A0A087YF99_POEFO Loading...

Large ribosomal subunit protein mL43

AlphaFold DB , UniProt , Accession A0A087YF99, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 151 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.7Low90.9Very high217 Ų21797.9 Ų97.9100%1.06952%0.523SS*.  01410-62-150.290.300109.4T6M1-T6 HydrophobicContact CB-CG2 3.98Å; M1-T6 HydrophobicContact CE-CG2 4.22Å; M1-T6 HydrophobicContact SD-CG2 3.93Å
2T86.4Confident91.3Very high103 Ų103101.8 Ų101.863%0.63253%0.532SS*.  trans-95.9155.1-176.762.10000112.1R4 G5 T6T2-R4 PolarHBondContact O-N 2.92Å; T2-G5 PolarHBondContact O-N 3.24Å; T2-T6 PolarHBondContact O-OG1 3.29Å
3S83.8Confident91.7Very high59 Ų5998.2 Ų98.241%0.41352%0.521SS..THydrogen-bonded Turntrans-57.4-27.1179.51710000114.5R114S3-R114 WeakPolarHBondContact OG-CD 3.27Å; S3-R114 PolarHBondContact OG-NE 3.14Å; S3-R114 PolarHBondContact OG-NH2 2.89Å
4R90.9Very high92.1Very high247 Ų24792.9 Ų92.993%0.93249%0.494SS*.THydrogen-bonded Turntrans-83.7-26.8-179.6-67.5-173.4-178.4-175.70.9113.5T2T2-R4 PolarHBondContact O-N 2.92Å
5G94.8Very high92.4Very high63 Ų6398.1 Ų98.165%0.64952%0.521SS*.SBendtrans-94.83.8-17900000114.4T2T2-G5 PolarHBondContact O-N 3.24Å
6T96.1Very high92.6Very high43 Ų4399.7 Ų99.726%0.26452%0.524SS..SBendtrans-128.7147.4-177.649.10000110.8M1 T2M1-T6 HydrophobicContact CB-CG2 3.98Å; M1-T6 HydrophobicContact CE-CG2 4.22Å; M1-T6 HydrophobicContact SD-CG2 3.93Å; T2-T6 PolarHBondContact O-OG1 3.29Å
7P97Very high92.8Very high92 Ų9296.1 Ų96.160%0.59751%0.506SS*.  trans-63.5160.5176.427.8-34.8000111.1I113P7-I113 HydrophobicContact CB-CD1 4.26Å; P7-I113 HydrophobicContact CG-CD1 4.49Å; P7-I113 HydrophobicContact CG-CG2 4.18Å
8S97Very high93Very high27 Ų2793.9 Ų93.919%0.18951%0.51CS..EExtended strand (participates in β ladder)trans-145.6155.817852.20000110.5R114 R116S8-R114 VanDerWaalsContact CA-O 3.27Å; S8-R114 WeakPolarHBondContact CA-O 3.43Å; S8-R114 VanDerWaalsContact CB-O 3.24Å; S8-R114 WeakPolarHBondContact CB-O 3.24Å; S8-R114 PolarHBondContact OG-NH2 3.18Å; S8-R116 PolarHBondContact OG-NE 3.23Å; S8-R116 PolarHBondContact OG-NH2 3.35Å; S8-R116 VanDerWaalsContact OG-NH2 3.08Å
9R97.3Very high93.2Very high54 Ų5495.3 Ų95.320%0.20452%0.521CS..EExtended strand (participates in β ladder)trans-134.1166.2177.865.7-176.3-177.682.4-7.7111.7D111 I113 R114 I115 R116R9-D111 PolarHBondContact NE-O 3.45Å; R9-D111 PolarHBondContact NH2-O 3.05Å; R9-I113 HydrophobicContact CB-CD1 4.06Å; R9-I113 HydrophobicContact CB-CG1 4.46Å; R9-I113 HydrophobicContact CG-CD1 4.01Å; R9-I113 HydrophobicContact CG-CG1 3.87Å; R9-R114 PolarHBondContact N-O 2.82Å; R9-I115 WeakPolarHBondContact O-CA 3.38Å; R9-R116 PolarHBondContact O-N 3.1Å
