDerWaalsContact O-N 3.15Å; H183-I185 VanDerWaalsContact C-N 3.27Å; H183-I185 PolarHBondContact O-N 3.21Å; I185-L187 VanDerWaalsContact C-N 3.34Å; I185-L187 PolarHBondContact O-N 2.88Å; I185-S188 PolarHBondContact O-N 2.77Å; I185-S188 VanDerWaalsContact O-N 3.17Å
186I97.4Very high95.5Very high61 Ų6135.7 Ų35.731%0.31320%0.199SC..Hα-helixtrans-63.6-41.5-176.9-66.1169000110.6V135 L182 H183 S188V135-I186 HydrophobicContact CG1-CG2 4.4Å; V135-I186 HydrophobicContact CG2-CD1 4.3Å; V135-I186 HydrophobicContact CG2-CG1 4.26Å; L182-I186 HydrophobicContact CD1-CD1 4.15Å; L182-I186 HydrophobicContact CD1-CG1 4.34Å; L182-I186 HydrophobicContact CG-CD1 3.95Å; L182-I186 WeakPolarHBondContact O-CG1 3.44Å; L182-I186 PolarHBondContact O-N 2.77Å; H183-I186 PolarHBondContact O-N 3.43Å; I186-S188 PolarHBondContact O-N 3.12Å
187L96.5Very high95Very high73 Ų7336 Ų3638%0.38220%0.196SC..THydrogen-bonded Turntrans-79.65.5179-63.7172.9000113.9H183 I185 L189 T217 I218H183-L187 WeakPolarHBondContact O-CB 3.44Å; H183-L187 VanDerWaalsContact O-CG 3.29Å; H183-L187 WeakPolarHBondContact O-CG 3.45Å; H183-L187 PolarHBondContact O-N 3.4Å; I185-L187 VanDerWaalsContact C-N 3.34Å; I185-L187 PolarHBondContact O-N 2.88Å; L187-L189 HydrophobicContact CB-CD1 4.1Å; L187-L189 HydrophobicContact CB-CG 3.93Å; L187-L189 HydrophobicContact CD1-CD1 4.26Å; L187-L189 PolarHBondContact O-N 2.9Å; L187-T217 HydrophobicContact CD1-CG2 4.33Å; L187-I218 HydrophobicContact CD1-CG1 4.34Å
188S97.3Very high94.1Very high81 Ų8142 Ų4257%0.56622%0.219SC*.THydrogen-bonded Turntrans56.130.3-176.6-53.40000114.2R132 C184 I185 I186R132-S188 WeakPolarHBondContact CD-OG 3.23Å; C184-S188 PolarHBondContact O-N 2.64Å; I185-S188 PolarHBondContact O-N 2.77Å; I185-S188 VanDerWaalsContact O-N 3.17Å; I186-S188 PolarHBondContact O-N 3.12Å
189L97.3Very high92.6Very high19 Ų1951.3 Ų51.310%0.09925%0.254CS..PPolyproline II helixtrans-81.2160174.5-63.7177.6000110.8R128 C184 L187 T217 I218R128-L189 PolarHBondContact NH2-O 3.25Å; C184-L189 HydrophobicContact CB-CB 4.05Å; C184-L189 PolarHBondContact O-N 3.22Å; L187-L189 HydrophobicContact CB-CD1 4.1Å; L187-L189 HydrophobicContact CB-CG 3.93Å; L187-L189 HydrophobicContact CD1-CD1 4.26Å; L187-L189 PolarHBondContact O-N 2.9Å; L189-T217 HydrophobicContact CD1-CG2 4.39Å; L189-T217 HydrophobicContact CD2-CG2 4.31Å; L189-I218 HydrophobicContact CD1-CD1 3.94Å; L189-I218 HydrophobicContact CD1-CG1 3.58Å
190P97.3Very high90.9Very high46 Ų4657 Ų5730%0.29928%0.276SS..PPolyproline II helixtrans-61160169.324.9-32.3000111.6C192 H214P190-C192 PolarHBondContact O-N 2.96Å; P190-H214 PolarHBondContact O-NE2 3Å; P190-H214 VanDerWaalsContact O-NE2 3.13Å
191P97.1Very high89.1Confident53 Ų5361.8 Ų61.834%0.34430%0.302SS..PPolyproline II helixtrans-64.4134176.326.9-33.6000110.5T123 E181T123-P191 HydrophobicContact CG2-CB 4.08Å; T123-P191 HydrophobicContact CG2-CG 4.38Å; E181-P191 WeakPolarHBondContact OE1-CA 3.3Å
192C95.2Very high87.7Confident1 Ų167.2 Ų67.21%0.00733%0.327CS..  trans-103.6-22.5177.274.60000111.7E181 C184 P190 L208 H209 L210E181-C192 PolarHBondContact OE2-N 2.73Å; E181-C192 PolarHBondContact OE2-SG 3.07Å; C184-C192 VanDerWaalsContact SG-SG 3.6Å; P190-C192 PolarHBondContact O-N 2.96Å; C192-L208 HydrophobicContact CB-CD1 4.31Å; C192-L208 CarbonylContact O-C 3.51Å; C192-L208 WeakPolarHBondContact O-CA 3.5Å; C192-H209 WeakPolarHBondContact CA-O 3.45Å; C192-H209 PolarHBondContact O-N 3.12Å; C192-L210 HydrophobicContact CB-CD2 3.94Å
