A0A060YCP1_ONCMY Loading...

Prostaglandin D2 synthase a

AlphaFold DB , UniProt , Accession A0A060YCP1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 169 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.8Very low71.3Confident244 Ų24498.3 Ų98.3100%1.20253%0.532SS*.  097.90-69.6170.9-171.100106.7
2G41.7Very low73.3Confident56 Ų56103.1 Ų103.158%0.57756%0.558SS**  trans-79.6126.2-18000000109.2H4G2-H4 PolarHBondContact O-CD2 2.94Å; G2-H4 PolarHBondContact O-N 2.77Å
3V40.9Very low75.2Confident149 Ų14996.5 Ų96.590%0.90352%0.521SS*.  trans-70.585.2169.3-147.20000106.1G5V3-G5 PolarHBondContact O-N 3.03Å; V3-G5 VanDerWaalsContact O-N 3.08Å
4H54.3Low76.9Confident88 Ų8894 Ų9441%0.40751%0.507SS..  trans-70.7102.8169-62.6-72.8000105.6G2 D6 M117 H148G2-H4 PolarHBondContact O-CD2 2.94Å; G2-H4 PolarHBondContact O-N 2.77Å; H4-D6 PolarHBondContact O-N 3.49Å; H4-M117 HydrophobicContact CB-CG 4.01Å; H4-H148 PolarHBondContact CE1-O 3.44Å
5G59.6Low78.2Confident53 Ų5389.9 Ų89.955%0.54649%0.485SS..  trans-51.6138.5174.500000109.7V3 V7V3-G5 PolarHBondContact O-N 3.03Å; V3-G5 VanDerWaalsContact O-N 3.08Å; G5-V7 PolarHBondContact O-N 3.3Å
6D80.3Confident79.4Confident97 Ų9792.7 Ų92.752%0.51949%0.493SS..  trans-61.2107.5179.5-174.134.4000108.6H4 Q8 K115H4-D6 PolarHBondContact O-N 3.49Å; D6-Q8 PolarHBondContact O-N 3.22Å; D6-Q8 VanDerWaalsContact O-N 3.14Å; D6-Q8 PolarHBondContact O-NE2 3.16Å; D6-Q8 PolarHBondContact OD2-NE2 3.39Å; D6-K115 IonicContact OD1-NZ 3.93Å; D6-K115 PolarHBondContact OD1-NZ 2.87Å; D6-K115 IonicContact OD2-NZ 2.73Å; D6-K115 PolarHBondContact OD2-NZ 3.04Å
7V90.1Very high80.5Confident15 Ų1594.7 Ų94.79%0.09149%0.493CS..  trans-65.8115-177.2178.70000108.4G5 T99 V101 L112 F144 H148G5-V7 PolarHBondContact O-N 3.3Å; V7-T99 HydrophobicContact CG1-CG2 4.3Å; V7-V101 HydrophobicContact CG1-CB 4.39Å; V7-V101 HydrophobicContact CG1-CG1 4Å; V7-V101 HydrophobicContact CG1-CG2 3.61Å; V7-L112 HydrophobicContact CB-CD2 3.65Å; V7-L112 HydrophobicContact CG1-CD2 3.8Å; V7-L112 HydrophobicContact CG2-CD2 3.74Å; V7-F144 HydrophobicContact CG1-CZ 4.2Å; V7-F144 HydrophobicContact CG2-CZ 4.41Å; V7-H148 VanDerWaalsContact CG2-NE2 3.28Å; V7-H148 WeakPolarHBondContact CG2-NE2 3.47Å
8Q93.8Very high81.5Confident101 Ų10190.1 Ų90.147%0.47247%0.468SS..PPolyproline II helixtrans-89.7151.2178-58.8-51.8-50.100111D6D6-Q8 PolarHBondContact O-N 3.22Å; D6-Q8 VanDerWaalsContact O-N 3.14Å; D6-Q8 PolarHBondContact O-NE2 3.16Å; D6-Q8 PolarHBondContact OD2-NE2 3.39Å
9P96.6Very high82.4Confident21 Ų2186.5 Ų86.514%0.13645%0.453CS..PPolyproline II helixtrans-61.1157.8167.8-17.930.7000111.9R11 I81 P82 A84 T99 V100P9-R11 PolarHBondContact O-N 3.27Å; P9-I81 HydrophobicContact CG-CG2 3.88Å; P9-P82 WeakPolarHBondContact CB-O 3.25Å; P9-A84 HydrophobicContact CG-CB 3.83Å; P9-T99 HydrophobicContact CB-CG2 4.14Å; P9-T99 HydrophobicContact CG-CG2 3.92Å; P9-V100 CarbonylContact C-O 3.53Å; P9-V100 WeakPolarHBondContact CA-O 3.41Å
10Q96.8Very high83.1Confident37 Ų3783.5 Ų83.517%0.17344%0.444CS..PPolyproline II helixtrans-52.1133.4168.8164.6160.3-44.400111V100 V101 T103 Y105Q10-V100 PolarHBondContact N-O 2.71Å; Q10-V101 PolarHBondContact N-O 2.87Å; Q10-T103 PolarHBondContact NE2-O 3.14Å; Q10-T103 PolarHBondContact OE1-O 2.86Å; Q10-Y105 VanDerWaalsContact NE2-CZ 3.25Å; Q10-Y105 PolarHBondContact NE2-OH 2.86Å
11R96.3Very high83.8Confident220 Ų22084.4 Ų84.483%0.8344%0.444SS*.THydrogen-bonded Turntrans-62.5144.1171.8-65.9-175.1178.2-178.3-1111P9 F13P9-R11 PolarHBondContact O-N 3.27Å; R11-F13 PolarHBondContact O-N 3.2Å
12D96Very high86.9Confident156 Ų15673 Ų7383%0.83439%0.387SS*.THydrogen-bonded Turntrans52.439.8177.9-49.1-49.5000112.4D14 Y105D12-D14 PolarHBondContact O-N 2.79Å; D12-Y105 PolarHBondContact O-OH 3.24Å
13F98.1Very high89.6Confident18 Ų1872 Ų728%0.07937%0.366CS..  trans-62122.3179.6176.1-96.5000111.2R11 L15 F18 P82 F85 V100 T103 Y105R11-F13 PolarHBondContact O-N 3.2Å; F13-L15 HydrophobicContact CE1-CB 3.93Å; F13-L15 HydrophobicContact CE1-CD1 4.24Å; F13-L15 HydrophobicContact CZ-CD1 4.49Å; F13-F18 HydrophobicContact CE2-CB 3.75Å; F13-F18 HydrophobicContact CE2-CD1 4.05Å; F13-F18 AromaticContact CE2-CD2 3.75Å; F13-F18 HydrophobicContact CE2-CD2 3.75Å; F13-F18 HydrophobicContact CE2-CE2 4.32Å; F13-F18 AromaticContact CE2-CG 3.59Å; F13-F18 HydrophobicContact CE2-CG 3.59Å; F13-F18 HydrophobicContact CZ-CB 3.52Å; F13-F18 AromaticContact CZ-CD1 3.65Å; F13-F18 HydrophobicContact CZ-CD1 3.65Å; F13-F18 HydrophobicContact CZ-CD2 4.17Å; F13-F18 HydrophobicContact CZ-CE1 4.38Å; F13-F18 AromaticContact CZ-CG 3.52Å; F13-F18 HydrophobicContact CZ-CG 3.52Å; F13-P82 HydrophobicContact CB-CB 4.25Å; F13-P82 HydrophobicContact CD1-CB 4.46Å; F13-F85 HydrophobicContact CE1-CE2 4.26Å; F13-F85 HydrophobicContact CE1-CZ 4.14Å; F13-V100 HydrophobicContact CD2-CB 4.25Å; F13-V100 HydrophobicContact CD2-CG1 4.12Å; F13-V100 HydrophobicContact CE2-CB 3.98Å; F13-V100 HydrophobicContact CE2-CG1 3.78Å; F13-V100 HydrophobicContact CE2-CG2 3.98Å; F13-V100 HydrophobicContact CZ-CG2 4.15Å; F13-T103 HydrophobicContact CD2-CG2 4.28Å; F13-T103 HydrophobicContact CE2-CG2 4.22Å; F13-Y105 WeakPolarHBondContact CA-OH 3.43Å; F13-Y105 HydrophobicContact CD2-CE1 4.34Å; F13-Y105 HydrophobicContact CE2-CE1 4.42Å
14D97.9Very high92.3Very high61 Ų6166.6 Ų66.633%0.32633%0.33SS..  trans-103.9108.2177.1-176-29.7000110.5D12 Q16 R17 F18 Y105D12-D14 PolarHBondContact O-N 2.79Å; D14-Q16 VanDerWaalsContact C-N 3.33Å; D14-Q16 PolarHBondContact O-N 3.17Å; D14-Q16 WeakPolarHBondContact OD1-CA 3.31Å; D14-Q16 WeakPolarHBondContact OD1-CB 3.49Å; D14-Q16 PolarHBondContact OD1-N 2.85Å; D14-R17 HydrophobicContact CB-CB 4.12Å; D14-R17 HydrophobicContact CB-CG 4.16Å; D14-R17 PolarHBondContact O-N 2.9Å; D14-R17 PolarHBondContact OD1-N 3.1Å; D14-R17 WeakPolarHBondContact OD2-CD 3.23Å; D14-R17 VanDerWaalsContact OD2-CG 3.32Å; D14-R17 WeakPolarHBondContact OD2-CG 2.98Å; D14-F18 WeakPolarHBondContact O-CB 3.43Å; D14-F18 PolarHBondContact O-N 3.14Å; D14-Y105 HydrophobicContact CB-CE1 4.21Å; D14-Y105 PolarHBondContact N-OH 3.24Å; D14-Y105 WeakPolarHBondContact O-CE1 3.32Å
15L97.4Very high94.4Very high33 Ų3362.9 Ų62.917%0.17331%0.314CS..Hα-helixtrans-64.7-34.9-179.9176.657.1000112.9F13 F18 A19 P51 V57 F85F13-L15 HydrophobicContact CE1-CB 3.93Å; F13-L15 HydrophobicContact CE1-CD1 4.24Å; F13-L15 HydrophobicContact CZ-CD1 4.49Å; L15-F18 PolarHBondContact O-N 3.36Å; L15-A19 PolarHBondContact O-N 2.98Å; L15-P51 HydrophobicContact CD1-CG 4.16Å; L15-P51 HydrophobicContact CD2-CB 4.05Å; L15-P51 HydrophobicContact CD2-CG 4.48Å; L15-P51 HydrophobicContact CG-CB 4.06Å; L15-P51 HydrophobicContact CG-CG 3.95Å; L15-V57 HydrophobicContact CD1-CG2 3.54Å; L15-V57 HydrophobicContact CD2-CG2 3.89Å; L15-V57 HydrophobicContact CG-CG2 4.34Å; L15-F85 HydrophobicContact CD1-CZ 4.12Å
16Q97.1Very high96.2Very high134 Ų13460.4 Ų60.463%0.62629%0.287SS*.Hα-helixtrans-69.2-40.2-178.2-63.4-58.3-40.100110.6D14 F18 A19D14-Q16 VanDerWaalsContact C-N 3.33Å; D14-Q16 PolarHBondContact O-N 3.17Å; D14-Q16 WeakPolarHBondContact OD1-CA 3.31Å; D14-Q16 WeakPolarHBondContact OD1-CB 3.49Å; D14-Q16 PolarHBondContact OD1-N 2.85Å; Q16-F18 VanDerWaalsContact C-N 3.31Å; Q16-F18 PolarHBondContact O-N 2.98Å; Q16-A19 VanDerWaalsContact O-CB 3.26Å; Q16-A19 WeakPolarHBondContact O-CB 3.33Å; Q16-A19 PolarHBondContact O-N 3.48Å
17R98.1Very high97.1Very high127 Ų12756 Ų5648%0.47926%0.264SS..Hα-helixtrans-68.9-30.7173.2-66.4177.366.2-172.50.4112.7D14 A19 Y105 R129D14-R17 HydrophobicContact CB-CB 4.12Å; D14-R17 HydrophobicContact CB-CG 4.16Å; D14-R17 PolarHBondContact O-N 2.9Å; D14-R17 PolarHBondContact OD1-N 3.1Å; D14-R17 WeakPolarHBondContact OD2-CD 3.23Å; D14-R17 VanDerWaalsContact OD2-CG 3.32Å; D14-R17 WeakPolarHBondContact OD2-CG 2.98Å; R17-A19 VanDerWaalsContact C-N 3.29Å; R17-Y105 HydrophobicContact CB-CD1 3.69Å; R17-Y105 HydrophobicContact CB-CE1 4.17Å; R17-Y105 HydrophobicContact CB-CG 3.91Å; R17-R129 PolarHBondContact O-NH2 3.17Å
18F98.2Very high97.5Very high12 Ų1255.3 Ų55.35%0.05326%0.26CS..Hα-helixtrans-75.5-17.4177.3-163.6-110.6000113.7F13 D14 L15 Q16 W22 L49 V100 T103 Y105 A109 V111F13-F18 HydrophobicContact CE2-CB 3.75Å; F13-F18 HydrophobicContact CE2-CD1 4.05Å; F13-F18 AromaticContact CE2-CD2 3.75Å; F13-F18 HydrophobicContact CE2-CD2 3.75Å; F13-F18 HydrophobicContact CE2-CE2 4.32Å; F13-F18 AromaticContact CE2-CG 3.59Å; F13-F18 HydrophobicContact CE2-CG 3.59Å; F13-F18 HydrophobicContact CZ-CB 3.52Å; F13-F18 AromaticContact CZ-CD1 3.65Å; F13-F18 HydrophobicContact CZ-CD1 3.65Å; F13-F18 HydrophobicContact CZ-CD2 4.17Å; F13-F18 HydrophobicContact CZ-CE1 4.38Å; F13-F18 AromaticContact CZ-CG 3.52Å; F13-F18 HydrophobicContact CZ-CG 3.52Å; D14-F18 WeakPolarHBondContact O-CB 3.43Å; D14-F18 PolarHBondContact O-N 3.14Å; L15-F18 PolarHBondContact O-N 3.36Å; Q16-F18 VanDerWaalsContact C-N 3.31Å; Q16-F18 PolarHBondContact O-N 2.98Å; F18-W22 AromaticContact CD2-CZ2 3.93Å; F18-W22 HydrophobicContact CD2-CZ2 3.93Å; F18-W22 AromaticContact CE2-CZ2 3.93Å; F18-W22 HydrophobicContact CE2-CZ2 3.93Å; F18-W22 PolarHBondContact O-NE1 3.47Å; F18-L49 HydrophobicContact CD1-CD1 3.6Å; F18-L49 HydrophobicContact CE1-CD1 3.37Å; F18-L49 HydrophobicContact CZ-CD1 4.3Å; F18-V100 HydrophobicContact CE1-CG2 4.01Å; F18-V100 HydrophobicContact CE2-CG1 3.92Å; F18-V100 HydrophobicContact CZ-CG1 4.03Å; F18-V100 HydrophobicContact CZ-CG2 3.95Å; F18-T103 HydrophobicContact CD2-CG2 3.87Å; F18-T103 HydrophobicContact CE2-CG2 3.99Å; F18-Y105 HydrophobicContact CB-CD1 4.27Å; F18-Y105 HydrophobicContact CB-CE1 4.49Å; F18-Y105 HydrophobicContact CD2-CD1 4.38Å; F18-A109 HydrophobicContact CE2-CB 3.51Å; F18-A109 HydrophobicContact CZ-CB 3.92Å; F18-V111 HydrophobicContact CZ-CG2 4.48Å
19A98.1Very high97.6Very high22 Ų2250.6 Ų50.618%0.18224%0.238CC..  trans-60.3168.4-178.900000113.7L15 Q16 R17 P51 R129L15-A19 PolarHBondContact O-N 2.98Å; Q16-A19 VanDerWaalsContact O-CB 3.26Å; Q16-A19 WeakPolarHBondContact O-CB 3.33Å; Q16-A19 PolarHBondContact O-N 3.48Å; R17-A19 VanDerWaalsContact C-N 3.29Å; A19-P51 HydrophobicContact CB-CG 3.59Å; A19-R129 PolarHBondContact O-NH1 2.92Å; A19-R129 PolarHBondContact O-NH2 2.77Å; A19-R129 VanDerWaalsContact O-NH2 3.09Å
20G97.9Very high97.4Very high26 Ų2650.7 Ų50.727%0.26824%0.237SC..EExtended strand (participates in β ladder)trans88.7-154.2173.800000113.8I48 L49G20-I48 WeakPolarHBondContact O-CA 3.49Å; G20-L49 PolarHBondContact N-O 3.16Å; G20-L49 PolarHBondContact O-N 2.83Å
21K98.1Very high97.2Very high102 Ų10248.9 Ų48.944%0.44323%0.229SC..EExtended strand (participates in β ladder)trans-78.9137-168.4-173.817764.5175.40112.5Y23 M46 G47 R129K21-Y23 HydrophobicContact CD-CE2 4.16Å; K21-Y23 HydrophobicContact CG-CE2 4.34Å; K21-Y23 PolarHBondContact NZ-OH 3.28Å; K21-M46 HydrophobicContact CD-CG 4.31Å; K21-M46 HydrophobicContact CD-SD 4.33Å; K21-M46 HydrophobicContact CG-CG 4.08Å; K21-M46 HydrophobicContact CG-SD 3.89Å; K21-G47 CarbonylContact C-O 3.6Å; K21-G47 WeakPolarHBondContact CA-O 3.27Å; K21-R129 VanDerWaalsContact O-CD 3.26Å; K21-R129 WeakPolarHBondContact O-CD 3.39Å; K21-R129 PolarHBondContact O-NH1 2.92Å
22W98.5Very high96.8Very high4 Ų441.9 Ų41.92%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-141.1153.1174.1-7198.2000111F18 M46 G47 Y105 A109 Y127 G128 R129F18-W22 AromaticContact CD2-CZ2 3.93Å; F18-W22 HydrophobicContact CD2-CZ2 3.93Å; F18-W22 AromaticContact CE2-CZ2 3.93Å; F18-W22 HydrophobicContact CE2-CZ2 3.93Å; F18-W22 PolarHBondContact O-NE1 3.47Å; W22-M46 CarbonylContact O-C 3.54Å; W22-M46 WeakPolarHBondContact O-CA 3.32Å; W22-G47 PolarHBondContact N-O 2.95Å; W22-G47 PolarHBondContact O-N 3.47Å; W22-Y105 WeakPolarHBondContact CH2-O 3.15Å; W22-A109 HydrophobicContact CH2-CB 4.2Å; W22-A109 HydrophobicContact CZ3-CB 4.28Å; W22-Y127 HydrophobicContact CB-CD1 4.01Å; W22-G128 VanDerWaalsContact CE3-C 3.48Å; W22-R129 VanDerWaalsContact CE2-CZ 3.4Å; W22-R129 HydrophobicContact CE3-CG 4.18Å; W22-R129 HydrophobicContact CH2-CG 3.96Å; W22-R129 HydrophobicContact CZ3-CG 3.75Å