10F97.9Very high93.4Very high109 Ų10994.5 Ų94.548%0.47854%0.536SS..  trans-85.3157165.7-68.9-80.2000110.3K12 R116 K117F10-K12 PolarHBondContact O-N 3.37Å; F10-R116 HydrophobicContact CD1-CB 3.9Å; F10-R116 HydrophobicContact CE1-CB 3.78Å; F10-R116 HydrophobicContact CE1-CG 4.5Å; F10-R116 HydrophobicContact CZ-CB 4.37Å; F10-K117 HydrophobicContact CD1-CB 4.4Å; F10-K117 HydrophobicContact CD1-CD 4.28Å; F10-K117 HydrophobicContact CD1-CG 4.17Å; F10-K117 HydrophobicContact CE1-CD 4Å; F10-K117 HydrophobicContact CE1-CG 4.01Å
11L97.9Very high93.6Very high63 Ų6399.9 Ų99.933%0.3355%0.547SS..  trans-66.6130.3172.8-176.165.8000109I115 H120L11-I115 HydrophobicContact CB-CG2 4.08Å; L11-I115 HydrophobicContact CD1-CD1 4.33Å; L11-H120 HydrophobicContact CB-CB 4.4Å; L11-H120 WeakPolarHBondContact O-CB 3.13Å
12K96.2Very high95.3Very high144 Ų14496.6 Ų96.663%0.62652%0.524SS*.  trans-154152.8176.9-165.3170.7-178.1174.20109.1F10 Q110F10-K12 PolarHBondContact O-N 3.37Å; K12-Q110 PolarHBondContact O-NE2 3.11Å; K12-Q110 PolarHBondContact O-OE1 3.41Å
13S96.6Very high95.8Very high56 Ų5694.8 Ų94.839%0.39251%0.513SS..  trans-94.8155.2170.9-173.20000111.2N17S13-N17 WeakPolarHBondContact OG-CB 3.36Å; S13-N17 PolarHBondContact OG-N 3.37Å; S13-N17 VanDerWaalsContact OG-N 3.14Å; S13-N17 PolarHBondContact OG-O 3.39Å
14V96.7Very high96.5Very high23 Ų2393.8 Ų93.814%0.13951%0.505CS..G310 helixtrans-79122.5171-178.10000107.9Q16 N17 N81 Q110V14-Q16 PolarHBondContact O-N 3.23Å; V14-N17 WeakPolarHBondContact O-CB 3.49Å; V14-N17 PolarHBondContact O-N 2.96Å; V14-N81 HydrophobicContact CG1-CB 4.43Å; V14-Q110 HydrophobicContact CG2-CG 4.23Å
15L96.1Very high96.8Very high171 Ų17182.6 Ų82.690%0.89546%0.464SS*.G310 helixtrans47.338179.2-61.7177.8000114.4N17L15-N17 PolarHBondContact O-N 2.92Å
16Q95.9Very high97Very high124 Ų12479.8 Ų79.858%0.57943%0.434SS*.G310 helixtrans53.736.2-178.7-62.2176.1-21.800113.6V14 G18 V19V14-Q16 PolarHBondContact O-N 3.23Å; Q16-G18 PolarHBondContact O-N 3.06Å; Q16-V19 HydrophobicContact CB-CB 4.47Å; Q16-V19 HydrophobicContact CB-CG2 4.06Å; Q16-V19 PolarHBondContact O-N 3.47Å; Q16-V19 VanDerWaalsContact O-N 3.09Å
17N96.9Very high97.1Very high39 Ų3982.5 Ų82.521%0.20944%0.442CS..THydrogen-bonded Turntrans-51.1128.6177.2-166.521000110.9S13 V14 L15 R21 Y22 V23 Q25S13-N17 WeakPolarHBondContact OG-CB 3.36Å; S13-N17 PolarHBondContact OG-N 3.37Å; S13-N17 VanDerWaalsContact OG-N 3.14Å; S13-N17 PolarHBondContact OG-O 3.39Å; V14-N17 WeakPolarHBondContact O-CB 3.49Å; V14-N17 PolarHBondContact O-N 2.96Å; L15-N17 PolarHBondContact O-N 2.92Å; N17-R21 PolarHBondContact OD1-O 3.48Å; N17-Y22 VanDerWaalsContact OD1-CA 3.32Å; N17-Y22 WeakPolarHBondContact OD1-CA 3.28Å; N17-V23 PolarHBondContact ND2-O 3.3Å; N17-V23 PolarHBondContact OD1-N 2.91Å; N17-Q25 PolarHBondContact ND2-NE2 2.84Å