193L94.8Very high86.7Confident4 Ų471 Ų712%0.02135%0.347CS..EExtended strand (participates in β ladder)trans-102.8135.1-179.3-174.262.8000110.8H122 L177 Y178 E181 I195 F206H122-L193 PolarHBondContact NE2-O 3.3Å; L177-L193 HydrophobicContact CB-CD1 4.14Å; L177-L193 HydrophobicContact CB-CD2 4.13Å; L177-L193 HydrophobicContact CD1-CD1 4.27Å; L177-L193 HydrophobicContact CD2-CD1 4.27Å; L177-L193 HydrophobicContact CG-CD1 4.48Å; Y178-L193 HydrophobicContact CD1-CD2 4.41Å; E181-L193 HydrophobicContact CB-CB 4.01Å; E181-L193 HydrophobicContact CB-CD2 4.24Å; E181-L193 HydrophobicContact CG-CB 4.12Å; E181-L193 WeakPolarHBondContact OE2-CB 3.21Å; E181-L193 PolarHBondContact OE2-N 3.04Å; L193-I195 HydrophobicContact CD2-CD1 3.84Å; L193-I195 HydrophobicContact CD2-CG1 3.94Å; L193-I195 HydrophobicContact CG-CD1 4.36Å; L193-I195 HydrophobicContact CG-CG1 3.93Å; L193-F206 HydrophobicContact CD1-CB 4.18Å; L193-F206 HydrophobicContact CD1-CD1 4.18Å; L193-F206 HydrophobicContact CD2-CD1 4.29Å
194K93.3Very high86.2Confident144 Ų14468.8 Ų68.863%0.62634%0.338SS*.EExtended strand (participates in β ladder)trans-119.1124.7166.5-175.1171.7-176.91720109.1R207K194-R207 HydrophobicContact CB-CB 4.42Å; K194-R207 PolarHBondContact N-O 3.36Å; K194-R207 PolarHBondContact O-N 3.03Å
195I91.8Very high85.7Confident35 Ų3573.5 Ų73.518%0.17936%0.359CS..EExtended strand (participates in β ladder)trans-111.3129.1179.1-54.5173.1000107.8L32 Y178 L193 T204 F205 F206L32-I195 HydrophobicContact CD1-CG2 3.83Å; L32-I195 HydrophobicContact CD2-CG2 4.29Å; Y178-I195 HydrophobicContact CD1-CD1 4.38Å; Y178-I195 HydrophobicContact CE1-CD1 3.42Å; Y178-I195 VanDerWaalsContact CE1-CD1 3.42Å; L193-I195 HydrophobicContact CD2-CD1 3.84Å; L193-I195 HydrophobicContact CD2-CG1 3.94Å; L193-I195 HydrophobicContact CG-CD1 4.36Å; L193-I195 HydrophobicContact CG-CG1 3.93Å; I195-T204 HydrophobicContact CG2-CG2 3.55Å; I195-F205 WeakPolarHBondContact CA-O 3.48Å; I195-F206 HydrophobicContact CD1-CD1 4.15Å; I195-F206 HydrophobicContact CD1-CE1 3.87Å; I195-F206 HydrophobicContact CG1-CD1 3.82Å; I195-F206 HydrophobicContact CG1-CE1 4Å; I195-F206 HydrophobicContact CG2-CE1 4.4Å
196S86.9Confident85.4Confident61 Ų6175 Ų7543%0.42737%0.365SS..EExtended strand (participates in β ladder)trans-132.8146.517459.90000111F205S196-F205 PolarHBondContact N-O 3.48Å; S196-F205 PolarHBondContact O-N 3.35Å
197R81.9Confident85Confident74 Ų7480.8 Ų80.828%0.27938%0.383SS..EExtended strand (participates in β ladder)trans-108.1129.3177.2-169.9174.9174.7168.6-1.8109.8L32 H202L32-R197 HydrophobicContact CD1-CB 4.18Å; L32-R197 PolarHBondContact O-NH1 2.94Å; R197-H202 PolarHBondContact NH2-ND1 2.72Å; R197-H202 VanDerWaalsContact NH2-ND1 3.12Å
198R75.7Confident84.8Confident130 Ų13079.5 Ų79.549%0.49138%0.377SS..EExtended strand (participates in β ladder)trans-96.1110169.2-169.1174.4179.1174.6-1.4109.3Q200 N201 H202 L203 F205R198-Q200 VanDerWaalsContact C-N 3.26Å; R198-Q200 PolarHBondContact O-N 3.45Å; R198-N201 PolarHBondContact O-N 2.99Å; R198-H202 PolarHBondContact O-N 3.18Å; R198-L203 PolarHBondContact N-O 3.23Å; R198-F205 HydrophobicContact CB-CD2 4.37Å; R198-F205 HydrophobicContact CB-CE2 3.82Å
199W64.6Low84.6Confident196 Ų19680.7 Ų80.774%0.74237%0.373SS*.THydrogen-bonded Turntrans-57.7-33.9-175.6-74.294.7000114.1N201W199-N201 VanDerWaalsContact C-N 3.33Å; W199-N201 PolarHBondContact O-N 2.96Å