23Y98.1Very high96.4Very high35 Ų3536.2 Ų36.214%0.13719%0.19CC..EExtended strand (participates in β ladder)trans-116.5125.2171.6-62.8-86.2000109K21 V25 V44 S45 M46 Y127 G128 R129 Q131K21-Y23 HydrophobicContact CD-CE2 4.16Å; K21-Y23 HydrophobicContact CG-CE2 4.34Å; K21-Y23 PolarHBondContact NZ-OH 3.28Å; Y23-V25 PolarHBondContact O-N 2.87Å; Y23-V25 VanDerWaalsContact O-N 3.14Å; Y23-V44 HydrophobicContact CD1-CG1 4.21Å; Y23-S45 CarbonylContact C-O 3.52Å; Y23-S45 WeakPolarHBondContact CA-O 3.44Å; Y23-M46 HydrophobicContact CD1-CB 3.89Å; Y23-M46 HydrophobicContact CD1-CG 3.9Å; Y23-M46 HydrophobicContact CE1-CB 3.85Å; Y23-M46 HydrophobicContact CE1-CG 3.56Å; Y23-Y127 CarbonylContact O-C 3.59Å; Y23-Y127 WeakPolarHBondContact O-CA 3.43Å; Y23-G128 PolarHBondContact N-O 2.85Å; Y23-G128 PolarHBondContact O-N 3.34Å; Y23-R129 WeakPolarHBondContact CE2-O 3.19Å; Y23-Q131 HydrophobicContact CD1-CG 3.54Å; Y23-Q131 HydrophobicContact CD2-CG 4.32Å; Y23-Q131 HydrophobicContact CE1-CG 3.64Å; Y23-Q131 HydrophobicContact CE2-CG 4.43Å; Y23-Q131 HydrophobicContact CG-CG 3.89Å
24R98.1Very high95.9Very high37 Ų3736 Ų3614%0.1419%0.189CC..EExtended strand (participates in β ladder)trans-76.6101169.3-171.3-174.364.3-152.8-5.9108.4G26 V44 S45 A125 L126 Y127R24-G26 WeakPolarHBondContact CG-O 3.26Å; R24-V44 WeakPolarHBondContact O-CA 3.42Å; R24-S45 WeakPolarHBondContact CB-OG 3.35Å; R24-S45 VanDerWaalsContact CZ-OG 3.31Å; R24-S45 PolarHBondContact N-O 2.95Å; R24-S45 PolarHBondContact NE-OG 3.4Å; R24-S45 PolarHBondContact NH2-OG 3.49Å; R24-A125 HydrophobicContact CG-CB 4.22Å; R24-L126 CarbonylContact C-O 3.44Å; R24-L126 WeakPolarHBondContact CA-O 3.26Å; R24-Y127 HydrophobicContact CB-CD1 3.96Å; R24-Y127 HydrophobicContact CB-CE1 3.67Å; R24-Y127 HydrophobicContact CG-CE1 4.19Å
25V97.9Very high95.3Very high10 Ų1035.2 Ų35.26%0.06119%0.187CC..EExtended strand (participates in β ladder)trans-102.5-9.5-174.8-62.60000113.1Y23 V44 L126 Q131 V133 P158Y23-V25 PolarHBondContact O-N 2.87Å; Y23-V25 VanDerWaalsContact O-N 3.14Å; V25-V44 HydrophobicContact CG1-CG1 4.14Å; V25-V44 HydrophobicContact CG1-CG2 4.42Å; V25-L126 HydrophobicContact CG2-CB 4.47Å; V25-L126 HydrophobicContact CG2-CD2 3.89Å; V25-L126 HydrophobicContact CG2-CG 3.79Å; V25-L126 PolarHBondContact N-O 3.44Å; V25-Q131 VanDerWaalsContact CG1-O 3.31Å; V25-Q131 WeakPolarHBondContact CG1-O 3.47Å; V25-V133 HydrophobicContact CG2-CG1 4.06Å; V25-V133 HydrophobicContact CG2-CG2 3.92Å; V25-P158 WeakPolarHBondContact O-CD 3.27Å
26G98.1Very high94.7Very high0 Ų037.6 Ų37.60%021%0.211CC..EExtended strand (participates in β ladder)trans-144.4149.6170.900000112.1R24 A125 L126 L156R24-G26 WeakPolarHBondContact CG-O 3.26Å; G26-A125 WeakPolarHBondContact O-CA 3.47Å; G26-L126 PolarHBondContact N-O 3.06Å; G26-L126 VanDerWaalsContact N-O 3.16Å; G26-L126 PolarHBondContact O-N 3.46Å; G26-L156 CarbonylContact C-O 3.55Å; G26-L156 VanDerWaalsContact CA-O 3.24Å; G26-L156 WeakPolarHBondContact CA-O 3.39Å
27L98.1Very high94.1Very high5 Ų534.2 Ų34.23%0.02620%0.202CC..EExtended strand (participates in β ladder)trans-146.8123.3176.8-179.365.6000110.2F34 L42 Q123 V124 A125 L156L27-F34 HydrophobicContact CD2-CE2 4.24Å; L27-F34 HydrophobicContact CD2-CZ 3.88Å; L27-L42 HydrophobicContact CB-CD2 4.01Å; L27-L42 HydrophobicContact CD2-CD1 4.1Å; L27-L42 HydrophobicContact CD2-CD2 4.01Å; L27-Q123 HydrophobicContact CD1-CB 4.23Å; L27-V124 CarbonylContact C-O 3.56Å; L27-V124 WeakPolarHBondContact CA-O 3.36Å; L27-A125 HydrophobicContact CD1-CB 4.48Å; L27-L156 PolarHBondContact N-O 3.26Å; L27-L156 WeakPolarHBondContact O-CB 3.45Å; L27-L156 PolarHBondContact O-N 2.98Å
28A97.8Very high93.5Very high0 Ų033.9 Ų33.90%020%0.202CC..EExtended strand (participates in β ladder)trans-102.9116.7165.300000108.3Q123 V124 F141 A145 F150 A154 I155A28-Q123 WeakPolarHBondContact O-CA 3.41Å; A28-V124 HydrophobicContact CB-CB 4.07Å; A28-V124 PolarHBondContact N-O 3.5Å; A28-V124 PolarHBondContact O-N 3.02Å; A28-F141 HydrophobicContact CB-CE2 4.23Å; A28-F141 HydrophobicContact CB-CZ 4.1Å; A28-A145 HydrophobicContact CB-CB 3.62Å; A28-F150 HydrophobicContact CB-CB 4.29Å; A28-F150 HydrophobicContact CB-CD1 3.84Å; A28-F150 HydrophobicContact CB-CD2 4.37Å; A28-F150 HydrophobicContact CB-CE1 4.24Å; A28-F150 HydrophobicContact CB-CG 3.9Å; A28-F150 WeakPolarHBondContact O-CE1 3.38Å; A28-A154 VanDerWaalsContact CA-O 3.3Å; A28-A154 WeakPolarHBondContact CA-O 3.37Å; A28-I155 HydrophobicContact CB-CB 4.48Å; A28-I155 HydrophobicContact CB-CG1 3.95Å; A28-I155 HydrophobicContact CB-CG2 4.49Å
29Y95.8Very high93Very high2 Ų237.2 Ų37.21%0.00821%0.214CC..  trans-157.5115.8-179.7-172.6-155.5000111.5S31 F34 R91 H92 E120 T122 Q123 A154Y29-S31 WeakPolarHBondContact OH-CB 3.3Å; Y29-F34 HydrophobicContact CD1-CB 3.69Å; Y29-F34 AromaticContact CD1-CD1 3.73Å; Y29-F34 HydrophobicContact CD1-CD1 3.73Å; Y29-F34 AromaticContact CD1-CD2 3.85Å; Y29-F34 HydrophobicContact CD1-CD2 3.85Å; Y29-F34 HydrophobicContact CD1-CE1 4.33Å; Y29-F34 HydrophobicContact CD1-CE2 4.45Å; Y29-F34 AromaticContact CD1-CG 3.45Å; Y29-F34 HydrophobicContact CD1-CG 3.45Å; Y29-F34 VanDerWaalsContact CD1-CG 3.45Å; Y29-F34 HydrophobicContact CE1-CB 3.66Å; Y29-F34 HydrophobicContact CE1-CD2 4.23Å; Y29-F34 AromaticContact CE1-CG 3.9Å; Y29-F34 HydrophobicContact CE1-CG 3.9Å; Y29-F34 HydrophobicContact CG-CD1 4.16Å; Y29-F34 HydrophobicContact CG-CG 4.3Å; Y29-F34 WeakPolarHBondContact O-CD1 3.28Å; Y29-R91 PolarHBondContact OH-NH2 3.27Å; Y29-H92 PolarHBondContact OH-NE2 2.85Å; Y29-E120 VanDerWaalsContact CE2-O 3.28Å; Y29-E120 WeakPolarHBondContact CE2-O 3.37Å; Y29-E120 PolarHBondContact OH-O 3.09Å; Y29-T122 VanDerWaalsContact CD2-O 3.22Å; Y29-T122 WeakPolarHBondContact CD2-O 3.43Å; Y29-Q123 HydrophobicContact CD1-CG 4.11Å; Y29-Q123 HydrophobicContact CD2-CG 3.56Å; Y29-Q123 HydrophobicContact CE1-CG 4.39Å; Y29-Q123 HydrophobicContact CE2-CG 3.88Å; Y29-Q123 HydrophobicContact CG-CG 3.68Å; Y29-Q123 VanDerWaalsContact CZ-NE2 3.32Å; Y29-A154 PolarHBondContact N-O 2.95Å
30D93.1Very high92.5Very high23 Ų2342.1 Ų42.112%0.12324%0.237CC..  trans-109.329.9-174.5-172.731.8000113.3R119 F150 P151 A154D30-R119 HydrophobicContact CB-CG 4.41Å; D30-R119 WeakPolarHBondContact O-CG 3.35Å; D30-R119 PolarHBondContact O-NE 2.96Å; D30-R119 IonicContact OD1-NE 3.26Å; D30-R119 IonicContact OD1-NH2 3.22Å; D30-R119 PolarHBondContact OD1-NH2 3.12Å; D30-R119 IonicContact OD2-CZ 3.32Å; D30-R119 VanDerWaalsContact OD2-CZ 3.26Å; D30-R119 IonicContact OD2-NE 2.82Å; D30-R119 PolarHBondContact OD2-NE 2.71Å; D30-R119 IonicContact OD2-NH2 3.01Å; D30-R119 PolarHBondContact OD2-NH2 2.7Å; D30-F150 HydrophobicContact CB-CD1 4.48Å; D30-P151 HydrophobicContact CB-CG 4.38Å; D30-A154 HydrophobicContact CB-CB 3.69Å
31S92.9Very high92.2Very high0 Ų047.6 Ų47.60%025%0.254CS..  trans-69.5128.5171.9161.80000109.8Y29 G33 F34 T35 E120Y29-S31 WeakPolarHBondContact OH-CB 3.3Å; S31-G33 VanDerWaalsContact C-N 3.26Å; S31-G33 PolarHBondContact O-N 2.68Å; S31-F34 WeakPolarHBondContact O-CA 3.2Å; S31-F34 WeakPolarHBondContact O-CB 3.39Å; S31-F34 PolarHBondContact O-N 2.95Å; S31-T35 PolarHBondContact O-N 2.46Å; S31-T35 PolarHBondContact O-OG1 3.42Å; S31-E120 WeakPolarHBondContact CB-OE2 3.5Å; S31-E120 PolarHBondContact OG-OE1 3.46Å; S31-E120 VanDerWaalsContact OG-OE1 3.11Å; S31-E120 PolarHBondContact OG-OE2 3.07Å
32P88.3Confident91.9Very high72 Ų7243.6 Ų43.647%0.46824%0.237SC..Hα-helixtrans-52-42.7179.4-29.335.6000113.5F34 T35 A36 E120P32-F34 VanDerWaalsContact C-N 3.31Å; P32-F34 PolarHBondContact O-N 3.06Å; P32-T35 PolarHBondContact O-N 3.31Å; P32-A36 VanDerWaalsContact O-CB 3.29Å; P32-A36 WeakPolarHBondContact O-CB 3.44Å; P32-A36 PolarHBondContact O-N 3.01Å; P32-E120 WeakPolarHBondContact CD-OE2 3.47Å
33G86.3Confident91.7Very high37 Ų3747.1 Ų47.138%0.38125%0.25SS..Hα-helixtrans-67.4-30.3178.600000113.3S31 Y38S31-G33 VanDerWaalsContact C-N 3.26Å; S31-G33 PolarHBondContact O-N 2.68Å; G33-Y38 WeakPolarHBondContact O-CD2 3.3Å
34F87.8Confident91.6Very high14 Ų1445.8 Ų45.86%0.06125%0.245CC..Hα-helixtrans-73-50.9172.4174.6-100.2000111.3L27 Y29 S31 P32 A36 S37 Y38 R39 L42 L156L27-F34 HydrophobicContact CD2-CE2 4.24Å; L27-F34 HydrophobicContact CD2-CZ 3.88Å; Y29-F34 HydrophobicContact CD1-CB 3.69Å; Y29-F34 AromaticContact CD1-CD1 3.73Å; Y29-F34 HydrophobicContact CD1-CD1 3.73Å; Y29-F34 AromaticContact CD1-CD2 3.85Å; Y29-F34 HydrophobicContact CD1-CD2 3.85Å; Y29-F34 HydrophobicContact CD1-CE1 4.33Å; Y29-F34 HydrophobicContact CD1-CE2 4.45Å; Y29-F34 AromaticContact CD1-CG 3.45Å; Y29-F34 HydrophobicContact CD1-CG 3.45Å; Y29-F34 VanDerWaalsContact CD1-CG 3.45Å; Y29-F34 HydrophobicContact CE1-CB 3.66Å; Y29-F34 HydrophobicContact CE1-CD2 4.23Å; Y29-F34 AromaticContact CE1-CG 3.9Å; Y29-F34 HydrophobicContact CE1-CG 3.9Å; Y29-F34 HydrophobicContact CG-CD1 4.16Å; Y29-F34 HydrophobicContact CG-CG 4.3Å; Y29-F34 WeakPolarHBondContact O-CD1 3.28Å; S31-F34 WeakPolarHBondContact O-CA 3.2Å; S31-F34 WeakPolarHBondContact O-CB 3.39Å; S31-F34 PolarHBondContact O-N 2.95Å; P32-F34 VanDerWaalsContact C-N 3.31Å; P32-F34 PolarHBondContact O-N 3.06Å; F34-A36 VanDerWaalsContact C-N 3.34Å; F34-A36 PolarHBondContact O-N 3.36Å; F34-S37 PolarHBondContact O-N 2.88Å; F34-Y38 PolarHBondContact O-N 2.8Å; F34-R39 PolarHBondContact O-N 2.64Å; F34-L42 HydrophobicContact CZ-CD1 4.49Å; F34-L42 HydrophobicContact CZ-CD2 4.35Å; F34-L156 HydrophobicContact CE1-CD1 3.82Å; F34-L156 HydrophobicContact CZ-CD1 4.01Å
35T86.6Confident91.5Very high45 Ų4544 Ų4428%0.27624%0.239SC..Hα-helixtrans-59.6-43.7-176.7-570000111.6S31 P32 S37S31-T35 PolarHBondContact O-N 2.46Å; S31-T35 PolarHBondContact O-OG1 3.42Å; P32-T35 PolarHBondContact O-N 3.31Å; T35-S37 PolarHBondContact O-N 2.92Å
36A84.8Confident91.5Very high83 Ų8344.1 Ų44.169%0.68624%0.239SC*.Hα-helixtrans-71.9-23.1-176.300000114.9P32 F34P32-A36 VanDerWaalsContact O-CB 3.29Å; P32-A36 WeakPolarHBondContact O-CB 3.44Å; P32-A36 PolarHBondContact O-N 3.01Å; F34-A36 VanDerWaalsContact C-N 3.34Å; F34-A36 PolarHBondContact O-N 3.36Å
37S84.6Confident91.4Very high62 Ų6244.2 Ų44.243%0.43424%0.239SC..Hα-helixtrans-134.4-21.1-165.3-71.50000116F34 T35 K41F34-S37 PolarHBondContact O-N 2.88Å; T35-S37 PolarHBondContact O-N 2.92Å; S37-K41 WeakPolarHBondContact O-CD 3.28Å; S37-K41 WeakPolarHBondContact O-CE 3.14Å; S37-K41 PolarHBondContact O-NZ 3.08Å
38Y85.1Confident91.4Very high120 Ų12047.2 Ų47.247%0.47126%0.255SS..THydrogen-bonded Turntrans-125.2-17.4-169-63.3-79.7000114.1G33 F34 D40 K41 L42G33-Y38 WeakPolarHBondContact O-CD2 3.3Å; F34-Y38 PolarHBondContact O-N 2.8Å; Y38-D40 PolarHBondContact O-N 3.07Å; Y38-K41 CarbonylContact O-C 3.57Å; Y38-K41 PolarHBondContact O-N 2.78Å; Y38-K41 VanDerWaalsContact O-N 3.14Å; Y38-L42 PolarHBondContact O-N 3.43Å; Y38-L42 VanDerWaalsContact O-N 3.13Å
39R87.5Confident91.4Very high82 Ų8248 Ų4831%0.30926%0.259SS..G310 helixtrans-49.2-57.3-178.7179.5172-172.3-84.43.3112.8F34 K41 L42 D153 L156F34-R39 PolarHBondContact O-N 2.64Å; R39-K41 PolarHBondContact O-N 3.49Å; R39-L42 VanDerWaalsContact O-CB 3.27Å; R39-L42 WeakPolarHBondContact O-CB 3.23Å; R39-L42 PolarHBondContact O-N 3.01Å; R39-L42 VanDerWaalsContact O-N 3.16Å; R39-D153 PolarHBondContact NE-O 3.44Å; R39-D153 PolarHBondContact NH2-O 3.22Å; R39-L156 HydrophobicContact CG-CD1 3.85Å; R39-L156 HydrophobicContact CG-CD2 4.15Å
40D88.3Confident91.5Very high125 Ų12552.4 Ų52.467%0.66828%0.283SS*.G310 helixtrans-76.1-13.6-174.5-52.5-36.3000113.2Y38 R43Y38-D40 PolarHBondContact O-N 3.07Å; D40-R43 PolarHBondContact O-NH1 2.75Å
41K89.8Confident91.8Very high142 Ų14252.3 Ų52.362%0.61728%0.283SS*.G310 helixtrans-90.6-5.9176.3-59.4173.6-171.5153.10112.2S37 Y38 R39 R43S37-K41 WeakPolarHBondContact O-CD 3.28Å; S37-K41 WeakPolarHBondContact O-CE 3.14Å; S37-K41 PolarHBondContact O-NZ 3.08Å; Y38-K41 CarbonylContact O-C 3.57Å; Y38-K41 PolarHBondContact O-N 2.78Å; Y38-K41 VanDerWaalsContact O-N 3.14Å; R39-K41 PolarHBondContact O-N 3.49Å; K41-R43 PolarHBondContact O-N 2.98Å
42L92.3Very high92Very high17 Ų1755.2 Ų55.29%0.08930%0.297CS..  trans-64.5131.8179.8-171.369.7000109.8L27 F34 Y38 R39 L156 P158L27-L42 HydrophobicContact CB-CD2 4.01Å; L27-L42 HydrophobicContact CD2-CD1 4.1Å; L27-L42 HydrophobicContact CD2-CD2 4.01Å; F34-L42 HydrophobicContact CZ-CD1 4.49Å; F34-L42 HydrophobicContact CZ-CD2 4.35Å; Y38-L42 PolarHBondContact O-N 3.43Å; Y38-L42 VanDerWaalsContact O-N 3.13Å; R39-L42 VanDerWaalsContact O-CB 3.27Å; R39-L42 WeakPolarHBondContact O-CB 3.23Å; R39-L42 PolarHBondContact O-N 3.01Å; R39-L42 VanDerWaalsContact O-N 3.16Å; L42-L156 HydrophobicContact CD2-CB 4.06Å; L42-L156 HydrophobicContact CD2-CD1 3.89Å; L42-P158 HydrophobicContact CB-CB 4.23Å; L42-P158 HydrophobicContact CD2-CB 3.97Å; L42-P158 HydrophobicContact CD2-CG 3.85Å; L42-P158 HydrophobicContact CG-CB 3.8Å; L42-P158 HydrophobicContact CG-CG 3.95Å; L42-P158 WeakPolarHBondContact O-CB 3.38Å