18G96.1Very high97.2Very high56 Ų5681.5 Ų81.558%0.57743%0.426SS*.THydrogen-bonded Turntrans96.8-13.3-17700000116.1Q16 R21Q16-G18 PolarHBondContact O-N 3.06Å; G18-R21 PolarHBondContact N-O 2.99Å
19V96.4Very high97.2Very high121 Ų12180.3 Ų80.373%0.73342%0.418SS*.THydrogen-bonded Turntrans-75.3-48.5174.9176.40000111.5Q16Q16-V19 HydrophobicContact CB-CB 4.47Å; Q16-V19 HydrophobicContact CB-CG2 4.06Å; Q16-V19 PolarHBondContact O-N 3.47Å; Q16-V19 VanDerWaalsContact O-N 3.09Å
20G97.4Very high97.3Very high78 Ų7879 Ų7980%0.80442%0.417SS*.SBendtrans-98-64.2176.300000112.2
21R97.3Very high97.3Very high208 Ų20873.8 Ų73.879%0.78539%0.394SS*.  trans-138.4159.5172.961.1177.8143.6-165.3-7.2110.6N17 G18 V23N17-R21 PolarHBondContact OD1-O 3.48Å; G18-R21 PolarHBondContact N-O 2.99Å; R21-V23 HydrophobicContact CG-CG2 4.31Å
22Y97.3Very high97.3Very high149 Ų14972 Ų7258%0.58438%0.384SS*.  trans-81.2134.5168.3174.3-99.4000110.7N17 C24N17-Y22 VanDerWaalsContact OD1-CA 3.32Å; N17-Y22 WeakPolarHBondContact OD1-CA 3.28Å; Y22-C24 HydrophobicContact CE1-CB 4.21Å
23V97.3Very high97.3Very high65 Ų6566 Ų6639%0.39436%0.358SS..  trans-126.2125.1169.3-177.50000108.3N17 R21 Q25 L80N17-V23 PolarHBondContact ND2-O 3.3Å; N17-V23 PolarHBondContact OD1-N 2.91Å; R21-V23 HydrophobicContact CG-CG2 4.31Å; V23-Q25 PolarHBondContact O-N 3.48Å; V23-Q25 PolarHBondContact O-NE2 3.42Å; V23-L80 HydrophobicContact CG1-CD1 4.01Å
24C97.4Very high97.3Very high37 Ų3764 Ų6425%0.2534%0.344CS..  trans-61.4131172.4-175.50000109.4Y22 L80Y22-C24 HydrophobicContact CE1-CB 4.21Å; C24-L80 WeakPolarHBondContact O-CD1 3.4Å
25Q98.4Very high97.3Very high13 Ų1370 Ų706%0.06137%0.368CS..  trans-87.4-20.6-174.8-61.9-58.1-58.900112.8N17 V23 K27 Y79 L80N17-Q25 PolarHBondContact ND2-NE2 2.84Å; V23-Q25 PolarHBondContact O-N 3.48Å; V23-Q25 PolarHBondContact O-NE2 3.42Å; Q25-K27 PolarHBondContact O-N 3.24Å; Q25-Y79 HydrophobicContact CB-CD1 4.24Å; Q25-Y79 CarbonylContact O-C 3.54Å; Q25-Y79 VanDerWaalsContact O-CA 3.23Å; Q25-Y79 WeakPolarHBondContact O-CA 3.39Å; Q25-L80 PolarHBondContact O-N 3.32Å
26L98.4Very high97.2Very high3 Ų371 Ų712%0.01637%0.365CS..EExtended strand (participates in β ladder)trans-71.8121.5175.4-177.664.4000109V29 T61 A77 Y79 T105L26-V29 HydrophobicContact CD1-CG2 4.02Å; L26-V29 HydrophobicContact CD2-CG2 3.63Å; L26-V29 HydrophobicContact CG-CG2 4.11Å; L26-T61 HydrophobicContact CD2-CG2 3.89Å; L26-T61 HydrophobicContact CG-CG2 3.92Å; L26-T61 PolarHBondContact O-OG1 3.25Å; L26-A77 HydrophobicContact CD1-CB 3.68Å; L26-Y79 HydrophobicContact CB-CD1 4.42Å; L26-Y79 HydrophobicContact CB-CE1 4.33Å; L26-Y79 HydrophobicContact CD1-CD1 4.41Å; L26-Y79 HydrophobicContact CD1-CE1 4.13Å; L26-T105 HydrophobicContact CD2-CG2 4.33Å; L26-T105 WeakPolarHBondContact CD2-OG1 3.45Å