200Q59.9Low84.4Confident146 Ų14681.2 Ų81.268%0.68238%0.376SS*.THydrogen-bonded Turntrans-62.1-34.1-176.2-72.9171.5-25.200114.1R198R198-Q200 VanDerWaalsContact C-N 3.26Å; R198-Q200 PolarHBondContact O-N 3.45Å
201N57Low84.1Confident101 Ų10183 Ų8354%0.5438%0.38SS..THydrogen-bonded Turntrans-127.39.6-172.7-64.97.3000113.2R198 W199 L203R198-N201 PolarHBondContact O-N 2.99Å; W199-N201 VanDerWaalsContact C-N 3.33Å; W199-N201 PolarHBondContact O-N 2.96Å; N201-L203 HydrophobicContact CB-CB 4.49Å; N201-L203 HydrophobicContact CB-CD1 3.79Å; N201-L203 HydrophobicContact CB-CG 3.93Å; N201-L203 PolarHBondContact O-N 3.39Å
202H67.6Low83.9Confident114 Ų11486.4 Ų86.453%0.52840%0.395SS..THydrogen-bonded Turntrans53.719.2-172.5-65.9-111.4000114.3R197 R198R197-H202 PolarHBondContact NH2-ND1 2.72Å; R197-H202 VanDerWaalsContact NH2-ND1 3.12Å; R198-H202 PolarHBondContact O-N 3.18Å
203L78.3Confident83.8Confident86 Ų8688.1 Ų88.145%0.4541%0.407SS..EExtended strand (participates in β ladder)trans-80.1127.2-178.9-74.2167.8000110.6R198 N201 F205R198-L203 PolarHBondContact N-O 3.23Å; N201-L203 HydrophobicContact CB-CB 4.49Å; N201-L203 HydrophobicContact CB-CD1 3.79Å; N201-L203 HydrophobicContact CB-CG 3.93Å; N201-L203 PolarHBondContact O-N 3.39Å; L203-F205 HydrophobicContact CB-CE2 3.79Å; L203-F205 HydrophobicContact CB-CZ 4.11Å; L203-F205 HydrophobicContact CD1-CZ 4.37Å
204T84.9Confident83.7Confident20 Ų2088 Ų8812%0.12341%0.406CS..EExtended strand (participates in β ladder)trans-95.4122.3172.1-57.70000109.2R30 L32 I195 F206R30-T204 WeakPolarHBondContact O-CB 3.43Å; R30-T204 PolarHBondContact O-OG1 2.91Å; L32-T204 HydrophobicContact CD1-CG2 3.8Å; L32-T204 HydrophobicContact CD2-CG2 4.25Å; L32-T204 HydrophobicContact CG-CG2 4.03Å; I195-T204 HydrophobicContact CG2-CG2 3.55Å; T204-F206 HydrophobicContact CG2-CD2 4.06Å; T204-F206 HydrophobicContact CG2-CE2 3.42Å; T204-F206 VanDerWaalsContact CG2-CE2 3.42Å; T204-F206 HydrophobicContact CG2-CZ 3.77Å
205F87.3Confident83.6Confident98 Ų9884.6 Ų84.643%0.4339%0.39SS..EExtended strand (participates in β ladder)trans-103.4133.8177.6-66.7-87.2000109.9I195 S196 R198 L203I195-F205 WeakPolarHBondContact CA-O 3.48Å; S196-F205 PolarHBondContact N-O 3.48Å; S196-F205 PolarHBondContact O-N 3.35Å; R198-F205 HydrophobicContact CB-CD2 4.37Å; R198-F205 HydrophobicContact CB-CE2 3.82Å; L203-F205 HydrophobicContact CB-CE2 3.79Å; L203-F205 HydrophobicContact CB-CZ 4.11Å; L203-F205 HydrophobicContact CD1-CZ 4.37Å
206F90.5Very high83.5Confident33 Ų3390.4 Ų90.415%0.14542%0.416CS..EExtended strand (participates in β ladder)trans-115.8125.9176-62-108.7000107.8W174 L177 Y178 L193 I195 T204W174-F206 HydrophobicContact CD2-CD2 4.2Å; W174-F206 AromaticContact CD2-CE2 3.9Å; W174-F206 HydrophobicContact CD2-CE2 3.9Å; W174-F206 HydrophobicContact CD2-CZ 4.2Å; W174-F206 HydrophobicContact CE3-CB 4.24Å; W174-F206 AromaticContact CE3-CD1 3.85Å; W174-F206 HydrophobicContact CE3-CD1 3.85Å; W174-F206 AromaticContact CE3-CD2 3.32Å; W174-F206 HydrophobicContact CE3-CD2 3.32Å; W174-F206 AromaticContact CE3-CE1 3.97Å; W174-F206 HydrophobicContact CE3-CE1 3.97Å; W174-F206 AromaticContact CE3-CE2 3.42Å; W174-F206 HydrophobicContact CE3-CE2 3.42Å; W174-F206 VanDerWaalsContact CE3-CE2 3.42Å; W174-F206 AromaticContact CE3-CG 3.54Å; W174-F206 HydrophobicContact CE3-CG 3.54Å; W174-F206 