43R94.6Very high92.3Very high79 Ų7959.3 Ų59.330%0.29832%0.321SS..  trans-127.9158.5172.2-62.5-62.6179.1-93.32.6109.1D40 K41 S45 Q64 A161D40-R43 PolarHBondContact O-NH1 2.75Å; K41-R43 PolarHBondContact O-N 2.98Å; R43-S45 PolarHBondContact O-N 2.89Å; R43-Q64 HydrophobicContact CB-CB 4.47Å; R43-A161 HydrophobicContact CB-CB 4.29Å
44V96.3Very high92.6Very high6 Ų661.4 Ų61.44%0.03632%0.323CS..  trans-53.6131.5168.1175.10000108.7Y23 R24 V25 Q131 P158 P159 A161Y23-V44 HydrophobicContact CD1-CG1 4.21Å; R24-V44 WeakPolarHBondContact O-CA 3.42Å; V25-V44 HydrophobicContact CG1-CG1 4.14Å; V25-V44 HydrophobicContact CG1-CG2 4.42Å; V44-Q131 HydrophobicContact CG1-CG 4.31Å; V44-P158 HydrophobicContact CG2-CG 4.26Å; V44-P158 WeakPolarHBondContact CG2-O 3.37Å; V44-P159 PolarHBondContact N-O 2.75Å; V44-A161 WeakPolarHBondContact O-CB 3.48Å
45S96.1Very high92.8Very high0 Ų061.8 Ų61.80%033%0.331CS..EExtended strand (participates in β ladder)trans-116.4141.1178.756.40000109.6Y23 R24 R43 M61 W62Y23-S45 CarbonylContact C-O 3.52Å; Y23-S45 WeakPolarHBondContact CA-O 3.44Å; R24-S45 WeakPolarHBondContact CB-OG 3.35Å; R24-S45 VanDerWaalsContact CZ-OG 3.31Å; R24-S45 PolarHBondContact N-O 2.95Å; R24-S45 PolarHBondContact NE-OG 3.4Å; R24-S45 PolarHBondContact NH2-OG 3.49Å; R43-S45 PolarHBondContact O-N 2.89Å; S45-M61 WeakPolarHBondContact OG-CE 3.24Å; S45-W62 WeakPolarHBondContact CA-O 3.49Å; S45-W62 WeakPolarHBondContact CB-O 3.44Å
46M97.1Very high93.4Very high13 Ų1361 Ų616%0.06433%0.325CS..EExtended strand (participates in β ladder)trans-95.1141.4176.4-168.7-80.8-74.800110K21 W22 Y23 I48 M61 W62 P165K21-M46 HydrophobicContact CD-CG 4.31Å; K21-M46 HydrophobicContact CD-SD 4.33Å; K21-M46 HydrophobicContact CG-CG 4.08Å; K21-M46 HydrophobicContact CG-SD 3.89Å; W22-M46 CarbonylContact O-C 3.54Å; W22-M46 WeakPolarHBondContact O-CA 3.32Å; Y23-M46 HydrophobicContact CD1-CB 3.89Å; Y23-M46 HydrophobicContact CD1-CG 3.9Å; Y23-M46 HydrophobicContact CE1-CB 3.85Å; Y23-M46 HydrophobicContact CE1-CG 3.56Å; M46-I48 HydrophobicContact CE-CD1 4.19Å; M46-I48 HydrophobicContact CE-CG1 4.18Å; M46-I48 HydrophobicContact SD-CD1 4.33Å; M46-I48 HydrophobicContact SD-CG1 3.7Å; M46-M61 CarbonylContact O-C 3.6Å; M46-M61 WeakPolarHBondContact O-CA 3.49Å; M46-W62 HydrophobicContact CE-CD2 3.92Å; M46-W62 HydrophobicContact CE-CE3 3.34Å; M46-W62 HydrophobicContact CE-CH2 4.28Å; M46-W62 HydrophobicContact CE-CZ3 3.56Å; M46-W62 PolarHBondContact N-O 2.79Å; M46-W62 PolarHBondContact O-N 2.96Å; M46-W62 HydrophobicContact SD-CE3 3.92Å; M46-W62 HydrophobicContact SD-CZ3 4.04Å; M46-P165 HydrophobicContact CE-CB 4.25Å; M46-P165 HydrophobicContact CE-CG 3.62Å
47G97.2Very high94Very high1 Ų157.2 Ų57.21%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-131.7145.5173.500000112.1K21 W22 T60 M61K21-G47 CarbonylContact C-O 3.6Å; K21-G47 WeakPolarHBondContact CA-O 3.27Å; W22-G47 PolarHBondContact N-O 2.95Å; W22-G47 PolarHBondContact O-N 3.47Å; G47-T60 CarbonylContact C-O 3.57Å; G47-T60 WeakPolarHBondContact CA-O 3.42Å; G47-M61 VanDerWaalsContact CA-SD 3.52Å
48I98.2Very high94.6Very high69 Ų6956.1 Ų56.135%0.35428%0.283SS..EExtended strand (participates in β ladder)trans-117.5119.9168.5-60.2176.5000107.9G20 M46 L59 T60 W62G20-I48 WeakPolarHBondContact O-CA 3.49Å; M46-I48 HydrophobicContact CE-CD1 4.19Å; M46-I48 HydrophobicContact CE-CG1 4.18Å; M46-I48 HydrophobicContact SD-CD1 4.33Å; M46-I48 HydrophobicContact SD-CG1 3.7Å; I48-L59 WeakPolarHBondContact O-CA 3.19Å; I48-T60 PolarHBondContact N-O 2.96Å; I48-T60 PolarHBondContact O-N 2.89Å; I48-W62 HydrophobicContact CB-CZ3 4.25Å; I48-W62 HydrophobicContact CD1-CH2 3.98Å; I48-W62 HydrophobicContact CD1-CZ3 4.01Å; I48-W62 HydrophobicContact CG1-CH2 4.33Å; I48-W62 HydrophobicContact CG1-CZ3 3.89Å
49L97.9Very high95.2Very high16 Ų1650.7 Ų50.78%0.08426%0.262CS..EExtended strand (participates in β ladder)trans-91.4122.4172.8-72.4164.9000109.5F18 G20 V57 L59F18-L49 HydrophobicContact CD1-CD1 3.6Å; F18-L49 HydrophobicContact CE1-CD1 3.37Å; F18-L49 HydrophobicContact CZ-CD1 4.3Å; G20-L49 PolarHBondContact N-O 3.16Å; G20-L49 PolarHBondContact O-N 2.83Å; L49-V57 HydrophobicContact CB-CG1 4.05Å; L49-V57 HydrophobicContact CD2-CG1 3.53Å; L49-V57 HydrophobicContact CG-CG1 4.39Å; L49-L59 HydrophobicContact CD2-CB 3.76Å; L49-L59 HydrophobicContact CD2-CD1 3.77Å; L49-L59 HydrophobicContact CD2-CD2 4.48Å; L49-L59 HydrophobicContact CD2-CG 4.17Å; L49-L59 HydrophobicContact CG-CD1 3.95Å
50N98.1Very high95.7Very high94 Ų9448.8 Ų48.850%0.50326%0.259SS..EExtended strand (participates in β ladder)trans-117.8102.9176-170.843.9000109.6Q52 N58N50-Q52 PolarHBondContact ND2-NE2 3.26Å; N50-Q52 VanDerWaalsContact ND2-NE2 3.1Å; N50-Q52 PolarHBondContact O-NE2 3.41Å; N50-N58 PolarHBondContact N-O 2.89Å; N50-N58 PolarHBondContact O-N 2.81Å
51P97.7Very high96.1Very high21 Ų2143.2 Ų43.214%0.13623%0.229CC..EExtended strand (participates in β ladder)trans-58.2141.7171.6-22.833.8000111.4L15 A19L15-P51 HydrophobicContact CD1-CG 4.16Å; L15-P51 HydrophobicContact CD2-CB 4.05Å; L15-P51 HydrophobicContact CD2-CG 4.48Å; L15-P51 HydrophobicContact CG-CB 4.06Å; L15-P51 HydrophobicContact CG-CG 3.95Å; A19-P51 HydrophobicContact CB-CG 3.59Å
52Q97.6Very high96.4Very high61 Ų6139 Ų3929%0.28521%0.21SC..  trans-102.8159.7177.3-55.3-54.7-74.100109.9N50 N54 G55 D56 N58N50-Q52 PolarHBondContact ND2-NE2 3.26Å; N50-Q52 VanDerWaalsContact ND2-NE2 3.1Å; N50-Q52 PolarHBondContact O-NE2 3.41Å; Q52-N54 VanDerWaalsContact CB-OD1 3.27Å; Q52-N54 WeakPolarHBondContact CB-OD1 3.36Å; Q52-N54 PolarHBondContact O-N 3Å; Q52-G55 PolarHBondContact O-N 3.43Å; Q52-D56 HydrophobicContact CB-CB 4.35Å; Q52-D56 WeakPolarHBondContact CB-O 3.12Å; Q52-D56 HydrophobicContact CG-CB 4.35Å; Q52-D56 PolarHBondContact N-O 3Å; Q52-N58 PolarHBondContact OE1-ND2 3.16Å
53T94.3Very high96.5Very high159 Ų15940 Ų4098%0.97522%0.216SC*.THydrogen-bonded Turntrans-62.6-28.7-179.250.80000113.1G55T53-G55 PolarHBondContact O-N 2.79Å
54N93.3Very high96.3Very high81 Ų8138.5 Ų38.543%0.43321%0.213SC..THydrogen-bonded Turntrans-79.3-4.8175.571.5-12.1000113.1Q52 D56 K78Q52-N54 VanDerWaalsContact CB-OD1 3.27Å; Q52-N54 WeakPolarHBondContact CB-OD1 3.36Å; Q52-N54 PolarHBondContact O-N 3Å; N54-D56 PolarHBondContact ND2-OD2 2.83Å; N54-D56 VanDerWaalsContact OD1-CB 3.3Å; N54-D56 WeakPolarHBondContact OD1-CB 3.37Å; N54-D56 PolarHBondContact OD1-N 2.99Å; N54-K78 WeakPolarHBondContact O-CD 3.45Å; N54-K78 WeakPolarHBondContact O-CE 3.4Å; N54-K78 PolarHBondContact O-NZ 3.3Å
55G92.8Very high95.8Very high21 Ų2145.4 Ų45.422%0.21624%0.238CC..SBendtrans92.3-4.3-178.400000115.2Q52 T53Q52-G55 PolarHBondContact O-N 3.43Å; T53-G55 PolarHBondContact O-N 2.79Å
56D97.4Very high95.2Very high29 Ų2951.6 Ų51.616%0.15528%0.281CS..  trans-69.7170.3169.9-63.7-19.3000110.8Q52 N54 Y76 E77 K78Q52-D56 HydrophobicContact CB-CB 4.35Å; Q52-D56 WeakPolarHBondContact CB-O 3.12Å; Q52-D56 HydrophobicContact CG-CB 4.35Å; Q52-D56 PolarHBondContact N-O 3Å; N54-D56 PolarHBondContact ND2-OD2 2.83Å; N54-D56 VanDerWaalsContact OD1-CB 3.3Å; N54-D56 WeakPolarHBondContact OD1-CB 3.37Å; N54-D56 PolarHBondContact OD1-N 2.99Å; D56-Y76 CarbonylContact C-O 3.53Å; D56-Y76 WeakPolarHBondContact CA-O 3.31Å; D56-Y76 WeakPolarHBondContact CB-O 3.44Å; D56-E77 WeakPolarHBondContact OD1-CA 3.24Å; D56-K78 PolarHBondContact OD1-N 3.21Å
57V98Very high94.7Very high4 Ų455.2 Ų55.22%0.02430%0.304CS..EExtended strand (participates in β ladder)trans-133.5126.4-179.4-169.10000110.5L15 L49 Y76 F85L15-V57 HydrophobicContact CD1-CG2 3.54Å; L15-V57 HydrophobicContact CD2-CG2 3.89Å; L15-V57 HydrophobicContact CG-CG2 4.34Å; L49-V57 HydrophobicContact CB-CG1 4.05Å; L49-V57 HydrophobicContact CD2-CG1 3.53Å; L49-V57 HydrophobicContact CG-CG1 4.39Å; V57-Y76 PolarHBondContact N-O 3.32Å; V57-Y76 WeakPolarHBondContact O-CB 3.27Å; V57-Y76 PolarHBondContact O-N 2.75Å; V57-F85 HydrophobicContact CG2-CD1 4.29Å; V57-F85 HydrophobicContact CG2-CE1 3.64Å; V57-F85 HydrophobicContact CG2-CZ 4.09Å
58N98.3Very high94.3Very high39 Ų3956.8 Ų56.821%0.20932%0.321CS..EExtended strand (participates in β ladder)trans-91.3120169.1-81-30.2000109.2N50 Q52 L73 T75N50-N58 PolarHBondContact N-O 2.89Å; N50-N58 PolarHBondContact O-N 2.81Å; Q52-N58 PolarHBondContact OE1-ND2 3.16Å; N58-L73 HydrophobicContact CB-CD1 3.99Å; N58-T75 PolarHBondContact OD1-OG1 2.97Å
59L97.8Very high94Very high6 Ų655.3 Ų55.33%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-107.6112.5174.117361.8000109.7I48 L49 M61 L73 Y74 Y76I48-L59 WeakPolarHBondContact O-CA 3.19Å; L49-L59 HydrophobicContact CD2-CB 3.76Å; L49-L59 HydrophobicContact CD2-CD1 3.77Å; L49-L59 HydrophobicContact CD2-CD2 4.48Å; L49-L59 HydrophobicContact CD2-CG 4.17Å; L49-L59 HydrophobicContact CG-CD1 3.95Å; L59-M61 HydrophobicContact CD1-CG 4.07Å; L59-M61 HydrophobicContact CD1-SD 3.88Å; L59-M61 HydrophobicContact CD2-CG 3.77Å; L59-M61 HydrophobicContact CD2-SD 3.98Å; L59-M61 HydrophobicContact CG-CG 3.78Å; L59-M61 HydrophobicContact CG-SD 4.16Å; L59-L73 CarbonylContact O-C 3.56Å; L59-L73 WeakPolarHBondContact O-CA 3.45Å; L59-Y74 HydrophobicContact CD2-CD2 4.4Å; L59-Y74 HydrophobicContact CG-CD2 4.46Å; L59-Y74 PolarHBondContact N-O 3.16Å; L59-Y74 PolarHBondContact O-N 3.14Å; L59-Y76 HydrophobicContact CB-CE2 4.28Å; L59-Y76 HydrophobicContact CD2-CE2 3.78Å; L59-Y76 VanDerWaalsContact CD2-OH 3.23Å; L59-Y76 WeakPolarHBondContact CD2-OH 3.41Å
60T97.8Very high93.7Very high41 Ų4161.4 Ų61.425%0.25234%0.338SS..EExtended strand (participates in β ladder)trans-94.7120.9167.1-54.60000109G47 I48 W62G47-T60 CarbonylContact C-O 3.57Å; G47-T60 WeakPolarHBondContact CA-O 3.42Å; I48-T60 PolarHBondContact N-O 2.96Å; I48-T60 PolarHBondContact O-N 2.89Å; T60-W62 HydrophobicContact CG2-CD2 4.32Å; T60-W62 HydrophobicContact CG2-CE3 4.1Å; T60-W62 HydrophobicContact CG2-CH2 3.29Å; T60-W62 HydrophobicContact CG2-CZ2 3.53Å; T60-W62 HydrophobicContact CG2-CZ3 3.59Å; T60-W62 WeakPolarHBondContact O-CZ3 3.41Å
61M96.1Very high93.5Very high9 Ų960.7 Ų60.74%0.04434%0.34CS..EExtended strand (participates in β ladder)trans-110.8133.8177.6-71.3-72.3-62.300111.1S45 M46 G47 L59 S71 K72 Y74S45-M61 WeakPolarHBondContact OG-CE 3.24Å; M46-M61 CarbonylContact O-C 3.6Å; M46-M61 WeakPolarHBondContact O-CA 3.49Å; G47-M61 VanDerWaalsContact CA-SD 3.52Å; L59-M61 HydrophobicContact CD1-CG 4.07Å; L59-M61 HydrophobicContact CD1-SD 3.88Å; L59-M61 HydrophobicContact CD2-CG 3.77Å; L59-M61 HydrophobicContact CD2-SD 3.98Å; L59-M61 HydrophobicContact CG-CG 3.78Å; L59-M61 HydrophobicContact CG-SD 4.16Å; M61-S71 CarbonylContact O-C 3.6Å; M61-S71 WeakPolarHBondContact O-CA 3.5Å; M61-K72 PolarHBondContact N-O 2.81Å; M61-K72 PolarHBondContact O-N 3.42Å; M61-Y74 HydrophobicContact CB-CE2 4.04Å; M61-Y74 HydrophobicContact CG-CD2 4.16Å; M61-Y74 HydrophobicContact CG-CE2 3.9Å
62W96.6Very high93.4Very high54 Ų5463.4 Ų63.421%0.20535%0.35CS..EExtended strand (participates in β ladder)trans-106.5125.2170.2-67.6-101000109.7S45 M46 I48 T60 R70 P165S45-W62 WeakPolarHBondContact CA-O 3.49Å; S45-W62 WeakPolarHBondContact CB-O 3.44Å; M46-W62 HydrophobicContact CE-CD2 3.92Å; M46-W62 HydrophobicContact CE-CE3 3.34Å; M46-W62 HydrophobicContact CE-CH2 4.28Å; M46-W62 HydrophobicContact CE-CZ3 3.56Å; M46-W62 PolarHBondContact N-O 2.79Å; M46-W62 PolarHBondContact O-N 2.96Å; M46-W62 HydrophobicContact SD-CE3 3.92Å; M46-W62 HydrophobicContact SD-CZ3 4.04Å; I48-W62 HydrophobicContact CB-CZ3 4.25Å; I48-W62 HydrophobicContact CD1-CH2 3.98Å; I48-W62 HydrophobicContact CD1-CZ3 4.01Å; I48-W62 HydrophobicContact CG1-CH2 4.33Å; I48-W62 HydrophobicContact CG1-CZ3 3.89Å; T60-W62 HydrophobicContact CG2-CD2 4.32Å; T60-W62 HydrophobicContact CG2-CE3 4.1Å; T60-W62 HydrophobicContact CG2-CH2 3.29Å; T60-W62 HydrophobicContact CG2-CZ2 3.53Å; T60-W62 HydrophobicContact CG2-CZ3 3.59Å; T60-W62 WeakPolarHBondContact O-CZ3 3.41Å; W62-R70 CarbonylContact C-O 3.54Å; W62-R70 WeakPolarHBondContact CA-O 3.45Å; W62-P165 HydrophobicContact CB-CB 4.21Å; W62-P165 HydrophobicContact CD2-CB 4.3Å; W62-P165 HydrophobicContact CG-CB 3.84Å