AromaticContact CE3-CZ 3.76Å; W174-F206 HydrophobicContact CE3-CZ 3.76Å; W174-F206 HydrophobicContact CH2-CB 4.42Å; W174-F206 AromaticContact CH2-CD2 3.47Å; W174-F206 HydrophobicContact CH2-CD2 3.47Å; W174-F206 VanDerWaalsContact CH2-CD2 3.47Å; W174-F206 AromaticContact CH2-CE2 3.97Å; W174-F206 HydrophobicContact CH2-CE2 3.97Å; W174-F206 HydrophobicContact CH2-CG 4.16Å; W174-F206 HydrophobicContact CZ2-CD2 4.27Å; W174-F206 HydrophobicContact CZ2-CE2 4.34Å; W174-F206 HydrophobicContact CZ3-CB 3.57Å; W174-F206 HydrophobicContact CZ3-CD1 4.04Å; W174-F206 AromaticContact CZ3-CD2 2.96Å; W174-F206 HydrophobicContact CZ3-CD2 2.96Å; W174-F206 AromaticContact CZ3-CE2 3.54Å; W174-F206 HydrophobicContact CZ3-CE2 3.54Å; W174-F206 AromaticContact CZ3-CG 3.26Å; W174-F206 HydrophobicContact CZ3-CG 3.26Å; W174-F206 HydrophobicContact CZ3-CZ 4.29Å; L177-F206 HydrophobicContact CD1-CB 3.8Å; L177-F206 HydrophobicContact CD1-CD1 4.15Å; L177-F206 HydrophobicContact CD1-CG 4.19Å; Y178-F206 AromaticContact CE2-CE1 3.88Å; Y178-F206 HydrophobicContact CE2-CE1 3.88Å; Y178-F206 HydrophobicContact CE2-CZ 4.3Å; Y178-F206 AromaticContact CZ-CE1 3.83Å; L193-F206 HydrophobicContact CD1-CB 4.18Å; L193-F206 HydrophobicContact CD1-CD1 4.18Å; L193-F206 HydrophobicContact CD2-CD1 4.29Å; I195-F206 HydrophobicContact CD1-CD1 4.15Å; I195-F206 HydrophobicContact CD1-CE1 3.87Å; I195-F206 HydrophobicContact CG1-CD1 3.82Å; I195-F206 HydrophobicContact CG1-CE1 4Å; I195-F206 HydrophobicContact CG2-CE1 4.4Å; T204-F206 HydrophobicContact CG2-CD2 4.06Å; T204-F206 HydrophobicContact CG2-CE2 3.42Å; T204-F206 VanDerWaalsContact CG2-CE2 3.42Å; T204-F206 HydrophobicContact CG2-CZ 3.77Å
207R90.9Very high83.8Confident181 Ų18191 Ų9168%0.68342%0.417SS*.EExtended strand (participates in β ladder)trans-121122176.7-176.9176.9-178.4172.9-0.4108.8K194K194-R207 HydrophobicContact CB-CB 4.42Å; K194-R207 PolarHBondContact N-O 3.36Å; K194-R207 PolarHBondContact O-N 3.03Å
208L92.3Very high84.2Confident47 Ų4787.6 Ų87.625%0.24641%0.405CS..EExtended strand (participates in β ladder)trans-90.5137.1174.9-169.967.2000110L177 L180 C192 L210 L228L177-L208 HydrophobicContact CD2-CD1 4.19Å; L177-L208 HydrophobicContact CD2-CD2 4.48Å; L180-L208 HydrophobicContact CD2-CD1 3.62Å; L180-L208 HydrophobicContact CD2-CD2 4.36Å; C192-L208 HydrophobicContact CB-CD1 4.31Å; C192-L208 CarbonylContact O-C 3.51Å; C192-L208 WeakPolarHBondContact O-CA 3.5Å; L208-L210 HydrophobicContact CD1-CG 4.36Å; L208-L210 HydrophobicContact CD2-CD1 3.84Å; L208-L210 HydrophobicContact CD2-CG 4.19Å; L208-L210 HydrophobicContact CG-CD1 4.28Å; L208-L210 HydrophobicContact CG-CG 4.07Å; L208-L228 HydrophobicContact CD2-CB 4.46Å; L208-L228 HydrophobicContact CD2-CD1 4.14Å
209H92.5Very high84.7Confident105 Ų10583.7 Ų83.749%0.48640%0.396SS..  trans-138.493178.3-179.6-85.3000109.5C192C192-H209 WeakPolarHBondContact CA-O 3.45Å; C192-H209 PolarHBondContact O-N 3.12Å
210L91.7Very high85.7Confident31 Ų3177 Ų7716%0.16238%0.378CS..  trans-95.2121.9178.4-68.4168.6000110.8L180 C192 L208 H214 Y215 L223 I229L180-L210 HydrophobicContact CD2-CD2 4.34Å; C192-L210 HydrophobicContact CB-CD2 3.94Å; L208-L210 HydrophobicContact CD1-CG 4.36Å; L208-L210 HydrophobicContact CD2-CD1 3.84Å; L208-L210 HydrophobicContact CD2-CG 4.19Å; L208-L210 HydrophobicContact CG-CD1 4.28Å; L208-L210 HydrophobicContact CG-CG 4.07Å; L210-H214 HydrophobicContact CD2-CB 3.62Å; L210-Y215 HydrophobicContact CB-CD2 4.42Å; L210-Y215 HydrophobicContact CB-CE2 3.59Å; L210-Y215 HydrophobicContact CD1-CE1 4.18Å; L210-L223 HydrophobicContact CD1-CD2 4.09Å; L210-L223 HydrophobicContact CD2-CD2 4.17Å; L210-I229 HydrophobicContact CD1-CD1 3.38Å; L210-I229 HydrophobicContact CD1-CG1 4.02Å
211Q92.4Very high86.8Confident82 Ų8276.5 Ų76.538%0.38338%0.375SS..  trans-92.8165.5169.2-54.817411.200111.3C213 H214 Y215Q211-C213 PolarHBondContact O-N 3.19Å; Q211-C213 VanDerWaalsContact O-N 3.15Å; Q211-H214 PolarHBondContact N-ND1 3.28Å; Q211-H214 WeakPolarHBondContact O-CB 3.27Å; Q211-H214 PolarHBondContact O-N 3.15Å; Q211-H214 PolarHBondContact O-ND1 2.86Å; Q211-Y215 WeakPolarHBondContact O-CD2 3.44Å
212N92.1Very high88.1Confident126 Ų12672.7 Ų72.767%0.67436%0.355SS*.Hα-helixtrans-51.5-39.2179.1-67.5-10.9000113.7H214 Y215 Q216N212-H214 PolarHBondContact O-N 3.28Å; N212-Y215 PolarHBondContact O-N 3.11Å; N212-Q216 WeakPolarHBondContact O-CG 3.42Å; N212-Q216 PolarHBondContact O-N 3.34Å; N212-Q216 VanDerWaalsContact O-N 3.09Å
213C92.9Very high88.8Confident37 Ų3767.3 Ų67.325%0.2533%0.33CS..Hα-helixtrans-60.5-30.3177.959.60000113.4Q211 T217Q211-C213 PolarHBondContact O-N 3.19Å; Q211-C213 VanDerWaalsContact O-N 3.15Å; C213-T217 WeakPolarHBondContact O-CB 3.31Å; C213-T217 PolarHBondContact O-N 2.99Å; C213-T217 VanDerWaalsContact O-N 3.11Å; C213-T217 PolarHBondContact O-OG1 2.87Å; C213-T217 VanDerWaalsContact O-OG1 3.08Å
214H94.1Very high89.1Confident0 Ų066.5 Ų66.50%033%0.326CS..Hα-helixtrans-72.2-42.5176.9-54.195.9000111.3P190 L210 Q211 N212 Q216 I218P190-H214 PolarHBondContact O-NE2 3Å; P190-H214 VanDerWaalsContact O-NE2 3.13Å; L210-H214 HydrophobicContact CD2-CB 3.62Å; Q211-H214 PolarHBondContact N-ND1 3.28Å; Q211-H214 WeakPolarHBondContact O-CB 3.27Å; Q211-H214 PolarHBondContact O-N 3.15Å; Q211-H214 PolarHBondContact O-ND1 2.86Å; N212-H214 PolarHBondContact O-N 3.28Å; H214-Q216 VanDerWaalsContact C-N 3.26Å; H214-Q216 PolarHBondContact O-N 3.06Å; H214-I218 HydrophobicContact CB-CD1 3.85Å; H214-I218 HydrophobicContact CB-CG1 4.46Å; H214-I218 VanDerWaalsContact O-CB 3.23Å; H214-I218 WeakPolarHBondContact O-CB 3.4Å; H214-I218 WeakPolarHBondContact O-CG1 3.36Å; H214-I218 PolarHBondContact O-N 2.91Å
215Y90Very high88.9Confident74 Ų7467.8 Ų67.829%0.2934%0.339SS..Hα-helixtrans-65.9-30.4177.9-67.6-74.5000112.6L210 Q211 N212 L223 I229 V233L210-Y215 HydrophobicContact CB-CD2 4.42Å; L210-Y215 HydrophobicContact CB-CE2 3.59Å; L210-Y215 HydrophobicContact CD1-CE1 4.18Å; Q211-Y215 WeakPolarHBondContact O-CD2 3.44Å; N212-Y215 PolarHBondContact O-N 3.11Å; Y215-L223 HydrophobicContact CD1-CD1 4.26Å; Y215-I229 HydrophobicContact CE1-CD1 4.43Å; Y215-I229 HydrophobicContact CE1-CG2 4.2Å; Y215-V233 HydrophobicContact CD1-CG1 4.11Å; Y215-V233 HydrophobicContact CE1-CG1 4.38Å; Y215-V233 HydrophobicContact CE1-CG2 4.46Å
216Q90.4Very high88.4Confident156 Ų15663.4 Ų63.473%0.72932%0.32SS*.Hα-helixtrans-79.4-37.4179.3-71.1172.9-13.300113N212 H214N212-Q216 WeakPolarHBondContact O-CG 3.42Å; N212-Q216 PolarHBondContact O-N 3.34Å; N212-Q216 VanDerWaalsContact O-N 3.09Å; H214-Q216 VanDerWaalsContact C-N 3.26Å; H214-Q216 PolarHBondContact O-N 3.06Å