63T93.4Very high93.3Very high37 Ų3765.2 Ų65.223%0.22736%0.361CS..EExtended strand (participates in β ladder)trans-130.5131-178.8-54.50000110.1R70T63-R70 PolarHBondContact N-O 2.88Å; T63-R70 PolarHBondContact O-N 3.45Å
64Q91.6Very high93.4Very high47 Ų4760.7 Ų60.722%0.2233%0.326CS..EExtended strand (participates in β ladder)trans-72.1129173.2-173158.1-54.400109.8R43 A161 C164R43-Q64 HydrophobicContact CB-CB 4.47Å; Q64-A161 HydrophobicContact CB-CB 4.12Å; Q64-C164 HydrophobicContact CB-CB 4.01Å; Q64-C164 PolarHBondContact N-SG 3.19Å; Q64-C164 VanDerWaalsContact N-SG 3.4Å
65R85.6Confident93.6Very high152 Ų15260.2 Ų60.257%0.57433%0.326SS*.EExtended strand (participates in β ladder)trans-123.9170.3171.8-61.7-166.8176.9-138.4-0.9109.5T67 G68 R70R65-T67 PolarHBondContact O-N 2.8Å; R65-G68 PolarHBondContact N-O 2.97Å; R65-G68 PolarHBondContact O-N 3.1Å; R65-R70 HydrophobicContact CG-CG 4.4Å
66S83.1Confident93.9Very high130 Ų13059.9 Ų59.991%0.90932%0.319SS*.THydrogen-bonded Turntrans-56.7-32.917351.10000112.6G68S66-G68 PolarHBondContact O-N 2.91Å
67T85.6Confident93.9Very high89 Ų8963 Ų6355%0.54633%0.333SS..THydrogen-bonded Turntrans-84.515.8176.7720000113.4R65 R70R65-T67 PolarHBondContact O-N 2.8Å; T67-R70 PolarHBondContact OG1-NE 2.78Å
68G88.6Confident93.9Very high34 Ų3468.6 Ų68.635%0.35136%0.356SS..EExtended strand (participates in β ladder)trans96.4-173.1-174.600000114.9R65 S66R65-G68 PolarHBondContact N-O 2.97Å; R65-G68 PolarHBondContact O-N 3.1Å; S66-G68 PolarHBondContact O-N 2.91Å
69C92.8Very high93.8Very high37 Ų3769.2 Ų69.225%0.2536%0.362CS..EExtended strand (participates in β ladder)trans-73.3130.9-179.3-174.10000111.1C164 P166C69-C164 HydrophobicContact CB-CB 3.63Å; C69-C164 WeakPolarHBondContact CB-SG 3.36Å; C69-C164 WeakPolarHBondContact SG-CA 3.3Å; C69-C164 WeakPolarHBondContact SG-CB 3.39Å; C69-C164 CovalentContact SG-SG 2.04Å; C69-C164 PolarHBondContact SG-SG 2.95Å; C69-P166 WeakPolarHBondContact SG-CD 3.44Å
70R92.4Very high93.8Very high144 Ų14474.1 Ų74.154%0.54340%0.403SS..EExtended strand (participates in β ladder)trans-121.3135.9176.9-64.4-64.6-171.8175.1-2.7109.9W62 T63 R65 T67W62-R70 CarbonylContact C-O 3.54Å; W62-R70 WeakPolarHBondContact CA-O 3.45Å; T63-R70 PolarHBondContact N-O 2.88Å; T63-R70 PolarHBondContact O-N 3.45Å; R65-R70 HydrophobicContact CG-CG 4.4Å; T67-R70 PolarHBondContact OG1-NE 2.78Å
71S94.1Very high93.7Very high79 Ų7976.6 Ų76.655%0.55241%0.413SS*.EExtended strand (participates in β ladder)trans-96.4151.6169600000111.1M61M61-S71 CarbonylContact O-C 3.6Å; M61-S71 WeakPolarHBondContact O-CA 3.5Å
72K94.7Very high93.7Very high79 Ų7980.2 Ų80.234%0.34344%0.438SS..EExtended strand (participates in β ladder)trans-145.5129.7169.5-178.1162175.5175.50110.1M61 Y74 T90M61-K72 PolarHBondContact N-O 2.81Å; M61-K72 PolarHBondContact O-N 3.42Å; K72-Y74 HydrophobicContact CB-CE2 4.01Å; K72-Y74 HydrophobicContact CD-CE1 4.04Å; K72-Y74 HydrophobicContact CD-CE2 4.19Å; K72-Y74 WeakPolarHBondContact CD-OH 3.11Å; K72-Y74 HydrophobicContact CG-CD2 4.35Å; K72-Y74 HydrophobicContact CG-CE1 4.32Å; K72-Y74 HydrophobicContact CG-CE2 3.8Å; K72-T90 PolarHBondContact NZ-OG1 2.93Å
73L96Very high93.7Very high98 Ų9877.7 Ų77.751%0.51343%0.429SS..EExtended strand (participates in β ladder)trans-84.7137.1170.7-179.263.6000109.8N58 L59N58-L73 HydrophobicContact CB-CD1 3.99Å; L59-L73 CarbonylContact O-C 3.56Å; L59-L73 WeakPolarHBondContact O-CA 3.45Å
74Y96.3Very high94Very high64 Ų6476.7 Ų76.725%0.25142%0.424SS..EExtended strand (participates in β ladder)trans-125.2134.8169.1-57.9-93.4000108.5L59 M61 K72 Y76 Y87L59-Y74 HydrophobicContact CD2-CD2 4.4Å; L59-Y74 HydrophobicContact CG-CD2 4.46Å; L59-Y74 PolarHBondContact N-O 3.16Å; L59-Y74 PolarHBondContact O-N 3.14Å; M61-Y74 HydrophobicContact CB-CE2 4.04Å; M61-Y74 HydrophobicContact CG-CD2 4.16Å; M61-Y74 HydrophobicContact CG-CE2 3.9Å; K72-Y74 HydrophobicContact CB-CE2 4.01Å; K72-Y74 HydrophobicContact CD-CE1 4.04Å; K72-Y74 HydrophobicContact CD-CE2 4.19Å; K72-Y74 WeakPolarHBondContact CD-OH 3.11Å; K72-Y74 HydrophobicContact CG-CD2 4.35Å; K72-Y74 HydrophobicContact CG-CE1 4.32Å; K72-Y74 HydrophobicContact CG-CE2 3.8Å; Y74-Y76 HydrophobicContact CG-CE1 4.29Å; Y74-Y87 HydrophobicContact CD1-CD2 4.2Å; Y74-Y87 HydrophobicContact CD1-CE2 4.19Å; Y74-Y87 HydrophobicContact CE1-CE2 4.48Å
75T97.3Very high94.3Very high71 Ų7175.1 Ų75.144%0.43642%0.416SS..EExtended strand (participates in β ladder)trans-100.8118.9172-56.70000108.2N58 Y87N58-T75 PolarHBondContact OD1-OG1 2.97Å; T75-Y87 WeakPolarHBondContact O-CB 3.35Å
76Y97.9Very high94.9Very high14 Ų1469.7 Ų69.76%0.05540%0.4CS..EExtended strand (participates in β ladder)trans-103.2113.7177.3-67.4-3.7000107.9D56 V57 L59 Y74 T86 Y87 I98 K113D56-Y76 CarbonylContact C-O 3.53Å; D56-Y76 WeakPolarHBondContact CA-O 3.31Å; D56-Y76 WeakPolarHBondContact CB-O 3.44Å; V57-Y76 PolarHBondContact N-O 3.32Å; V57-Y76 WeakPolarHBondContact O-CB 3.27Å; V57-Y76 PolarHBondContact O-N 2.75Å; L59-Y76 HydrophobicContact CB-CE2 4.28Å; L59-Y76 HydrophobicContact CD2-CE2 3.78Å; L59-Y76 VanDerWaalsContact CD2-OH 3.23Å; L59-Y76 WeakPolarHBondContact CD2-OH 3.41Å; Y74-Y76 HydrophobicContact CG-CE1 4.29Å; Y76-T86 CarbonylContact C-O 3.53Å; Y76-T86 WeakPolarHBondContact CA-O 3.29Å; Y76-Y87 HydrophobicContact CD1-CG 4.07Å; Y76-Y87 HydrophobicContact CE1-CD1 4.31Å; Y76-Y87 HydrophobicContact CE1-CD2 4.14Å; Y76-Y87 AromaticContact CE1-CG 3.84Å; Y76-Y87 HydrophobicContact CE1-CG 3.84Å; Y76-I98 HydrophobicContact CD1-CD1 3.7Å; Y76-I98 HydrophobicContact CD2-CD1 3.63Å; Y76-I98 HydrophobicContact CE1-CD1 3.43Å; Y76-I98 VanDerWaalsContact CE1-CD1 3.43Å; Y76-I98 HydrophobicContact CE2-CD1 3.35Å; Y76-I98 HydrophobicContact CG-CD1 3.8Å; Y76-K113 PolarHBondContact OH-NZ 2.81Å
77E98.3Very high95.5Very high96 Ų9664.2 Ų64.245%0.44936%0.36SS..EExtended strand (participates in β ladder)trans-81.4135.1179.8-65.8167.5176.700109.2D56 F85 T86D56-E77 WeakPolarHBondContact OD1-CA 3.24Å; E77-F85 CarbonylContact O-C 3.42Å; E77-F85 VanDerWaalsContact O-CA 3.23Å; E77-F85 WeakPolarHBondContact O-CA 3.42Å; E77-F85 WeakPolarHBondContact O-CB 3.46Å; E77-T86 PolarHBondContact N-O 2.82Å; E77-T86 PolarHBondContact O-N 3.47Å
78K97.4Very high96Very high121 Ų12165.1 Ų65.153%0.52636%0.356SS..EExtended strand (participates in β ladder)trans-65.5153.8176.372.2178.9-178.5-178.60111.1N54 D56N54-K78 WeakPolarHBondContact O-CD 3.45Å; N54-K78 WeakPolarHBondContact O-CE 3.4Å; N54-K78 PolarHBondContact O-NZ 3.3Å; D56-K78 PolarHBondContact OD1-N 3.21Å
79T97.2Very high96.2Very high52 Ų5263.8 Ų63.832%0.31934%0.342SS..  trans-112.5-179.816673.60000110.2I81 A84 T86T79-I81 PolarHBondContact O-N 2.73Å; T79-I81 PolarHBondContact OG1-N 2.94Å; T79-I81 VanDerWaalsContact OG1-N 3.16Å; T79-I81 PolarHBondContact OG1-O 3.14Å; T79-I81 VanDerWaalsContact OG1-O 3.09Å; T79-A84 HydrophobicContact CG2-CB 4.49Å; T79-A84 WeakPolarHBondContact CG2-O 3.26Å; T79-A84 PolarHBondContact N-O 3.39Å; T79-A84 WeakPolarHBondContact OG1-CB 3.22Å; T79-A84 PolarHBondContact OG1-O 3.25Å; T79-T86 HydrophobicContact CG2-CG2 4.31Å
80A96.3Very high96.1Very high108 Ų10866.2 Ų66.289%0.89336%0.356SS*.SBendtrans-66.5-16.1171.400000113.2
81I96.4Very high95.9Very high93 Ų9365.3 Ų65.348%0.47735%0.352SS..SBendtrans-106.7117.4-176.2-53.6175000108.9P9 T79 G83 A84P9-I81 HydrophobicContact CG-CG2 3.88Å; T79-I81 PolarHBondContact O-N 2.73Å; T79-I81 PolarHBondContact OG1-N 2.94Å; T79-I81 VanDerWaalsContact OG1-N 3.16Å; T79-I81 PolarHBondContact OG1-O 3.14Å; T79-I81 VanDerWaalsContact OG1-O 3.09Å; I81-G83 PolarHBondContact O-N 3.49Å; I81-A84 HydrophobicContact CB-CB 4.19Å; I81-A84 WeakPolarHBondContact O-CB 3.5Å; I81-A84 PolarHBondContact O-N 2.7Å; I81-A84 VanDerWaalsContact O-N 3.07Å
82P96.9Very high95.6Very high86 Ų8663 Ų6356%0.55833%0.333SS*.THydrogen-bonded Turntrans-54.3137.5174.1-2735.7000112.3P9 F13 A84P9-P82 WeakPolarHBondContact CB-O 3.25Å; F13-P82 HydrophobicContact CB-CB 4.25Å; F13-P82 HydrophobicContact CD1-CB 4.46Å; P82-A84 PolarHBondContact O-N 3.02Å
83G96.9Very high95.6Very high1 Ų165.5 Ų65.51%0.0135%0.349CS..THydrogen-bonded Turntrans80.2-4.1-177.400000114.5I81 V100I81-G83 PolarHBondContact O-N 3.49Å; G83-V100 PolarHBondContact O-N 3.19Å
84A97.8Very high95.5Very high15 Ų1563.4 Ų63.412%0.12434%0.336CS..EExtended strand (participates in β ladder)trans-107.1132.2167.900000111.3P9 T79 I81 P82 I98P9-A84 HydrophobicContact CG-CB 3.83Å; T79-A84 HydrophobicContact CG2-CB 4.49Å; T79-A84 WeakPolarHBondContact CG2-O 3.26Å; T79-A84 PolarHBondContact N-O 3.39Å; T79-A84 WeakPolarHBondContact OG1-CB 3.22Å; T79-A84 PolarHBondContact OG1-O 3.25Å; I81-A84 HydrophobicContact CB-CB 4.19Å; I81-A84 WeakPolarHBondContact O-CB 3.5Å; I81-A84 PolarHBondContact O-N 2.7Å; I81-A84 VanDerWaalsContact O-N 3.07Å; P82-A84 PolarHBondContact O-N 3.02Å; A84-I98 CarbonylContact C-O 3.54Å; A84-I98 WeakPolarHBondContact CA-O 3.48Å
85F98.2Very high95.4Very high15 Ų1564.4 Ų64.47%0.06635%0.349CS..EExtended strand (participates in β ladder)trans-134163.6-179.9-56.7-89.3000110.8F13 L15 V57 E77 D97 I98 V100F13-F85 HydrophobicContact CE1-CE2 4.26Å; F13-F85 HydrophobicContact CE1-CZ 4.14Å; L15-F85 HydrophobicContact CD1-CZ 4.12Å; V57-F85 HydrophobicContact CG2-CD1 4.29Å; V57-F85 HydrophobicContact CG2-CE1 3.64Å; V57-F85 HydrophobicContact CG2-CZ 4.09Å; E77-F85 CarbonylContact O-C 3.42Å; E77-F85 VanDerWaalsContact O-CA 3.23Å; E77-F85 WeakPolarHBondContact O-CA 3.42Å; E77-F85 WeakPolarHBondContact O-CB 3.46Å; F85-D97 CarbonylContact O-C 3.56Å; F85-D97 WeakPolarHBondContact O-CA 3.43Å; F85-I98 HydrophobicContact CB-CB 4.27Å; F85-I98 PolarHBondContact N-O 3.18Å; F85-I98 PolarHBondContact O-N 3.4Å; F85-V100 HydrophobicContact CE2-CG2 4.45Å
86T97.9Very high95.3Very high38 Ų3861.2 Ų61.223%0.23333%0.329CS..EExtended strand (participates in β ladder)trans-120.8153.816746.90000110.9Y76 E77 T79 V95 K96Y76-T86 CarbonylContact C-O 3.53Å; Y76-T86 WeakPolarHBondContact CA-O 3.29Å; E77-T86 PolarHBondContact N-O 2.82Å; E77-T86 PolarHBondContact O-N 3.47Å; T79-T86 HydrophobicContact CG2-CG2 4.31Å; T86-V95 HydrophobicContact CG2-CG1 4.28Å; T86-K96 CarbonylContact C-O 3.57Å; T86-K96 WeakPolarHBondContact CA-O 3.38Å
87Y96.9Very high95.3Very high14 Ų1462.1 Ų62.16%0.05534%0.335CS..EExtended strand (participates in β ladder)trans-150.4151.7170.983.9-72.7000111.6Y74 T75 Y76 S89 V95 K96 I98 K113Y74-Y87 HydrophobicContact CD1-CD2 4.2Å; Y74-Y87 HydrophobicContact CD1-CE2 4.19Å; Y74-Y87 HydrophobicContact CE1-CE2 4.48Å; T75-Y87 WeakPolarHBondContact O-CB 3.35Å; Y76-Y87 HydrophobicContact CD1-CG 4.07Å; Y76-Y87 HydrophobicContact CE1-CD1 4.31Å; Y76-Y87 HydrophobicContact CE1-CD2 4.14Å; Y76-Y87 AromaticContact CE1-CG 3.84Å; Y76-Y87 HydrophobicContact CE1-CG 3.84Å; Y87-S89 PolarHBondContact O-N 3.21Å; Y87-V95 CarbonylContact O-C 3.56Å; Y87-V95 WeakPolarHBondContact O-CA 3.47Å; Y87-K96 HydrophobicContact CD1-CB 4.05Å; Y87-K96 HydrophobicContact CE1-CB 3.62Å; Y87-K96 HydrophobicContact CE1-CD 4.29Å; Y87-K96 HydrophobicContact CE1-CG 4.46Å; Y87-K96 PolarHBondContact N-O 3.05Å; Y87-K96 PolarHBondContact O-N 3.17Å; Y87-I98 HydrophobicContact CD1-CD1 3.48Å; Y87-I98 VanDerWaalsContact CD1-CD1 3.48Å; Y87-I98 HydrophobicContact CD1-CG1 3.67Å; Y87-I98 HydrophobicContact CE1-CD1 3.95Å; Y87-I98 HydrophobicContact CE1-CG1 3.96Å; Y87-I98 HydrophobicContact CG-CD1 4.16Å; Y87-K113 HydrophobicContact CE1-CD 4.45Å
88F95.9Very high95.3Very high108 Ų10857.7 Ų57.747%0.47431%0.314SS..EExtended strand (participates in β ladder)trans-81.7116.5171.7-172.6-104.6000111.4T90 N93 V95F88-T90 HydrophobicContact CD1-CG2 4.18Å; F88-T90 HydrophobicContact CE1-CG2 4.35Å; F88-T90 PolarHBondContact O-N 3.19Å; F88-N93 WeakPolarHBondContact CZ-OD1 3.39Å; F88-V95 HydrophobicContact CD2-CG2 4.15Å
89S92.6Very high95.3Very high7 Ų752.1 Ų52.15%0.04929%0.29CS..EExtended strand (participates in β ladder)trans-8699176.4-1710000110.3Y87 R91 H92 N93 K94Y87-S89 PolarHBondContact O-N 3.21Å; S89-R91 PolarHBondContact O-N 2.91Å; S89-R91 VanDerWaalsContact O-N 3.14Å; S89-H92 CarbonylContact O-C 3.55Å; S89-H92 PolarHBondContact O-N 3.41Å; S89-H92 PolarHBondContact OG-ND1 2.96Å; S89-N93 WeakPolarHBondContact O-CA 3.5Å; S89-N93 PolarHBondContact O-N 3.39Å; S89-K94 WeakPolarHBondContact CB-O 3.33Å; S89-K94 PolarHBondContact N-O 2.88Å; S89-K94 PolarHBondContact O-N 3.39Å