217T92.3Very high87.6Confident73 Ų7365 Ų6545%0.44835%0.346SS..Hα-helixtrans-101.7-32.5-170-51.30000113.5L187 L189 C213L187-T217 HydrophobicContact CD1-CG2 4.33Å; L189-T217 HydrophobicContact CD1-CG2 4.39Å; L189-T217 HydrophobicContact CD2-CG2 4.31Å; C213-T217 WeakPolarHBondContact O-CB 3.31Å; C213-T217 PolarHBondContact O-N 2.99Å; C213-T217 VanDerWaalsContact O-N 3.11Å; C213-T217 PolarHBondContact O-OG1 2.87Å; C213-T217 VanDerWaalsContact O-OG1 3.08Å
218I90.4Very high86.8Confident3 Ų361 Ų612%0.01534%0.338CS..SBendtrans-80.7131.4-176-57.8178.2000109.7L180 C184 L187 L189 H214 I222 L223L180-I218 HydrophobicContact CD1-CD1 3.77Å; L180-I218 HydrophobicContact CD1-CG2 4.1Å; C184-I218 VanDerWaalsContact SG-CD1 3.52Å; L187-I218 HydrophobicContact CD1-CG1 4.34Å; L189-I218 HydrophobicContact CD1-CD1 3.94Å; L189-I218 HydrophobicContact CD1-CG1 3.58Å; H214-I218 HydrophobicContact CB-CD1 3.85Å; H214-I218 HydrophobicContact CB-CG1 4.46Å; H214-I218 VanDerWaalsContact O-CB 3.23Å; H214-I218 WeakPolarHBondContact O-CB 3.4Å; H214-I218 WeakPolarHBondContact O-CG1 3.36Å; H214-I218 PolarHBondContact O-N 2.91Å; I218-I222 HydrophobicContact CG2-CB 4.05Å; I218-I222 HydrophobicContact CG2-CG2 4.05Å; I218-L223 HydrophobicContact CB-CD1 4.1Å; I218-L223 HydrophobicContact CB-CD2 4.39Å; I218-L223 HydrophobicContact CB-CG 4.12Å; I218-L223 HydrophobicContact CD1-CD2 4.37Å; I218-L223 HydrophobicContact CG2-CD1 4.32Å; I218-L223 HydrophobicContact CG2-CD2 4.21Å; I218-L223 HydrophobicContact CG2-CG 3.83Å
219P86.1Confident85.8Confident49 Ų4959.7 Ų59.732%0.31833%0.33SS..  trans-53132.8176-28.334000113.1H221 I222 L223P219-H221 VanDerWaalsContact C-N 3.25Å; P219-H221 WeakPolarHBondContact CB-CE1 3.44Å; P219-H221 PolarHBondContact O-N 3.48Å; P219-H221 VanDerWaalsContact O-N 3.11Å; P219-I222 HydrophobicContact CB-CD1 3.99Å; P219-I222 HydrophobicContact CB-CG1 4.43Å; P219-I222 HydrophobicContact CG-CD1 3.9Å; P219-I222 WeakPolarHBondContact O-CB 3.18Å; P219-I222 PolarHBondContact O-N 3.2Å; P219-L223 PolarHBondContact O-N 2.93Å
220P85.8Confident84.3Confident55 Ų5561.3 Ų61.336%0.35734%0.338SS..Hα-helixtrans-54.5-36.5-175-30.735.2000114.8I222 L223 L224 W235P220-I222 VanDerWaalsContact C-N 3.29Å; P220-I222 PolarHBondContact O-N 3.06Å; P220-L223 PolarHBondContact O-N 3.35Å; P220-L224 WeakPolarHBondContact O-CB 3.2Å; P220-L224 VanDerWaalsContact O-CG 3.29Å; P220-L224 WeakPolarHBondContact O-CG 3.35Å; P220-L224 PolarHBondContact O-N 3.15Å; P220-W235 HydrophobicContact CB-CD2 3.93Å; P220-W235 HydrophobicContact CB-CE3 3.91Å; P220-W235 HydrophobicContact CB-CH2 3.63Å; P220-W235 HydrophobicContact CB-CZ2 3.66Å; P220-W235 HydrophobicContact CB-CZ3 3.76Å; P220-W235 HydrophobicContact CG-CD2 3.85Å; P220-W235 HydrophobicContact CG-CE3 3.58Å; P220-W235 HydrophobicContact CG-CH2 4.17Å; P220-W235 HydrophobicContact CG-CZ2 4.41Å; P220-W235 HydrophobicContact CG-CZ3 3.74Å
221H83.9Confident82.8Confident135 Ų13564.4 Ų64.463%0.62536%0.36SS*.Hα-helixtrans-65-31.1-179.569.3-86.6000112.9P219 A225P219-H221 VanDerWaalsContact C-N 3.25Å; P219-H221 WeakPolarHBondContact CB-CE1 3.44Å; P219-H221 PolarHBondContact O-N 3.48Å; P219-H221 VanDerWaalsContact O-N 3.11Å; H221-A225 VanDerWaalsContact O-CB 3.26Å; H221-A225 WeakPolarHBondContact O-CB 3.44Å; H221-A225 PolarHBondContact O-N 3.14Å