90T90.8Very high95.3Very high88 Ų8849.8 Ų49.854%0.5428%0.276SS..THydrogen-bonded Turntrans-58.3-29.3176.470.60000113.4K72 F88 H92K72-T90 PolarHBondContact NZ-OG1 2.93Å; F88-T90 HydrophobicContact CD1-CG2 4.18Å; F88-T90 HydrophobicContact CE1-CG2 4.35Å; F88-T90 PolarHBondContact O-N 3.19Å; T90-H92 VanDerWaalsContact C-N 3.35Å
91R87.1Confident95.4Very high125 Ų12545.9 Ų45.947%0.47224%0.241SC..THydrogen-bonded Turntrans-66-36.4177.2174.3179.4161.3-177.8-8.7112.3Y29 S89Y29-R91 PolarHBondContact OH-NH2 3.27Å; S89-R91 PolarHBondContact O-N 2.91Å; S89-R91 VanDerWaalsContact O-N 3.14Å
92H89.6Confident95.5Very high31 Ų3144.4 Ų44.414%0.14423%0.232CC..THydrogen-bonded Turntrans-1113.6-173.9-53.5111.4000112.5Y29 S89 T90 K94 K96 Y121Y29-H92 PolarHBondContact OH-NE2 2.85Å; S89-H92 CarbonylContact O-C 3.55Å; S89-H92 PolarHBondContact O-N 3.41Å; S89-H92 PolarHBondContact OG-ND1 2.96Å; T90-H92 VanDerWaalsContact C-N 3.35Å; H92-K94 VanDerWaalsContact C-N 3.25Å; H92-K94 HydrophobicContact CB-CD 4.14Å; H92-K94 HydrophobicContact CB-CG 3.83Å; H92-K94 PolarHBondContact O-N 2.8Å; H92-K96 PolarHBondContact CE1-NZ 3.4Å; H92-K96 VanDerWaalsContact ND1-CE 3.31Å; H92-K96 WeakPolarHBondContact ND1-CE 3.41Å; H92-K96 PolarHBondContact ND1-NZ 3.07Å; H92-Y121 HydrophobicContact CB-CD1 4.17Å; H92-Y121 HydrophobicContact CB-CE1 3.93Å; H92-Y121 AromaticContact CD2-CD1 3.75Å; H92-Y121 AromaticContact CD2-CE1 3.73Å; H92-Y121 AromaticContact CG-CD1 3.79Å; H92-Y121 AromaticContact CG-CE1 3.88Å
93N93.1Very high95.6Very high130 Ų13040.6 Ų40.670%0.69521%0.207SC*.THydrogen-bonded Turntrans47.943.1-176.7-160.141.8000113.9F88 S89F88-N93 WeakPolarHBondContact CZ-OD1 3.39Å; S89-N93 WeakPolarHBondContact O-CA 3.5Å; S89-N93 PolarHBondContact O-N 3.39Å
94K94.3Very high95.6Very high54 Ų5443 Ų4324%0.23522%0.22CC..EExtended strand (participates in β ladder)trans-151.5154.2-177.364.3-178.3-82.4178.90112.8S89 H92 K96 Y121S89-K94 WeakPolarHBondContact CB-O 3.33Å; S89-K94 PolarHBondContact N-O 2.88Å; S89-K94 PolarHBondContact O-N 3.39Å; H92-K94 VanDerWaalsContact C-N 3.25Å; H92-K94 HydrophobicContact CB-CD 4.14Å; H92-K94 HydrophobicContact CB-CG 3.83Å; H92-K94 PolarHBondContact O-N 2.8Å; K94-K96 HydrophobicContact CG-CG 4.27Å; K94-Y121 HydrophobicContact CD-CD1 4.27Å; K94-Y121 HydrophobicContact CD-CD2 4.21Å; K94-Y121 HydrophobicContact CD-CE1 4.1Å; K94-Y121 HydrophobicContact CD-CE2 4.03Å; K94-Y121 HydrophobicContact CD-CG 4.32Å
95V95.4Very high95.6Very high86 Ų8643.1 Ų43.152%0.52122%0.217SC..EExtended strand (participates in β ladder)trans-71.5137.8167.1-178.30000109.6T86 Y87 F88T86-V95 HydrophobicContact CG2-CG1 4.28Å; Y87-V95 CarbonylContact O-C 3.56Å; Y87-V95 WeakPolarHBondContact O-CA 3.47Å; F88-V95 HydrophobicContact CD2-CG2 4.15Å
96K95.2Very high95.6Very high3 Ų347.9 Ų47.91%0.01324%0.243CC..EExtended strand (participates in β ladder)trans-129.1143.7174-66.2-173175.6-164.60109.8T86 Y87 H92 K94 H114 Y121T86-K96 CarbonylContact C-O 3.57Å; T86-K96 WeakPolarHBondContact CA-O 3.38Å; Y87-K96 HydrophobicContact CD1-CB 4.05Å; Y87-K96 HydrophobicContact CE1-CB 3.62Å; Y87-K96 HydrophobicContact CE1-CD 4.29Å; Y87-K96 HydrophobicContact CE1-CG 4.46Å; Y87-K96 PolarHBondContact N-O 3.05Å; Y87-K96 PolarHBondContact O-N 3.17Å; H92-K96 PolarHBondContact CE1-NZ 3.4Å; H92-K96 VanDerWaalsContact ND1-CE 3.31Å; H92-K96 WeakPolarHBondContact ND1-CE 3.41Å; H92-K96 PolarHBondContact ND1-NZ 3.07Å; K94-K96 HydrophobicContact CG-CG 4.27Å; K96-H114 HydrophobicContact CD-CB 4.44Å; K96-Y121 VanDerWaalsContact NZ-CA 3.35Å; K96-Y121 PolarHBondContact NZ-O 2.9Å
97D96.5Very high95.5Very high34 Ų3449.8 Ų49.818%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-77.7154.4168.159.8-87.1000111.5F85 K113 H114 K115F85-D97 CarbonylContact O-C 3.56Å; F85-D97 WeakPolarHBondContact O-CA 3.43Å; D97-K113 WeakPolarHBondContact O-CA 3.48Å; D97-H114 PolarHBondContact O-N 2.76Å; D97-H114 WeakPolarHBondContact OD1-CA 3.42Å; D97-H114 IonicContact OD1-ND1 3.68Å; D97-H114 VanDerWaalsContact OD2-CA 3.26Å; D97-H114 WeakPolarHBondContact OD2-CA 3.46Å; D97-H114 PolarHBondContact OD2-N 3.35Å; D97-K115 PolarHBondContact OD1-N 3.4Å; D97-K115 WeakPolarHBondContact OD2-CB 3.43Å; D97-K115 WeakPolarHBondContact OD2-CG 3.48Å; D97-K115 PolarHBondContact OD2-N 3.07Å
98I97.7Very high95.6Very high3 Ų350.2 Ų50.22%0.01525%0.251CS..EExtended strand (participates in β ladder)trans-132.9132.7173.9-54.7179.8000106.9Y76 A84 F85 Y87 V111 L112 K113Y76-I98 HydrophobicContact CD1-CD1 3.7Å; Y76-I98 HydrophobicContact CD2-CD1 3.63Å; Y76-I98 HydrophobicContact CE1-CD1 3.43Å; Y76-I98 VanDerWaalsContact CE1-CD1 3.43Å; Y76-I98 HydrophobicContact CE2-CD1 3.35Å; Y76-I98 HydrophobicContact CG-CD1 3.8Å; A84-I98 CarbonylContact C-O 3.54Å; A84-I98 WeakPolarHBondContact CA-O 3.48Å; F85-I98 HydrophobicContact CB-CB 4.27Å; F85-I98 PolarHBondContact N-O 3.18Å; F85-I98 PolarHBondContact O-N 3.4Å; Y87-I98 HydrophobicContact CD1-CD1 3.48Å; Y87-I98 VanDerWaalsContact CD1-CD1 3.48Å; Y87-I98 HydrophobicContact CD1-CG1 3.67Å; Y87-I98 HydrophobicContact CE1-CD1 3.95Å; Y87-I98 HydrophobicContact CE1-CG1 3.96Å; Y87-I98 HydrophobicContact CG-CD1 4.16Å; I98-V111 HydrophobicContact CG2-CG1 3.5Å; I98-V111 VanDerWaalsContact CG2-CG1 3.5Å; I98-L112 CarbonylContact C-O 3.58Å; I98-L112 WeakPolarHBondContact CA-O 3.46Å; I98-K113 HydrophobicContact CG1-CG 4.25Å; I98-K113 HydrophobicContact CG2-CG 4.48Å
99T98.2Very high95.7Very high4 Ų445 Ų453%0.02523%0.229CC..EExtended strand (participates in β ladder)trans-126.2118.4177.5-59.60000108.7V7 P9 V101 V111 L112V7-T99 HydrophobicContact CG1-CG2 4.3Å; P9-T99 HydrophobicContact CB-CG2 4.14Å; P9-T99 HydrophobicContact CG-CG2 3.92Å; T99-V101 HydrophobicContact CG2-CG2 4.25Å; T99-V101 PolarHBondContact O-N 2.9Å; T99-V111 CarbonylContact O-C 3.46Å; T99-V111 WeakPolarHBondContact O-CA 3.47Å; T99-L112 PolarHBondContact N-O 2.83Å; T99-L112 PolarHBondContact O-N 2.87Å
100V98.3Very high96Very high3 Ų344.9 Ų44.92%0.01823%0.227CC..EExtended strand (participates in β ladder)trans-76.399165.8-175.10000107P9 Q10 F13 F18 G83 F85 T103 V111P9-V100 CarbonylContact C-O 3.53Å; P9-V100 WeakPolarHBondContact CA-O 3.41Å; Q10-V100 PolarHBondContact N-O 2.71Å; F13-V100 HydrophobicContact CD2-CB 4.25Å; F13-V100 HydrophobicContact CD2-CG1 4.12Å; F13-V100 HydrophobicContact CE2-CB 3.98Å; F13-V100 HydrophobicContact CE2-CG1 3.78Å; F13-V100 HydrophobicContact CE2-CG2 3.98Å; F13-V100 HydrophobicContact CZ-CG2 4.15Å; F18-V100 HydrophobicContact CE1-CG2 4.01Å; F18-V100 HydrophobicContact CE2-CG1 3.92Å; F18-V100 HydrophobicContact CZ-CG1 4.03Å; F18-V100 HydrophobicContact CZ-CG2 3.95Å; G83-V100 PolarHBondContact O-N 3.19Å; F85-V100 HydrophobicContact CE2-CG2 4.45Å; V100-T103 HydrophobicContact CG1-CG2 3.9Å; V100-V111 HydrophobicContact CG2-CG2 4.45Å
101V97.8Very high96.4Very high25 Ų2541 Ų4115%0.15220%0.204CC..EExtended strand (participates in β ladder)trans-72.1-44.8-173.5-176.30000110.4V7 Q10 T99 L110 L112 F144V7-V101 HydrophobicContact CG1-CB 4.39Å; V7-V101 HydrophobicContact CG1-CG1 4Å; V7-V101 HydrophobicContact CG1-CG2 3.61Å; Q10-V101 PolarHBondContact N-O 2.87Å; T99-V101 HydrophobicContact CG2-CG2 4.25Å; T99-V101 PolarHBondContact O-N 2.9Å; V101-L110 HydrophobicContact CB-CB 4.34Å; V101-L110 PolarHBondContact N-O 2.84Å; V101-L112 HydrophobicContact CG2-CB 3.76Å; V101-F144 HydrophobicContact CB-CZ 4.48Å; V101-F144 HydrophobicContact CG1-CE2 3.72Å; V101-F144 HydrophobicContact CG1-CZ 3.9Å; V101-F144 HydrophobicContact CG2-CZ 4.01Å
102E97.9Very high96.9Very high63 Ų6335.1 Ų35.129%0.29418%0.181SC..EExtended strand (participates in β ladder)trans-156.8140.8-175.9-164.1-174.5101.600109.8Y108 A109 L110 K140E102-Y108 HydrophobicContact CG-CE2 4.49Å; E102-Y108 VanDerWaalsContact OE1-CE2 3.3Å; E102-Y108 WeakPolarHBondContact OE1-CE2 3.41Å; E102-Y108 VanDerWaalsContact OE1-CZ 3.27Å; E102-Y108 PolarHBondContact OE1-OH 2.93Å; E102-A109 CarbonylContact O-C 3.45Å; E102-A109 VanDerWaalsContact O-CA 3.23Å; E102-A109 WeakPolarHBondContact O-CA 3.45Å; E102-L110 HydrophobicContact CB-CB 4.4Å; E102-L110 HydrophobicContact CB-CD1 4.49Å; E102-L110 PolarHBondContact N-O 2.87Å; E102-L110 PolarHBondContact O-N 2.83Å; E102-K140 WeakPolarHBondContact OE1-CD 3.08Å; E102-K140 IonicContact OE1-NZ 2.68Å; E102-K140 PolarHBondContact OE1-NZ 2.91Å; E102-K140 IonicContact OE2-NZ 3.69Å
103T98.4Very high97.2Very high6 Ų634.5 Ų34.54%0.03718%0.178CC..EExtended strand (participates in β ladder)trans-161.4135175.7-1750000110.1Q10 F13 F18 V100 Y105 Y108Q10-T103 PolarHBondContact NE2-O 3.14Å; Q10-T103 PolarHBondContact OE1-O 2.86Å; F13-T103 HydrophobicContact CD2-CG2 4.28Å; F13-T103 HydrophobicContact CE2-CG2 4.22Å; F18-T103 HydrophobicContact CD2-CG2 3.87Å; F18-T103 HydrophobicContact CE2-CG2 3.99Å; V100-T103 HydrophobicContact CG1-CG2 3.9Å; T103-Y105 VanDerWaalsContact C-N 3.26Å; T103-Y105 HydrophobicContact CG2-CD1 3.9Å; T103-Y105 HydrophobicContact CG2-CE1 3.74Å; T103-Y105 HydrophobicContact CG2-CG 4.47Å; T103-Y105 PolarHBondContact OG1-N 3.13Å; T103-Y108 WeakPolarHBondContact CA-O 3.48Å; T103-Y108 WeakPolarHBondContact CB-O 3.36Å; T103-Y108 PolarHBondContact OG1-O 3.49Å
104N97.9Very high97.2Very high52 Ų5228.8 Ų28.828%0.27815%0.147SC..  trans-93.411.4166.470.30.5000112.2N106 E107 Y108N104-N106 PolarHBondContact O-N 2.94Å; N104-N106 PolarHBondContact OD1-N 3.39Å; N104-E107 PolarHBondContact ND2-OE2 3.4Å; N104-E107 WeakPolarHBondContact OD1-CA 3.49Å; N104-E107 WeakPolarHBondContact OD1-CB 3.39Å; N104-E107 PolarHBondContact OD1-N 3.32Å; N104-Y108 HydrophobicContact CB-CE1 4.34Å; N104-Y108 PolarHBondContact N-O 3.26Å; N104-Y108 PolarHBondContact OD1-N 3.21Å; N104-Y108 VanDerWaalsContact OD1-N 3.1Å
105Y98.3Very high97Very high17 Ų1730 Ų307%0.06715%0.152CC..SBendtrans64.4-30-179.5-49.4-78.9000115.9Q10 D12 F13 D14 R17 F18 W22 T103 R129Q10-Y105 VanDerWaalsContact NE2-CZ 3.25Å; Q10-Y105 PolarHBondContact NE2-OH 2.86Å; D12-Y105 PolarHBondContact O-OH 3.24Å; F13-Y105 WeakPolarHBondContact CA-OH 3.43Å; F13-Y105 HydrophobicContact CD2-CE1 4.34Å; F13-Y105 HydrophobicContact CE2-CE1 4.42Å; D14-Y105 HydrophobicContact CB-CE1 4.21Å; D14-Y105 PolarHBondContact N-OH 3.24Å; D14-Y105 WeakPolarHBondContact O-CE1 3.32Å; R17-Y105 HydrophobicContact CB-CD1 3.69Å; R17-Y105 HydrophobicContact CB-CE1 4.17Å; R17-Y105 HydrophobicContact CB-CG 3.91Å; F18-Y105 HydrophobicContact CB-CD1 4.27Å; F18-Y105 HydrophobicContact CB-CE1 4.49Å; F18-Y105 HydrophobicContact CD2-CD1 4.38Å; W22-Y105 WeakPolarHBondContact CH2-O 3.15Å; T103-Y105 VanDerWaalsContact C-N 3.26Å; T103-Y105 HydrophobicContact CG2-CD1 3.9Å; T103-Y105 HydrophobicContact CG2-CE1 3.74Å; T103-Y105 HydrophobicContact CG2-CG 4.47Å; T103-Y105 PolarHBondContact OG1-N 3.13Å; Y105-R129 VanDerWaalsContact O-CZ 3.3Å; Y105-R129 PolarHBondContact O-NE 3.26Å; Y105-R129 PolarHBondContact O-NH2 3.05Å
106N97.1Very high96.7Very high114 Ų11434 Ų3461%0.6116%0.163SC*.SBendtrans-106.3-21.2-167.1-61.8-21.8000113.6N104 R129N104-N106 PolarHBondContact O-N 2.94Å; N104-N106 PolarHBondContact OD1-N 3.39Å; N106-R129 VanDerWaalsContact C-CG 3.46Å; N106-R129 WeakPolarHBondContact O-CB 3.26Å; N106-R129 WeakPolarHBondContact O-CG 3.22Å
107E97.2Very high96.4Very high78 Ų7835.9 Ų35.936%0.36417%0.172SC..SBendtrans-124.4-48.7-177.5-60.5179.812200111.7N104 G128 R129 K134N104-E107 PolarHBondContact ND2-OE2 3.4Å; N104-E107 WeakPolarHBondContact OD1-CA 3.49Å; N104-E107 WeakPolarHBondContact OD1-CB 3.39Å; N104-E107 PolarHBondContact OD1-N 3.32Å; E107-G128 CarbonylContact O-C 3.59Å; E107-G128 VanDerWaalsContact O-CA 3.27Å; E107-G128 WeakPolarHBondContact O-CA 3.41Å; E107-R129 PolarHBondContact O-N 2.84Å; E107-K134 VanDerWaalsContact OE1-CE 3.31Å; E107-K134 WeakPolarHBondContact OE1-CE 3.09Å; E107-K134 IonicContact OE1-NZ 2.71Å; E107-K134 PolarHBondContact OE1-NZ 2.86Å
108Y98.6Very high96.1Very high23 Ų2337.3 Ų37.39%0.0918%0.18CC..EExtended strand (participates in β ladder)trans-148.1167.4-174.576-82.6000114.6E102 T103 N104 L126 Y127 V137 K140E102-Y108 HydrophobicContact CG-CE2 4.49Å; E102-Y108 VanDerWaalsContact OE1-CE2 3.3Å; E102-Y108 WeakPolarHBondContact OE1-CE2 3.41Å; E102-Y108 VanDerWaalsContact OE1-CZ 3.27Å; E102-Y108 PolarHBondContact OE1-OH 2.93Å; T103-Y108 WeakPolarHBondContact CA-O 3.48Å; T103-Y108 WeakPolarHBondContact CB-O 3.36Å; T103-Y108 PolarHBondContact OG1-O 3.49Å; N104-Y108 HydrophobicContact CB-CE1 4.34Å; N104-Y108 PolarHBondContact N-O 3.26Å; N104-Y108 PolarHBondContact OD1-N 3.21Å; N104-Y108 VanDerWaalsContact OD1-N 3.1Å; Y108-L126 HydrophobicContact CD2-CD1 4.31Å; Y108-Y127 CarbonylContact C-O 3.56Å; Y108-Y127 WeakPolarHBondContact CA-O 3.45Å; Y108-Y127 WeakPolarHBondContact CB-O 3.49Å; Y108-V137 HydrophobicContact CD1-CG1 4Å; Y108-V137 HydrophobicContact CD1-CG2 3.81Å; Y108-V137 HydrophobicContact CD2-CG1 3.92Å; Y108-V137 HydrophobicContact CE1-CG2 4.18Å; Y108-V137 HydrophobicContact CG-CG1 3.55Å; Y108-V137 HydrophobicContact CG-CG2 4.24Å; Y108-K140 HydrophobicContact CE2-CD 4.24Å; Y108-K140 PolarHBondContact OH-NZ 2.88Å
109A98.7Very high95.7Very high0 Ų044.2 Ų44.20%021%0.206CC..EExtended strand (participates in β ladder)trans-147.1138.2166.500000111.6F18 W22 E102 V111 Y127F18-A109 HydrophobicContact CE2-CB 3.51Å; F18-A109 HydrophobicContact CZ-CB 3.92Å; W22-A109 HydrophobicContact CH2-CB 4.2Å; W22-A109 HydrophobicContact CZ3-CB 4.28Å; E102-A109 CarbonylContact O-C 3.45Å; E102-A109 VanDerWaalsContact O-CA 3.23Å; E102-A109 WeakPolarHBondContact O-CA 3.45Å; A109-V111 HydrophobicContact CB-CG2 4.5Å; A109-Y127 PolarHBondContact N-O 3.02Å; A109-Y127 PolarHBondContact O-N 2.97Å
110L98.4Very high95.3Very high3 Ų347 Ų472%0.01622%0.219CC..EExtended strand (participates in β ladder)trans-99.4123.5167.3-69.4175.2000108.9V101 E102 L126 K140 F141 F144V101-L110 HydrophobicContact CB-CB 4.34Å; V101-L110 PolarHBondContact N-O 2.84Å; E102-L110 HydrophobicContact CB-CB 4.4Å; E102-L110 HydrophobicContact CB-CD1 4.49Å; E102-L110 PolarHBondContact N-O 2.87Å; E102-L110 PolarHBondContact O-N 2.83Å; L110-L126 HydrophobicContact CD2-CB 4.28Å; L110-L126 HydrophobicContact CD2-CD1 3.78Å; L110-L126 HydrophobicContact CG-CD1 4.49Å; L110-K140 HydrophobicContact CD1-CD 4.13Å; L110-K140 HydrophobicContact CD1-CG 4.1Å; L110-F141 HydrophobicContact CD2-CB 3.77Å; L110-F141 HydrophobicContact CD2-CD2 3.94Å; L110-F141 HydrophobicContact CD2-CG 4.33Å; L110-F144 HydrophobicContact CD1-CB 4.46Å
111V98.3Very high95Very high8 Ų849.8 Ų49.85%0.04823%0.229CC..EExtended strand (participates in β ladder)trans-125.3123.2-177.81800000109.1F18 I98 T99 V100 A109 V124 A125 Y127F18-V111 HydrophobicContact CZ-CG2 4.48Å; I98-V111 HydrophobicContact CG2-CG1 3.5Å; I98-V111 VanDerWaalsContact CG2-CG1 3.5Å; T99-V111 CarbonylContact O-C 3.46Å; T99-V111 WeakPolarHBondContact O-CA 3.47Å; V100-V111 HydrophobicContact CG2-CG2 4.45Å; A109-V111 HydrophobicContact CB-CG2 4.5Å; V111-V124 WeakPolarHBondContact O-CA 3.41Å; V111-A125 PolarHBondContact N-O 3.09Å; V111-A125 PolarHBondContact O-N 2.85Å; V111-Y127 HydrophobicContact CB-CD2 4.2Å; V111-Y127 HydrophobicContact CB-CE2 3.98Å; V111-Y127 HydrophobicContact CG2-CD2 3.76Å; V111-Y127 HydrophobicContact CG2-CE2 3.9Å
112L97.8Very high94.8Very high0 Ų048.7 Ų48.70%022%0.222CC..EExtended strand (participates in β ladder)trans-94.2136.5170.3178.866.3000108.8V7 I98 T99 V101 K115 M117 T122 Q123 V124V7-L112 HydrophobicContact CB-CD2 3.65Å; V7-L112 HydrophobicContact CG1-CD2 3.8Å; V7-L112 HydrophobicContact CG2-CD2 3.74Å; I98-L112 CarbonylContact C-O 3.58Å; I98-L112 WeakPolarHBondContact CA-O 3.46Å; T99-L112 PolarHBondContact N-O 2.83Å; T99-L112 PolarHBondContact O-N 2.87Å; V101-L112 HydrophobicContact CG2-CB 3.76Å; L112-K115 HydrophobicContact CD2-CB 3.9Å; L112-M117 HydrophobicContact CD1-SD 4.39Å; L112-T122 HydrophobicContact CD1-CG2 3.78Å; L112-Q123 CarbonylContact C-O 3.52Å; L112-Q123 WeakPolarHBondContact CA-O 3.33Å; L112-V124 HydrophobicContact CD1-CG2 3.84Å
113K95.6Very high94.8Very high19 Ų1947 Ų478%0.08321%0.214CC..EExtended strand (participates in β ladder)trans-116.3134.6168.9-62.8-173.1171.8-178.10108.6Y76 Y87 D97 I98 T122 Q123Y76-K113 PolarHBondContact OH-NZ 2.81Å; Y87-K113 HydrophobicContact CE1-CD 4.45Å; D97-K113 WeakPolarHBondContact O-CA 3.48Å; I98-K113 HydrophobicContact CG1-CG 4.25Å; I98-K113 HydrophobicContact CG2-CG 4.48Å; K113-T122 VanDerWaalsContact O-CA 3.29Å; K113-T122 WeakPolarHBondContact O-CA 3.32Å; K113-Q123 HydrophobicContact CB-CB 4.3Å; K113-Q123 PolarHBondContact N-O 2.81Å; K113-Q123 PolarHBondContact O-N 3.35Å
114H93.9Very high94.7Very high10 Ų1046.7 Ų46.75%0.04621%0.213CC..  trans61.176.4-179.5-163.659.8000113.3K96 D97 K116 M117 D118 Y121 T122K96-H114 HydrophobicContact CD-CB 4.44Å; D97-H114 PolarHBondContact O-N 2.76Å; D97-H114 WeakPolarHBondContact OD1-CA 3.42Å; D97-H114 IonicContact OD1-ND1 3.68Å; D97-H114 VanDerWaalsContact OD2-CA 3.26Å; D97-H114 WeakPolarHBondContact OD2-CA 3.46Å; D97-H114 PolarHBondContact OD2-N 3.35Å; H114-K116 PolarHBondContact O-N 2.95Å; H114-K116 VanDerWaalsContact O-N 3.07Å; H114-M117 PolarHBondContact O-N 2.86Å; H114-D118 WeakPolarHBondContact NE2-CB 3.42Å; H114-Y121 WeakPolarHBondContact CD2-CB 3.42Å; H114-Y121 AromaticContact NE2-CD2 3.86Å; H114-T122 PolarHBondContact CD2-OG1 3.45Å; H114-T122 WeakPolarHBondContact O-CG2 3.46Å; H114-T122 PolarHBondContact O-OG1 2.78Å
115K89.3Confident94.8Very high78 Ų7844.3 Ų44.334%0.33920%0.2SC..THydrogen-bonded Turntrans-66.3-5.3-176.573.6178.8-169145.50115.5D6 D97 L112 M117D6-K115 IonicContact OD1-NZ 3.93Å; D6-K115 PolarHBondContact OD1-NZ 2.87Å; D6-K115 IonicContact OD2-NZ 2.73Å; D6-K115 PolarHBondContact OD2-NZ 3.04Å; D97-K115 PolarHBondContact OD1-N 3.4Å; D97-K115 WeakPolarHBondContact OD2-CB 3.43Å; D97-K115 WeakPolarHBondContact OD2-CG 3.48Å; D97-K115 PolarHBondContact OD2-N 3.07Å; L112-K115 HydrophobicContact CD2-CB 3.9Å; K115-M117 PolarHBondContact O-N 3.23Å
116K89.1Confident94.8Very high172 Ų17243.6 Ų43.675%0.74820%0.198SC*.THydrogen-bonded Turntrans-69.8-2.6170.7-68.1-167.8175.8-172.90113.8H114 D118H114-K116 PolarHBondContact O-N 2.95Å; H114-K116 VanDerWaalsContact O-N 3.07Å; K116-D118 PolarHBondContact O-N 3.48Å
117M89.3Confident94.8Very high42 Ų4239 Ų3921%0.20717%0.172CC..  trans56.735176.7-55.9-53.1-61.900113.6H4 L112 H114 K115 T122 H148 F150H4-M117 HydrophobicContact CB-CG 4.01Å; L112-M117 HydrophobicContact CD1-SD 4.39Å; H114-M117 PolarHBondContact O-N 2.86Å; K115-M117 PolarHBondContact O-N 3.23Å; M117-T122 VanDerWaalsContact CA-OG1 3.24Å; M117-T122 WeakPolarHBondContact CA-OG1 3.26Å; M117-T122 HydrophobicContact CE-CG2 4.02Å; M117-T122 PolarHBondContact N-OG1 2.73Å; M117-T122 HydrophobicContact SD-CG2 3.76Å; M117-H148 HydrophobicContact CE-CB 3.73Å; M117-H148 WeakPolarHBondContact CE-O 3.13Å; M117-F150 HydrophobicContact CE-CE2 4.08Å
118D90.6Very high94.9Very high63 Ų6335.3 Ų35.334%0.33716%0.155SC..  trans-78.4120.7172.6-178.5-51000109.6H114 K116 E120 Y121 T122H114-D118 WeakPolarHBondContact NE2-CB 3.42Å; K116-D118 PolarHBondContact O-N 3.48Å; D118-E120 PolarHBondContact O-N 3.11Å; D118-E120 VanDerWaalsContact O-N 3.12Å; D118-E120 WeakPolarHBondContact OD1-CB 3.29Å; D118-E120 PolarHBondContact OD1-N 2.78Å; D118-Y121 HydrophobicContact CB-CD2 3.98Å; D118-Y121 PolarHBondContact O-N 2.88Å; D118-Y121 WeakPolarHBondContact OD1-CD2 3.36Å; D118-Y121 WeakPolarHBondContact OD2-CD2 3.28Å; D118-T122 PolarHBondContact N-OG1 3.22Å; D118-T122 VanDerWaalsContact O-CB 3.26Å; D118-T122 WeakPolarHBondContact O-CB 3.42Å; D118-T122 PolarHBondContact O-N 2.82Å; D118-T122 PolarHBondContact O-OG1 3.43Å
119R88.7Confident94.8Very high149 Ų14937.3 Ų37.356%0.56216%0.162SC*.THydrogen-bonded Turntrans-51.6-37.2-177-173.6-178.7-177-159-2113.9D30 Y121D30-R119 HydrophobicContact CB-CG 4.41Å; D30-R119 WeakPolarHBondContact O-CG 3.35Å; D30-R119 PolarHBondContact O-NE 2.96Å; D30-R119 IonicContact OD1-NE 3.26Å; D30-R119 IonicContact OD1-NH2 3.22Å; D30-R119 PolarHBondContact OD1-NH2 3.12Å; D30-R119 IonicContact OD2-CZ 3.32Å; D30-R119 VanDerWaalsContact OD2-CZ 3.26Å; D30-R119 IonicContact OD2-NE 2.82Å; D30-R119 PolarHBondContact OD2-NE 2.71Å; D30-R119 IonicContact OD2-NH2 3.01Å; D30-R119 PolarHBondContact OD2-NH2 2.7Å; R119-Y121 VanDerWaalsContact C-N 3.3Å; R119-Y121 PolarHBondContact O-N 2.94Å
120E89.8Confident94.7Very high63 Ų6340 Ų4029%0.29418%0.181SC..THydrogen-bonded Turntrans-74.5-25.2-177.7-179.454-156.500111.9Y29 S31 P32 D118Y29-E120 VanDerWaalsContact CE2-O 3.28Å; Y29-E120 WeakPolarHBondContact CE2-O 3.37Å; Y29-E120 PolarHBondContact OH-O 3.09Å; S31-E120 WeakPolarHBondContact CB-OE2 3.5Å; S31-E120 PolarHBondContact OG-OE1 3.46Å; S31-E120 VanDerWaalsContact OG-OE1 3.11Å; S31-E120 PolarHBondContact OG-OE2 3.07Å; P32-E120 WeakPolarHBondContact CD-OE2 3.47Å; D118-E120 PolarHBondContact O-N 3.11Å; D118-E120 VanDerWaalsContact O-N 3.12Å; D118-E120 WeakPolarHBondContact OD1-CB 3.29Å; D118-E120 PolarHBondContact OD1-N 2.78Å
121Y91.9Very high94.5Very high61 Ų6143.5 Ų43.524%0.23920%0.197CC..THydrogen-bonded Turntrans-119-25.7-166.7-59.1-42.6000115.4H92 K94 K96 H114 D118 R119H92-Y121 HydrophobicContact CB-CD1 4.17Å; H92-Y121 HydrophobicContact CB-CE1 3.93Å; H92-Y121 AromaticContact CD2-CD1 3.75Å; H92-Y121 AromaticContact CD2-CE1 3.73Å; H92-Y121 AromaticContact CG-CD1 3.79Å; H92-Y121 AromaticContact CG-CE1 3.88Å; K94-Y121 HydrophobicContact CD-CD1 4.27Å; K94-Y121 HydrophobicContact CD-CD2 4.21Å; K94-Y121 HydrophobicContact CD-CE1 4.1Å; K94-Y121 HydrophobicContact CD-CE2 4.03Å; K94-Y121 HydrophobicContact CD-CG 4.32Å; K96-Y121 VanDerWaalsContact NZ-CA 3.35Å; K96-Y121 PolarHBondContact NZ-O 2.9Å; H114-Y121 WeakPolarHBondContact CD2-CB 3.42Å; H114-Y121 AromaticContact NE2-CD2 3.86Å; D118-Y121 HydrophobicContact CB-CD2 3.98Å; D118-Y121 PolarHBondContact O-N 2.88Å; D118-Y121 WeakPolarHBondContact OD1-CD2 3.36Å; D118-Y121 WeakPolarHBondContact OD2-CD2 3.28Å; R119-Y121 VanDerWaalsContact C-N 3.3Å; R119-Y121 PolarHBondContact O-N 2.94Å
122T94.7Very high94.2Very high2 Ų251.5 Ų51.51%0.01223%0.231CC..  trans-78134.2-173.5-60.60000111.1Y29 L112 K113 H114 M117 D118 F150Y29-T122 VanDerWaalsContact CD2-O 3.22Å; Y29-T122 WeakPolarHBondContact CD2-O 3.43Å; L112-T122 HydrophobicContact CD1-CG2 3.78Å; K113-T122 VanDerWaalsContact O-CA 3.29Å; K113-T122 WeakPolarHBondContact O-CA 3.32Å; H114-T122 PolarHBondContact CD2-OG1 3.45Å; H114-T122 WeakPolarHBondContact O-CG2 3.46Å; H114-T122 PolarHBondContact O-OG1 2.78Å; M117-T122 VanDerWaalsContact CA-OG1 3.24Å; M117-T122 WeakPolarHBondContact CA-OG1 3.26Å; M117-T122 HydrophobicContact CE-CG2 4.02Å; M117-T122 PolarHBondContact N-OG1 2.73Å; M117-T122 HydrophobicContact SD-CG2 3.76Å; D118-T122 PolarHBondContact N-OG1 3.22Å; D118-T122 VanDerWaalsContact O-CB 3.26Å; D118-T122 WeakPolarHBondContact O-CB 3.42Å; D118-T122 PolarHBondContact O-N 2.82Å; D118-T122 PolarHBondContact O-OG1 3.43Å; T122-F150 HydrophobicContact CG2-CE2 4.26Å; T122-F150 HydrophobicContact CG2-CZ 3.8Å
123Q96.4Very high94.1Very high26 Ų2652.7 Ų52.712%0.12124%0.239CC..EExtended strand (participates in β ladder)trans-138.4138.2179.1-60.2178.57.100109.6L27 A28 Y29 L112 K113L27-Q123 HydrophobicContact CD1-CB 4.23Å; A28-Q123 WeakPolarHBondContact O-CA 3.41Å; Y29-Q123 HydrophobicContact CD1-CG 4.11Å; Y29-Q123 HydrophobicContact CD2-CG 3.56Å; Y29-Q123 HydrophobicContact CE1-CG 4.39Å; Y29-Q123 HydrophobicContact CE2-CG 3.88Å; Y29-Q123 HydrophobicContact CG-CG 3.68Å; Y29-Q123 VanDerWaalsContact CZ-NE2 3.32Å; L112-Q123 CarbonylContact C-O 3.52Å; L112-Q123 WeakPolarHBondContact CA-O 3.33Å; K113-Q123 HydrophobicContact CB-CB 4.3Å; K113-Q123 PolarHBondContact N-O 2.81Å; K113-Q123 PolarHBondContact O-N 3.35Å
124V97.9Very high94.2Very high0 Ų056.6 Ų56.60%026%0.256CS..EExtended strand (participates in β ladder)trans-106.8126.4162.2-177.60000107.6L27 A28 V111 L112 F141 F144 F150L27-V124 CarbonylContact C-O 3.56Å; L27-V124 WeakPolarHBondContact CA-O 3.36Å; A28-V124 HydrophobicContact CB-CB 4.07Å; A28-V124 PolarHBondContact N-O 3.5Å; A28-V124 PolarHBondContact O-N 3.02Å; V111-V124 WeakPolarHBondContact O-CA 3.41Å; L112-V124 HydrophobicContact CD1-CG2 3.84Å; V124-F141 HydrophobicContact CB-CE2 4.21Å; V124-F141 HydrophobicContact CG1-CD2 3.94Å; V124-F141 HydrophobicContact CG1-CE2 3.79Å; V124-F144 HydrophobicContact CG1-CD1 3.69Å; V124-F144 HydrophobicContact CG1-CE1 3.94Å; V124-F144 HydrophobicContact CG2-CD1 4.07Å; V124-F144 HydrophobicContact CG2-CE1 3.83Å; V124-F150 HydrophobicContact CG2-CD2 4.32Å; V124-F150 HydrophobicContact CG2-CE2 3.71Å; V124-F150 HydrophobicContact CG2-CZ 4.24Å