222I82.9Confident81Confident22 Ų2265 Ų6511%0.11337%0.373CS..Hα-helixtrans-72-42.3176.2-65.5164.9000110L180 H183 I218 P219 P220 A225L180-I222 HydrophobicContact CD1-CG2 3.98Å; H183-I222 VanDerWaalsContact CD2-CD1 3.43Å; H183-I222 WeakPolarHBondContact CD2-CD1 3.12Å; H183-I222 WeakPolarHBondContact NE2-CD1 3.36Å; I218-I222 HydrophobicContact CG2-CB 4.05Å; I218-I222 HydrophobicContact CG2-CG2 4.05Å; P219-I222 HydrophobicContact CB-CD1 3.99Å; P219-I222 HydrophobicContact CB-CG1 4.43Å; P219-I222 HydrophobicContact CG-CD1 3.9Å; P219-I222 WeakPolarHBondContact O-CB 3.18Å; P219-I222 PolarHBondContact O-N 3.2Å; P220-I222 VanDerWaalsContact C-N 3.29Å; P220-I222 PolarHBondContact O-N 3.06Å; I222-A225 PolarHBondContact O-N 3.12Å
223L84.1Confident79.3Confident0 Ų061.3 Ų61.30%036%0.355CS..Hα-helixtrans-63-48.4176.7-74.2171.6000111L180 L210 Y215 I218 P219 P220 A225 T226 I229 W235L180-L223 HydrophobicContact CD1-CD2 3.78Å; L210-L223 HydrophobicContact CD1-CD2 4.09Å; L210-L223 HydrophobicContact CD2-CD2 4.17Å; Y215-L223 HydrophobicContact CD1-CD1 4.26Å; I218-L223 HydrophobicContact CB-CD1 4.1Å; I218-L223 HydrophobicContact CB-CD2 4.39Å; I218-L223 HydrophobicContact CB-CG 4.12Å; I218-L223 HydrophobicContact CD1-CD2 4.37Å; I218-L223 HydrophobicContact CG2-CD1 4.32Å; I218-L223 HydrophobicContact CG2-CD2 4.21Å; I218-L223 HydrophobicContact CG2-CG 3.83Å; P219-L223 PolarHBondContact O-N 2.93Å; P220-L223 PolarHBondContact O-N 3.35Å; L223-A225 VanDerWaalsContact C-N 3.32Å; L223-A225 PolarHBondContact O-N 3.48Å; L223-T226 PolarHBondContact O-N 3.2Å; L223-T226 PolarHBondContact O-OG1 2.87Å; L223-I229 HydrophobicContact CB-CD1 3.68Å; L223-I229 HydrophobicContact CD2-CD1 3.62Å; L223-I229 HydrophobicContact CG-CD1 4.2Å; L223-W235 HydrophobicContact CB-CH2 3.97Å; L223-W235 HydrophobicContact CD1-CH2 3.58Å; L223-W235 HydrophobicContact CD1-CZ3 3.61Å; L223-W235 HydrophobicContact CG-CH2 4.43Å
224L83.7Confident76.8Confident69 Ų6964.6 Ų64.636%0.36138%0.375SS..Hα-helixtrans-65.8-33.5178.7-69.3171.7000112.8P220 T226 G227 W235P220-L224 WeakPolarHBondContact O-CB 3.2Å; P220-L224 VanDerWaalsContact O-CG 3.29Å; P220-L224 WeakPolarHBondContact O-CG 3.35Å; P220-L224 PolarHBondContact O-N 3.15Å; L224-T226 PolarHBondContact O-N 2.94Å; L224-T226 VanDerWaalsContact O-N 3.13Å; L224-G227 PolarHBondContact O-N 2.8Å; L224-W235 HydrophobicContact CD2-CZ2 4.48Å; L224-W235 HydrophobicContact CG-CZ2 4.27Å
225A79.6Confident74.6Confident48 Ų4869.3 Ų69.340%0.39739%0.392SS..Hα-helixtrans-56.6-30.617800000112.1M176 H221 I222 L223 G227M176-A225 HydrophobicContact CE-CB 4.43Å; M176-A225 WeakPolarHBondContact CE-O 3.44Å; H221-A225 VanDerWaalsContact O-CB 3.26Å; H221-A225 WeakPolarHBondContact O-CB 3.44Å; H221-A225 PolarHBondContact O-N 3.14Å; I222-A225 PolarHBondContact O-N 3.12Å; L223-A225 VanDerWaalsContact C-N 3.32Å; L223-A225 PolarHBondContact O-N 3.48Å; A225-G227 PolarHBondContact O-N 2.84Å
226T77.1Confident72.4Confident6 Ų679.5 Ų79.54%0.03743%0.43CS..THydrogen-bonded Turntrans-64.6-19177.768.60000114.3L173 M176 L180 L223 L224 L228L173-T226 WeakPolarHBondContact CD1-O 3.46Å; M176-T226 HydrophobicContact CB-CG2 4.4Å; L180-T226 HydrophobicContact CB-CG2 4.32Å; L180-T226 HydrophobicContact CD2-CG2 3.99Å; L223-T226 PolarHBondContact O-N 3.2Å; L223-T226 PolarHBondContact O-OG1 2.87Å; L224-T226 PolarHBondContact O-N 2.94Å; L224-T226 VanDerWaalsContact O-N 3.13Å; T226-L228 PolarHBondContact O-N 2.93Å; T226-L228 PolarHBondContact OG1-N 3.39Å
227G74.4Confident71.5Confident67 Ų6775.7 Ų75.769%0.69142%0.415SS*.SBendtrans66.71.2-176.100000114.9L224 A225L224-G227 PolarHBondContact O-N 2.8Å; A225-G227 PolarHBondContact O-N 2.84Å