125A98.3Very high94.4Very high3 Ų360.9 Ų60.93%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-116.9132.1176.600000110.1R24 G26 L27 V111 Y127R24-A125 HydrophobicContact CG-CB 4.22Å; G26-A125 WeakPolarHBondContact O-CA 3.47Å; L27-A125 HydrophobicContact CD1-CB 4.48Å; V111-A125 PolarHBondContact N-O 3.09Å; V111-A125 PolarHBondContact O-N 2.85Å; A125-Y127 HydrophobicContact CB-CD2 4.11Å; A125-Y127 HydrophobicContact CB-CE2 3.49Å; A125-Y127 VanDerWaalsContact CB-CE2 3.49Å
126L98.8Very high94.8Very high1 Ų162.5 Ų62.51%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-95121.8166.717564.6000108.7R24 V25 G26 Y108 L110 V133 V137 F141R24-L126 CarbonylContact C-O 3.44Å; R24-L126 WeakPolarHBondContact CA-O 3.26Å; V25-L126 HydrophobicContact CG2-CB 4.47Å; V25-L126 HydrophobicContact CG2-CD2 3.89Å; V25-L126 HydrophobicContact CG2-CG 3.79Å; V25-L126 PolarHBondContact N-O 3.44Å; G26-L126 PolarHBondContact N-O 3.06Å; G26-L126 VanDerWaalsContact N-O 3.16Å; G26-L126 PolarHBondContact O-N 3.46Å; Y108-L126 HydrophobicContact CD2-CD1 4.31Å; L110-L126 HydrophobicContact CD2-CB 4.28Å; L110-L126 HydrophobicContact CD2-CD1 3.78Å; L110-L126 HydrophobicContact CG-CD1 4.49Å; L126-V133 HydrophobicContact CD2-CG2 4.14Å; L126-V137 HydrophobicContact CD1-CG1 3.71Å; L126-V137 HydrophobicContact CD2-CG1 4.21Å; L126-F141 HydrophobicContact CB-CB 4.03Å; L126-F141 HydrophobicContact CB-CD1 4.22Å; L126-F141 HydrophobicContact CB-CD2 3.75Å; L126-F141 HydrophobicContact CB-CE2 4.3Å; L126-F141 HydrophobicContact CB-CG 3.71Å; L126-F141 HydrophobicContact CD1-CB 4.33Å; L126-F141 HydrophobicContact CD2-CB 3.78Å; L126-F141 HydrophobicContact CD2-CD1 4.22Å; L126-F141 HydrophobicContact CD2-CG 4.07Å; L126-F141 HydrophobicContact CG-CB 4.26Å; L126-F141 HydrophobicContact CG-CG 4.42Å
127Y98.6Very high95.2Very high19 Ų1954.9 Ų54.98%0.07526%0.261CS..EExtended strand (participates in β ladder)trans-106.1140.6172.3-68.2-88.6000110.2W22 Y23 R24 Y108 A109 V111 A125W22-Y127 HydrophobicContact CB-CD1 4.01Å; Y23-Y127 CarbonylContact O-C 3.59Å; Y23-Y127 WeakPolarHBondContact O-CA 3.43Å; R24-Y127 HydrophobicContact CB-CD1 3.96Å; R24-Y127 HydrophobicContact CB-CE1 3.67Å; R24-Y127 HydrophobicContact CG-CE1 4.19Å; Y108-Y127 CarbonylContact C-O 3.56Å; Y108-Y127 WeakPolarHBondContact CA-O 3.45Å; Y108-Y127 WeakPolarHBondContact CB-O 3.49Å; A109-Y127 PolarHBondContact N-O 3.02Å; A109-Y127 PolarHBondContact O-N 2.97Å; V111-Y127 HydrophobicContact CB-CD2 4.2Å; V111-Y127 HydrophobicContact CB-CE2 3.98Å; V111-Y127 HydrophobicContact CG2-CD2 3.76Å; V111-Y127 HydrophobicContact CG2-CE2 3.9Å; A125-Y127 HydrophobicContact CB-CD2 4.11Å; A125-Y127 HydrophobicContact CB-CE2 3.49Å; A125-Y127 VanDerWaalsContact CB-CE2 3.49Å
128G98.2Very high95.7Very high0 Ų055 Ų550%026%0.262CS..EExtended strand (participates in β ladder)trans-123.9151.2172.900000111.5W22 Y23 E107 S130W22-G128 VanDerWaalsContact CE3-C 3.48Å; Y23-G128 PolarHBondContact N-O 2.85Å; Y23-G128 PolarHBondContact O-N 3.34Å; E107-G128 CarbonylContact O-C 3.59Å; E107-G128 VanDerWaalsContact O-CA 3.27Å; E107-G128 WeakPolarHBondContact O-CA 3.41Å; G128-S130 PolarHBondContact O-N 3.06Å
129R97.5Very high96Very high64 Ų6456.4 Ų56.424%0.24227%0.266CS..SBendtrans-70.6-16.9169.2-71.4-58-165.5170.72.5112.5R17 A19 K21 W22 Y23 Y105 N106 E107R17-R129 PolarHBondContact O-NH2 3.17Å; A19-R129 PolarHBondContact O-NH1 2.92Å; A19-R129 PolarHBondContact O-NH2 2.77Å; A19-R129 VanDerWaalsContact O-NH2 3.09Å; K21-R129 VanDerWaalsContact O-CD 3.26Å; K21-R129 WeakPolarHBondContact O-CD 3.39Å; K21-R129 PolarHBondContact O-NH1 2.92Å; W22-R129 VanDerWaalsContact CE2-CZ 3.4Å; W22-R129 HydrophobicContact CE3-CG 4.18Å; W22-R129 HydrophobicContact CH2-CG 3.96Å; W22-R129 HydrophobicContact CZ3-CG 3.75Å; Y23-R129 WeakPolarHBondContact CE2-O 3.19Å; Y105-R129 VanDerWaalsContact O-CZ 3.3Å; Y105-R129 PolarHBondContact O-NE 3.26Å; Y105-R129 PolarHBondContact O-NH2 3.05Å; N106-R129 VanDerWaalsContact C-CG 3.46Å; N106-R129 WeakPolarHBondContact O-CB 3.26Å; N106-R129 WeakPolarHBondContact O-CG 3.22Å; E107-R129 PolarHBondContact O-N 2.84Å
130S95.3Very high96.5Very high57 Ų5753.1 Ų53.140%0.39926%0.256SS..SBendtrans-122.7163.2172.551.70000111G128 K132G128-S130 PolarHBondContact O-N 3.06Å; S130-K132 PolarHBondContact O-N 3.4Å; S130-K132 PolarHBondContact OG-O 2.04Å
131Q93.8Very high96.9Very high76 Ų7650.1 Ų50.136%0.35524%0.242SC..SBendtrans-70.5-21.3175-64-166.642.500113.4Y23 V25 V44Y23-Q131 HydrophobicContact CD1-CG 3.54Å; Y23-Q131 HydrophobicContact CD2-CG 4.32Å; Y23-Q131 HydrophobicContact CE1-CG 3.64Å; Y23-Q131 HydrophobicContact CE2-CG 4.43Å; Y23-Q131 HydrophobicContact CG-CG 3.89Å; V25-Q131 VanDerWaalsContact CG1-O 3.31Å; V25-Q131 WeakPolarHBondContact CG1-O 3.47Å; V44-Q131 HydrophobicContact CG1-CG 4.31Å
132K93.4Very high97.2Very high176 Ų17651 Ų5177%0.76525%0.247SC*.SBendtrans-117.7120.7175.7-64.3-178.4-179179.70108S130S130-K132 PolarHBondContact O-N 3.4Å; S130-K132 PolarHBondContact OG-O 2.04Å
133V95.9Very high97.3Very high26 Ų2655.1 Ų55.116%0.15827%0.269CS..  trans-109.5163.5175.6-650000109.6V25 L126 V137 I138V25-V133 HydrophobicContact CG2-CG1 4.06Å; V25-V133 HydrophobicContact CG2-CG2 3.92Å; L126-V133 HydrophobicContact CD2-CG2 4.14Å; V133-V137 HydrophobicContact CB-CB 4.47Å; V133-V137 HydrophobicContact CB-CG1 4.37Å; V133-V137 HydrophobicContact CG2-CB 4.5Å; V133-V137 HydrophobicContact CG2-CG1 4.31Å; V133-I138 HydrophobicContact CG2-CD1 4.19Å; V133-I138 HydrophobicContact CG2-CG1 3.67Å
134K97.4Very high97.4Very high101 Ų10155.4 Ų55.444%0.43927%0.27SS..  trans-66.3147.8-177-53.2179.6-179.4156.90111.4E107 E136 V137 I138E107-K134 VanDerWaalsContact OE1-CE 3.31Å; E107-K134 WeakPolarHBondContact OE1-CE 3.09Å; E107-K134 IonicContact OE1-NZ 2.71Å; E107-K134 PolarHBondContact OE1-NZ 2.86Å; K134-E136 VanDerWaalsContact C-N 3.25Å; K134-E136 HydrophobicContact CB-CG 4.28Å; K134-E136 VanDerWaalsContact CB-OE1 3.23Å; K134-E136 WeakPolarHBondContact CB-OE1 3.46Å; K134-E136 VanDerWaalsContact CB-OE2 3.25Å; K134-E136 WeakPolarHBondContact CB-OE2 3.31Å; K134-E136 WeakPolarHBondContact CD-OE1 3.46Å; K134-E136 PolarHBondContact O-N 3.25Å; K134-V137 HydrophobicContact CB-CG2 4.46Å; K134-V137 WeakPolarHBondContact O-CB 3.35Å; K134-V137 PolarHBondContact O-N 3.32Å; K134-I138 PolarHBondContact O-N 2.96Å
135P97.7Very high97.3Very high100 Ų10055.4 Ų55.465%0.64927%0.27SS*.Hα-helixtrans-54.3-37.3-178.8-27.436000114.2V137 I138 Q139P135-V137 VanDerWaalsContact C-N 3.3Å; P135-V137 PolarHBondContact O-N 3.18Å; P135-I138 WeakPolarHBondContact O-CB 3.4Å; P135-I138 PolarHBondContact O-N 2.99Å; P135-I138 VanDerWaalsContact O-N 3.16Å; P135-Q139 PolarHBondContact O-N 3.43Å
136E97.8Very high97.2Very high112 Ų11258.2 Ų58.252%0.52329%0.287SS..Hα-helixtrans-63.4-33.917862.9-86.3-161.400112.9K134 Q139 K140K134-E136 VanDerWaalsContact C-N 3.25Å; K134-E136 HydrophobicContact CB-CG 4.28Å; K134-E136 VanDerWaalsContact CB-OE1 3.23Å; K134-E136 WeakPolarHBondContact CB-OE1 3.46Å; K134-E136 VanDerWaalsContact CB-OE2 3.25Å; K134-E136 WeakPolarHBondContact CB-OE2 3.31Å; K134-E136 WeakPolarHBondContact CD-OE1 3.46Å; K134-E136 PolarHBondContact O-N 3.25Å; E136-Q139 PolarHBondContact O-N 2.97Å; E136-K140 WeakPolarHBondContact O-CB 3.1Å; E136-K140 PolarHBondContact O-N 2.87Å
137V98.1Very high97Very high11 Ų1162.2 Ų62.27%0.06732%0.315CS..Hα-helixtrans-70.3-39.1175175.50000110.4Y108 L126 V133 K134 P135 K140 F141Y108-V137 HydrophobicContact CD1-CG1 4Å; Y108-V137 HydrophobicContact CD1-CG2 3.81Å; Y108-V137 HydrophobicContact CD2-CG1 3.92Å; Y108-V137 HydrophobicContact CE1-CG2 4.18Å; Y108-V137 HydrophobicContact CG-CG1 3.55Å; Y108-V137 HydrophobicContact CG-CG2 4.24Å; L126-V137 HydrophobicContact CD1-CG1 3.71Å; L126-V137 HydrophobicContact CD2-CG1 4.21Å; V133-V137 HydrophobicContact CB-CB 4.47Å; V133-V137 HydrophobicContact CB-CG1 4.37Å; V133-V137 HydrophobicContact CG2-CB 4.5Å; V133-V137 HydrophobicContact CG2-CG1 4.31Å; K134-V137 HydrophobicContact CB-CG2 4.46Å; K134-V137 WeakPolarHBondContact O-CB 3.35Å; K134-V137 PolarHBondContact O-N 3.32Å; P135-V137 VanDerWaalsContact C-N 3.3Å; P135-V137 PolarHBondContact O-N 3.18Å; V137-K140 PolarHBondContact O-N 3.38Å; V137-F141 PolarHBondContact O-N 3.2Å
138I98.2Very high96.7Very high45 Ų4562.7 Ų62.723%0.23132%0.318CS..Hα-helixtrans-64.2-43.6174.7-60.7177.7000110.3V133 K134 P135 F141 K142 T157V133-I138 HydrophobicContact CG2-CD1 4.19Å; V133-I138 HydrophobicContact CG2-CG1 3.67Å; K134-I138 PolarHBondContact O-N 2.96Å; P135-I138 WeakPolarHBondContact O-CB 3.4Å; P135-I138 PolarHBondContact O-N 2.99Å; P135-I138 VanDerWaalsContact O-N 3.16Å; I138-F141 WeakPolarHBondContact O-CB 3.44Å; I138-F141 PolarHBondContact O-N 2.99Å; I138-K142 HydrophobicContact CG2-CD 4.22Å; I138-K142 WeakPolarHBondContact O-CG 3.42Å; I138-K142 PolarHBondContact O-N 3.01Å; I138-T157 HydrophobicContact CG2-CG2 3.78Å
139Q98.2Very high96.4Very high93 Ų9365.4 Ų65.444%0.43535%0.346SS..Hα-helixtrans-63.4-45.7178.9-169.85746.300110.7P135 E136 F141 K142 D143P135-Q139 PolarHBondContact O-N 3.43Å; E136-Q139 PolarHBondContact O-N 2.97Å; Q139-F141 VanDerWaalsContact C-N 3.3Å; Q139-F141 PolarHBondContact O-N 3.16Å; Q139-K142 WeakPolarHBondContact O-CB 3.39Å; Q139-K142 PolarHBondContact O-N 3.3Å; Q139-D143 PolarHBondContact NE2-OD1 2.78Å; Q139-D143 VanDerWaalsContact O-CG 3.26Å; Q139-D143 PolarHBondContact O-N 2.8Å
140K97.9Very high96.3Very high79 Ų7963.2 Ų63.234%0.34334%0.338SS..Hα-helixtrans-54-45.7173.9-176.7-177.1-73.4-160.70112.4E102 Y108 L110 E136 V137 D143 F144E102-K140 WeakPolarHBondContact OE1-CD 3.08Å; E102-K140 IonicContact OE1-NZ 2.68Å; E102-K140 PolarHBondContact OE1-NZ 2.91Å; E102-K140 IonicContact OE2-NZ 3.69Å; Y108-K140 HydrophobicContact CE2-CD 4.24Å; Y108-K140 PolarHBondContact OH-NZ 2.88Å; L110-K140 HydrophobicContact CD1-CD 4.13Å; L110-K140 HydrophobicContact CD1-CG 4.1Å; E136-K140 WeakPolarHBondContact O-CB 3.1Å; E136-K140 PolarHBondContact O-N 2.87Å; V137-K140 PolarHBondContact O-N 3.38Å; K140-D143 PolarHBondContact O-N 2.94Å; K140-F144 WeakPolarHBondContact O-CB 3.23Å; K140-F144 PolarHBondContact O-N 2.85Å
141F98.5Very high96.3Very high0 Ų062.8 Ų62.80%033%0.334CS..Hα-helixtrans-59.3-45.6174.9160.1-113.7000112.6A28 L110 V124 L126 V137 I138 Q139 F144 A145 I155A28-F141 HydrophobicContact CB-CE2 4.23Å; A28-F141 HydrophobicContact CB-CZ 4.1Å; L110-F141 HydrophobicContact CD2-CB 3.77Å; L110-F141 HydrophobicContact CD2-CD2 3.94Å; L110-F141 HydrophobicContact CD2-CG 4.33Å; V124-F141 HydrophobicContact CB-CE2 4.21Å; V124-F141 HydrophobicContact CG1-CD2 3.94Å; V124-F141 HydrophobicContact CG1-CE2 3.79Å; L126-F141 HydrophobicContact CB-CB 4.03Å; L126-F141 HydrophobicContact CB-CD1 4.22Å; L126-F141 HydrophobicContact CB-CD2 3.75Å; L126-F141 HydrophobicContact CB-CE2 4.3Å; L126-F141 HydrophobicContact CB-CG 3.71Å; L126-F141 HydrophobicContact CD1-CB 4.33Å; L126-F141 HydrophobicContact CD2-CB 3.78Å; L126-F141 HydrophobicContact CD2-CD1 4.22Å; L126-F141 HydrophobicContact CD2-CG 4.07Å; L126-F141 HydrophobicContact CG-CB 4.26Å; L126-F141 HydrophobicContact CG-CG 4.42Å; V137-F141 PolarHBondContact O-N 3.2Å; I138-F141 WeakPolarHBondContact O-CB 3.44Å; I138-F141 PolarHBondContact O-N 2.99Å; Q139-F141 VanDerWaalsContact C-N 3.3Å; Q139-F141 PolarHBondContact O-N 3.16Å; F141-F144 PolarHBondContact O-N 2.82Å; F141-A145 WeakPolarHBondContact O-CB 3.35Å; F141-A145 PolarHBondContact O-N 2.82Å; F141-I155 HydrophobicContact CD1-CG2 4.29Å; F141-I155 HydrophobicContact CE1-CG2 3.5Å; F141-I155 VanDerWaalsContact CE1-CG2 3.5Å; F141-I155 HydrophobicContact CZ-CG2 3.76Å
142K98.4Very high96.3Very high81 Ų8167.6 Ų67.635%0.35235%0.354SS..Hα-helixtrans-63.4-45.6179.3-71.7174.3175.7179.30111.4I138 Q139 A145 T146 I155I138-K142 HydrophobicContact CG2-CD 4.22Å; I138-K142 WeakPolarHBondContact O-CG 3.42Å; I138-K142 PolarHBondContact O-N 3.01Å; Q139-K142 WeakPolarHBondContact O-CB 3.39Å; Q139-K142 PolarHBondContact O-N 3.3Å; K142-A145 PolarHBondContact O-N 3.47Å; K142-T146 WeakPolarHBondContact O-CB 3.23Å; K142-T146 PolarHBondContact O-N 3.46Å; K142-T146 PolarHBondContact O-OG1 3.48Å; K142-T146 VanDerWaalsContact O-OG1 3.14Å; K142-I155 HydrophobicContact CG-CG2 3.94Å
143D97.9Very high96.2Very high87 Ų8763.4 Ų63.447%0.46534%0.34SS..Hα-helixtrans-64.3-42179.4-63.1-22.4000111.2Q139 K140 T146 S147Q139-D143 PolarHBondContact NE2-OD1 2.78Å; Q139-D143 VanDerWaalsContact O-CG 3.26Å; Q139-D143 PolarHBondContact O-N 2.8Å; K140-D143 PolarHBondContact O-N 2.94Å; D143-T146 PolarHBondContact O-N 2.85Å; D143-S147 WeakPolarHBondContact O-CB 3.47Å; D143-S147 PolarHBondContact O-N 3.05Å; D143-S147 PolarHBondContact O-OG 3.14Å
144F96.9Very high96.1Very high32 Ų3262.3 Ų62.314%0.1433%0.333CS..Hα-helixtrans-61-47.4173.9-177-91.2000111.5V7 V101 L110 V124 K140 F141 S147 H148V7-F144 HydrophobicContact CG1-CZ 4.2Å; V7-F144 HydrophobicContact CG2-CZ 4.41Å; V101-F144 HydrophobicContact CB-CZ 4.48Å; V101-F144 HydrophobicContact CG1-CE2 3.72Å; V101-F144 HydrophobicContact CG1-CZ 3.9Å; V101-F144 HydrophobicContact CG2-CZ 4.01Å; L110-F144 HydrophobicContact CD1-CB 4.46Å; V124-F144 HydrophobicContact CG1-CD1 3.69Å; V124-F144 HydrophobicContact CG1-CE1 3.94Å; V124-F144 HydrophobicContact CG2-CD1 4.07Å; V124-F144 HydrophobicContact CG2-CE1 3.83Å; K140-F144 WeakPolarHBondContact O-CB 3.23Å; K140-F144 PolarHBondContact O-N 2.85Å; F141-F144 PolarHBondContact O-N 2.82Å; F144-S147 WeakPolarHBondContact CA-OG 3.46Å; F144-S147 PolarHBondContact O-OG 3.34Å; F144-H148 AromaticContact CD2-CE1 3.75Å; F144-H148 AromaticContact CD2-ND1 3.99Å; F144-H148 AromaticContact CE2-CE1 3.28Å; F144-H148 WeakPolarHBondContact CE2-CE1 3.2Å; F144-H148 AromaticContact CE2-ND1 3.82Å; F144-H148 AromaticContact CE2-NE2 3.92Å; F144-H148 AromaticContact CZ-CE1 3.53Å; F144-H148 AromaticContact CZ-ND1 3.86Å; F144-H148 AromaticContact CZ-NE2 3.84Å; F144-H148 PolarHBondContact O-N 2.82Å; F144-H148 PolarHBondContact O-ND1 3.06Å
145A97.1Very high96.1Very high0 Ų058.4 Ų58.40%032%0.317CS..Hα-helixtrans-64.9-44.3178.700000112.3A28 F141 K142 H148 G149 F150 I155A28-A145 HydrophobicContact CB-CB 3.62Å; F141-A145 WeakPolarHBondContact O-CB 3.35Å; F141-A145 PolarHBondContact O-N 2.82Å; K142-A145 PolarHBondContact O-N 3.47Å; A145-H148 CarbonylContact O-C 3.48Å; A145-H148 PolarHBondContact O-N 2.72Å; A145-G149 PolarHBondContact O-N 3.35Å; A145-F150 HydrophobicContact CB-CB 4.21Å; A145-F150 HydrophobicContact CB-CD2 4.3Å; A145-F150 HydrophobicContact CB-CG 4.45Å; A145-F150 WeakPolarHBondContact O-CB 3.44Å; A145-F150 WeakPolarHBondContact O-CD2 3.49Å; A145-F150 PolarHBondContact O-N 3.21Å; A145-F150 VanDerWaalsContact O-N 3.1Å; A145-I155 HydrophobicContact CB-CD1 3.67Å; A145-I155 HydrophobicContact CB-CG1 3.87Å; A145-I155 HydrophobicContact CB-CG2 4.46Å
146T96.6Very high96.1Very high63 Ų6354.7 Ų54.739%0.38729%0.291SS..Hα-helixtrans-65.3-41.9179-630000112.2K142 D143 H148 G149 I155K142-T146 WeakPolarHBondContact O-CB 3.23Å; K142-T146 PolarHBondContact O-N 3.46Å; K142-T146 PolarHBondContact O-OG1 3.48Å; K142-T146 VanDerWaalsContact O-OG1 3.14Å; D143-T146 PolarHBondContact O-N 2.85Å; T146-H148 PolarHBondContact O-N 2.88Å; T146-G149 PolarHBondContact O-N 2.82Å; T146-I155 VanDerWaalsContact OG1-CD1 3.32Å; T146-I155 WeakPolarHBondContact OG1-CD1 3.44Å
147S94.3Very high96Very high85 Ų8552.7 Ų52.759%0.59429%0.287SS*.Hα-helixtrans-62.4-23.7175.2570000113.1D143 F144 G149D143-S147 WeakPolarHBondContact O-CB 3.47Å; D143-S147 PolarHBondContact O-N 3.05Å; D143-S147 PolarHBondContact O-OG 3.14Å; F144-S147 WeakPolarHBondContact CA-OG 3.46Å; F144-S147 PolarHBondContact O-OG 3.34Å; S147-G149 VanDerWaalsContact C-N 3.34Å
148H92.3Very high95.9Very high29 Ų2953 Ų5313%0.13429%0.289CS..THydrogen-bonded Turntrans-94.615.5175-69.875.6000113.3H4 V7 M117 F144 A145 T146 F150H4-H148 PolarHBondContact CE1-O 3.44Å; V7-H148 VanDerWaalsContact CG2-NE2 3.28Å; V7-H148 WeakPolarHBondContact CG2-NE2 3.47Å; M117-H148 HydrophobicContact CE-CB 3.73Å; M117-H148 WeakPolarHBondContact CE-O 3.13Å; F144-H148 AromaticContact CD2-CE1 3.75Å; F144-H148 AromaticContact CD2-ND1 3.99Å; F144-H148 AromaticContact CE2-CE1 3.28Å; F144-H148 WeakPolarHBondContact CE2-CE1 3.2Å; F144-H148 AromaticContact CE2-ND1 3.82Å; F144-H148 AromaticContact CE2-NE2 3.92Å; F144-H148 AromaticContact CZ-CE1 3.53Å; F144-H148 AromaticContact CZ-ND1 3.86Å; F144-H148 AromaticContact CZ-NE2 3.84Å; F144-H148 PolarHBondContact O-N 2.82Å; F144-H148 PolarHBondContact O-ND1 3.06Å; A145-H148 CarbonylContact O-C 3.48Å; A145-H148 PolarHBondContact O-N 2.72Å; T146-H148 PolarHBondContact O-N 2.88Å; H148-F150 HydrophobicContact CB-CD2 4.4Å
149G92.4Very high95.7Very high57 Ų5754.1 Ų54.159%0.58830%0.3SS*.THydrogen-bonded Turntrans84.68.3169.600000115.4A145 T146 S147A145-G149 PolarHBondContact O-N 3.35Å; T146-G149 PolarHBondContact O-N 2.82Å; S147-G149 VanDerWaalsContact C-N 3.34Å
150F94.9Very high95.4Very high17 Ų1752.8 Ų52.88%0.07530%0.299CS..  trans-71.6128.3172.1-72-92.1000110.1A28 D30 M117 T122 V124 A145 H148 I155A28-F150 HydrophobicContact CB-CB 4.29Å; A28-F150 HydrophobicContact CB-CD1 3.84Å; A28-F150 HydrophobicContact CB-CD2 4.37Å; A28-F150 HydrophobicContact CB-CE1 4.24Å; A28-F150 HydrophobicContact CB-CG 3.9Å; A28-F150 WeakPolarHBondContact O-CE1 3.38Å; D30-F150 HydrophobicContact CB-CD1 4.48Å; M117-F150 HydrophobicContact CE-CE2 4.08Å; T122-F150 HydrophobicContact CG2-CE2 4.26Å; T122-F150 HydrophobicContact CG2-CZ 3.8Å; V124-F150 HydrophobicContact CG2-CD2 4.32Å; V124-F150 HydrophobicContact CG2-CE2 3.71Å; V124-F150 HydrophobicContact CG2-CZ 4.24Å; A145-F150 HydrophobicContact CB-CB 4.21Å; A145-F150 HydrophobicContact CB-CD2 4.3Å; A145-F150 HydrophobicContact CB-CG 4.45Å; A145-F150 WeakPolarHBondContact O-CB 3.44Å; A145-F150 WeakPolarHBondContact O-CD2 3.49Å; A145-F150 PolarHBondContact O-N 3.21Å; A145-F150 VanDerWaalsContact O-N 3.1Å; H148-F150 HydrophobicContact CB-CD2 4.4Å; F150-I155 HydrophobicContact CB-CD1 4.25Å; F150-I155 HydrophobicContact CB-CG1 4.04Å
151P94.1Very high95Very high48 Ų4849.5 Ų49.531%0.31229%0.287SS..  trans-69.4150.1175.133.1-36.6000109.8D30 D153 A154D30-P151 HydrophobicContact CB-CG 4.38Å; P151-D153 VanDerWaalsContact CB-OD1 3.26Å; P151-D153 WeakPolarHBondContact CB-OD1 3.09Å; P151-D153 WeakPolarHBondContact CG-OD1 3.22Å; P151-D153 PolarHBondContact O-N 2.8Å; P151-D153 VanDerWaalsContact O-N 3.16Å; P151-A154 HydrophobicContact CG-CB 3.79Å; P151-A154 WeakPolarHBondContact O-CB 3.47Å; P151-A154 PolarHBondContact O-N 2.81Å
152K93.8Very high94.1Very high177 Ų17757.1 Ų57.177%0.7732%0.322SS*.G310 helixtrans-58.3-33.9-170.9-69.8-178178.91780113.2A154 I155K152-A154 VanDerWaalsContact C-N 3.31Å; K152-A154 PolarHBondContact O-N 2.79Å; K152-I155 PolarHBondContact O-N 2.85Å
153D91.9Very high93.3Very high89 Ų8959 Ų5948%0.47634%0.336SS..G310 helixtrans-72.9-20.2179.164.6-35.1000113.7R39 P151R39-D153 PolarHBondContact NE-O 3.44Å; R39-D153 PolarHBondContact NH2-O 3.22Å; P151-D153 VanDerWaalsContact CB-OD1 3.26Å; P151-D153 WeakPolarHBondContact CB-OD1 3.09Å; P151-D153 WeakPolarHBondContact CG-OD1 3.22Å; P151-D153 PolarHBondContact O-N 2.8Å; P151-D153 VanDerWaalsContact O-N 3.16Å
154A94.3Very high92.8Very high2 Ų255.4 Ų55.42%0.01732%0.318CS..G310 helixtrans-85.9-6.4171.900000113.5A28 Y29 D30 P151 K152A28-A154 VanDerWaalsContact CA-O 3.3Å; A28-A154 WeakPolarHBondContact CA-O 3.37Å; Y29-A154 PolarHBondContact N-O 2.95Å; D30-A154 HydrophobicContact CB-CB 3.69Å; P151-A154 HydrophobicContact CG-CB 3.79Å; P151-A154 WeakPolarHBondContact O-CB 3.47Å; P151-A154 PolarHBondContact O-N 2.81Å; K152-A154 VanDerWaalsContact C-N 3.31Å; K152-A154 PolarHBondContact O-N 2.79Å
155I97.2Very high92.2Very high19 Ų1956.2 Ų56.210%0.09733%0.326CS..EExtended strand (participates in β ladder)trans-98.1110.3179-55.3169.2000109.4A28 F141 K142 A145 T146 F150 K152A28-I155 HydrophobicContact CB-CB 4.48Å; A28-I155 HydrophobicContact CB-CG1 3.95Å; A28-I155 HydrophobicContact CB-CG2 4.49Å; F141-I155 HydrophobicContact CD1-CG2 4.29Å; F141-I155 HydrophobicContact CE1-CG2 3.5Å; F141-I155 VanDerWaalsContact CE1-CG2 3.5Å; F141-I155 HydrophobicContact CZ-CG2 3.76Å; K142-I155 HydrophobicContact CG-CG2 3.94Å; A145-I155 HydrophobicContact CB-CD1 3.67Å; A145-I155 HydrophobicContact CB-CG1 3.87Å; A145-I155 HydrophobicContact CB-CG2 4.46Å; T146-I155 VanDerWaalsContact OG1-CD1 3.32Å; T146-I155 WeakPolarHBondContact OG1-CD1 3.44Å; F150-I155 HydrophobicContact CB-CD1 4.25Å; F150-I155 HydrophobicContact CB-CG1 4.04Å; K152-I155 PolarHBondContact O-N 2.85Å
156L97.3Very high91.1Very high22 Ų2260.2 Ų60.212%0.11535%0.352CS..EExtended strand (participates in β ladder)trans-118.5138.3-168.3-53172.2000111.7G26 L27 F34 R39 L42G26-L156 CarbonylContact C-O 3.55Å; G26-L156 VanDerWaalsContact CA-O 3.24Å; G26-L156 WeakPolarHBondContact CA-O 3.39Å; L27-L156 PolarHBondContact N-O 3.26Å; L27-L156 WeakPolarHBondContact O-CB 3.45Å; L27-L156 PolarHBondContact O-N 2.98Å; F34-L156 HydrophobicContact CE1-CD1 3.82Å; F34-L156 HydrophobicContact CZ-CD1 4.01Å; R39-L156 HydrophobicContact CG-CD1 3.85Å; R39-L156 HydrophobicContact CG-CD2 4.15Å; L42-L156 HydrophobicContact CD2-CB 4.06Å; L42-L156 HydrophobicContact CD2-CD1 3.89Å
157T96.9Very high89.8Confident70 Ų7062.7 Ų62.743%0.42937%0.372SS..  trans-115.488.2165.151.60000108.1I138I138-T157 HydrophobicContact CG2-CG2 3.78Å
158P94.9Very high88Confident17 Ų1762.3 Ų62.311%0.1138%0.381CS..PPolyproline II helixtrans-67.7155.2-172.628.1-37.2000112.4V25 L42 V44V25-P158 WeakPolarHBondContact O-CD 3.27Å; L42-P158 HydrophobicContact CB-CB 4.23Å; L42-P158 HydrophobicContact CD2-CB 3.97Å; L42-P158 HydrophobicContact CD2-CG 3.85Å; L42-P158 HydrophobicContact CG-CB 3.8Å; L42-P158 HydrophobicContact CG-CG 3.95Å; L42-P158 WeakPolarHBondContact O-CB 3.38Å; V44-P158 HydrophobicContact CG2-CG 4.26Å; V44-P158 WeakPolarHBondContact CG2-O 3.37Å
159P94Very high85.3Confident70 Ų7076.3 Ų76.346%0.45543%0.433SS..PPolyproline II helixtrans-68.7158.9172.528.6-32000111.4V44V44-P159 PolarHBondContact N-O 2.75Å
160P91.6Very high84.9Confident65 Ų6577.3 Ų77.342%0.42243%0.425SS..PPolyproline II helixtrans-48.1149.3173.6-31.438.6000113.6
161A89.5Confident84.4Confident10 Ų1080.5 Ų80.58%0.08344%0.444CS..PPolyproline II helixtrans-81.6137.1162.200000108.8R43 V44 Q64 C164R43-A161 HydrophobicContact CB-CB 4.29Å; V44-A161 WeakPolarHBondContact O-CB 3.48Å; Q64-A161 HydrophobicContact CB-CB 4.12Å; A161-C164 HydrophobicContact CB-CB 4.11Å
162E80.9Confident83.9Confident160 Ų16082.3 Ų82.375%0.74845%0.451SS*.SBendtrans-75.7-51.3-177.3-67.3173.9179.300111
163N81.3Confident83.3Confident119 Ų11976.7 Ų76.764%0.63643%0.433SS*.SBendtrans-132.650.6-170.3-67.1-43.8000111.5
164C87.4Confident82.7Confident13 Ų1375.9 Ų75.99%0.08843%0.43CS..  trans-150116.7179.7-166.40000112.1Q64 C69 A161Q64-C164 HydrophobicContact CB-CB 4.01Å; Q64-C164 PolarHBondContact N-SG 3.19Å; Q64-C164 VanDerWaalsContact N-SG 3.4Å; C69-C164 HydrophobicContact CB-CB 3.63Å; C69-C164 WeakPolarHBondContact CB-SG 3.36Å; C69-C164 WeakPolarHBondContact SG-CA 3.3Å; C69-C164 WeakPolarHBondContact SG-CB 3.39Å; C69-C164 CovalentContact SG-SG 2.04Å; C69-C164 PolarHBondContact SG-SG 2.95Å; A161-C164 HydrophobicContact CB-CB 4.11Å
165P83.1Confident82Confident49 Ų4980.9 Ų80.932%0.31846%0.457SS..SBendcis-64.1150.83.231.6-38.8000112M46 W62 S167M46-P165 HydrophobicContact CE-CB 4.25Å; M46-P165 HydrophobicContact CE-CG 3.62Å; W62-P165 HydrophobicContact CB-CB 4.21Å; W62-P165 HydrophobicContact CD2-CB 4.3Å; W62-P165 HydrophobicContact CG-CB 3.84Å; P165-S167 PolarHBondContact O-N 3.1Å
166P74.7Confident80.9Confident83 Ų8385.3 Ų85.354%0.53948%0.483SS..PPolyproline II helixtrans-58.2137.4168.525.6-32.4000108.4C69 G168C69-P166 WeakPolarHBondContact SG-CD 3.44Å; P166-G168 PolarHBondContact O-N 3.4Å
167S68.4Low79.6Confident115 Ų11590.2 Ų90.280%0.80451%0.511SS*.PPolyproline II helixtrans-50.8124.2168.6-46.90000107.9P165 R169P165-S167 PolarHBondContact O-N 3.1Å; S167-R169 PolarHBondContact O-N 2.77Å
168G56.6Low78.2Confident77 Ų7791.8 Ų91.879%0.79452%0.518SS*.PPolyproline II helixtrans-54.5133.5177.600000110.1P166P166-G168 PolarHBondContact O-N 3.4Å
169R35.7Very low76.7Confident324 Ų32498.6 Ų98.6100%1.22356%0.555SS**  trans-750151-76.2-175.1-177.2174-0108.3S167S167-R169 PolarHBondContact O-N 2.77Å

Retrieved 169 of 169 residues in 930.8 ms (Link to these results)

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