228L74.2Confident70.4Confident97 Ų9775.8 Ų75.851%0.50841%0.414SS..  trans-96.7-5.7-178.3-64.1179.6000113.3L173 L177 L208 T226L173-L228 HydrophobicContact CD1-CD1 3.97Å; L173-L228 HydrophobicContact CD1-CD2 4.3Å; L173-L228 HydrophobicContact CD1-CG 3.95Å; L177-L228 HydrophobicContact CD2-CD1 3.95Å; L208-L228 HydrophobicContact CD2-CB 4.46Å; L208-L228 HydrophobicContact CD2-CD1 4.14Å; T226-L228 PolarHBondContact O-N 2.93Å; T226-L228 PolarHBondContact OG1-N 3.39Å
229I70.6Confident69.3Low18 Ų1879.8 Ų79.89%0.09244%0.436CS..SBendtrans-117.1128.2-175.7-56.5169.8000108.7L210 Y215 L223 V233L210-I229 HydrophobicContact CD1-CD1 3.38Å; L210-I229 HydrophobicContact CD1-CG1 4.02Å; Y215-I229 HydrophobicContact CE1-CD1 4.43Å; Y215-I229 HydrophobicContact CE1-CG2 4.2Å; L223-I229 HydrophobicContact CB-CD1 3.68Å; L223-I229 HydrophobicContact CD2-CD1 3.62Å; L223-I229 HydrophobicContact CG-CD1 4.2Å; I229-V233 HydrophobicContact CG2-CG2 3.96Å
230Q61.8Low68.3Low139 Ų13981.6 Ų81.665%0.6544%0.443SS*.  trans-70.6141.9178-72.5-83-34.400110.6S232 V233Q230-S232 PolarHBondContact O-N 3.4Å; Q230-V233 PolarHBondContact O-N 3.34Å
231P59.7Low67.2Low96 Ų9683.3 Ų83.362%0.62345%0.448SS*.THydrogen-bonded Turntrans-61.4-15.8176.6-17.227.6000114V233P231-V233 VanDerWaalsContact C-N 3.26Å; P231-V233 PolarHBondContact O-N 3.33Å
232S54.8Low66.1Low95 Ų9579.9 Ų79.966%0.66444%0.436SS*.THydrogen-bonded Turntrans-78.50.6-176.163.30000114.6Q230 T234Q230-S232 PolarHBondContact O-N 3.4Å; S232-T234 PolarHBondContact O-N 3.09Å; S232-T234 VanDerWaalsContact O-N 3.1Å
233V55.5Low64.9Low49 Ų4984 Ų8430%0.29746%0.459SS..SBendtrans-65.5112.5169.1-176.20000106.9Y215 I229 Q230 P231 W235Y215-V233 HydrophobicContact CD1-CG1 4.11Å; Y215-V233 HydrophobicContact CE1-CG1 4.38Å; Y215-V233 HydrophobicContact CE1-CG2 4.46Å; I229-V233 HydrophobicContact CG2-CG2 3.96Å; Q230-V233 PolarHBondContact O-N 3.34Å; P231-V233 VanDerWaalsContact C-N 3.26Å; P231-V233 PolarHBondContact O-N 3.33Å; V233-W235 PolarHBondContact O-N 3.32Å; V233-W235 PolarHBondContact O-NE1 2.97Å
234T40.4Very low63.4Low106 Ų10690.5 Ų90.565%0.6549%0.494SS*.  trans-61.8102.1177.645.20000108.9S232 R236S232-T234 PolarHBondContact O-N 3.09Å; S232-T234 VanDerWaalsContact O-N 3.1Å; T234-R236 PolarHBondContact O-N 2.57Å
235W49.5Very low61.7Low99 Ų9992.3 Ų92.338%0.37551%0.506SS..  trans-66.583.6166.3-49.1100.4000107.5P220 L223 L224 V233P220-W235 HydrophobicContact CB-CD2 3.93Å; P220-W235 HydrophobicContact CB-CE3 3.91Å; P220-W235 HydrophobicContact CB-CH2 3.63Å; P220-W235 HydrophobicContact CB-CZ2 3.66Å; P220-W235 HydrophobicContact CB-CZ3 3.76Å; P220-W235 HydrophobicContact CG-CD2 3.85Å; P220-W235 HydrophobicContact CG-CE3 3.58Å; P220-W235 HydrophobicContact CG-CH2 4.17Å; P220-W235 HydrophobicContact CG-CZ2 4.41Å; P220-W235 HydrophobicContact CG-CZ3 3.74Å; L223-W235 HydrophobicContact CB-CH2 3.97Å; L223-W235 HydrophobicContact CD1-CH2 3.58Å; L223-W235 HydrophobicContact CD1-CZ3 3.61Å; L223-W235 HydrophobicContact CG-CH2 4.43Å; L224-W235 HydrophobicContact CD2-CZ2 4.48Å; L224-W235 HydrophobicContact CG-CZ2 4.27Å; V233-W235 PolarHBondContact O-N 3.32Å; V233-W235 PolarHBondContact O-NE1 2.97Å
236R42.7Very low60.1Low287 Ų28796.3 Ų96.3100%1.08352%0.515SS*.  trans-116.60174.4-77.2-173.3-177.3-171.62.2109.2T234T234-R236 PolarHBondContact O-N 2.57Å

Retrieved 236 of 236 residues in 73 ms (Link to these results)

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