27K97.6Very high97.1Very high100 Ų10066.1 Ų66.144%0.43535%0.345SS..EExtended strand (participates in β ladder)trans-99-43.5-178.5174.6-175.1169.7-175.10111.5Q25 V62 E78 L80Q25-K27 PolarHBondContact O-N 3.24Å; K27-V62 PolarHBondContact O-N 2.87Å; K27-E78 WeakPolarHBondContact CB-O 3.21Å; K27-E78 PolarHBondContact N-O 3.45Å; K27-L80 HydrophobicContact CB-CD2 4.03Å; K27-L80 HydrophobicContact CD-CD2 4.33Å; K27-L80 HydrophobicContact CG-CD2 4.35Å
28R98.5Very high96.9Very high72 Ų7269.5 Ų69.527%0.27237%0.369SS..EExtended strand (participates in β ladder)trans-147.4143-171.9-175.7-172-64.9163.1-11.3110.9V62 Y64 A77 E78R28-V62 CarbonylContact C-O 3.48Å; R28-V62 VanDerWaalsContact CA-O 3.29Å; R28-V62 WeakPolarHBondContact CA-O 3.4Å; R28-V62 HydrophobicContact CG-CB 4.49Å; R28-Y64 HydrophobicContact CG-CD2 3.67Å; R28-Y64 HydrophobicContact CG-CE2 3.74Å; R28-A77 WeakPolarHBondContact O-CA 3.48Å; R28-E78 HydrophobicContact CB-CB 4.21Å; R28-E78 IonicContact CZ-OE2 3.5Å; R28-E78 PolarHBondContact N-O 3.01Å; R28-E78 IonicContact NE-OE2 3.72Å; R28-E78 IonicContact NH1-OE1 3.14Å; R28-E78 PolarHBondContact NH1-OE1 2.97Å; R28-E78 VanDerWaalsContact NH1-OE1 3.14Å; R28-E78 IonicContact NH1-OE2 2.93Å; R28-E78 PolarHBondContact NH1-OE2 2.98Å; R28-E78 PolarHBondContact O-N 2.91Å
29V98.3Very high96.9Very high1 Ų167.5 Ų67.51%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-124.2129.8169.6179.50000109.3L26 I31 T61 V62 V63 Y64 V75 V76 L101L26-V29 HydrophobicContact CD1-CG2 4.02Å; L26-V29 HydrophobicContact CD2-CG2 3.63Å; L26-V29 HydrophobicContact CG-CG2 4.11Å; V29-I31 HydrophobicContact CG1-CG1 4.07Å; V29-T61 HydrophobicContact CG2-CG2 3.9Å; V29-V62 PolarHBondContact N-O 3.39Å; V29-V63 WeakPolarHBondContact O-CA 3.31Å; V29-Y64 PolarHBondContact O-N 3.06Å; V29-V75 HydrophobicContact CG1-CG2 3.26Å; V29-V76 CarbonylContact C-O 3.56Å; V29-V76 WeakPolarHBondContact CA-O 3.4Å; V29-L101 HydrophobicContact CG1-CD2 3.66Å
30S98.4Very high96.9Very high26 Ų2661.7 Ų61.718%0.18231%0.311CS..EExtended strand (participates in β ladder)trans-117.7109.8175.3-61.50000109.7V75 V76S30-V75 WeakPolarHBondContact O-CA 3.28Å; S30-V76 PolarHBondContact N-O 2.9Å; S30-V76 PolarHBondContact O-N 3.29Å
31I98.1Very high96.9Very high1 Ų162.4 Ų62.41%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-93.4117.4178.7-56.4173.5000108.5V29 V43 F46 I47 V63 Y64 S66 V75 L101V29-I31 HydrophobicContact CG1-CG1 4.07Å; I31-V43 HydrophobicContact CG2-CG1 3.73Å; I31-F46 HydrophobicContact CD1-CE1 4.32Å; I31-I47 HydrophobicContact CG2-CD1 4.29Å; I31-V63 HydrophobicContact CD1-CG1 4.43Å; I31-Y64 PolarHBondContact N-O 2.88Å; I31-S66 PolarHBondContact O-N 2.83Å; I31-V75 HydrophobicContact CG1-CG2 4.25Å; I31-L101 HydrophobicContact CD1-CD1 4.39Å
32M97.8Very high96.9Very high25 Ų2552.9 Ų52.912%0.12326%0.262CS..EExtended strand (participates in β ladder)trans-110.6122.8176.6-68.1166.8-86.300109.2S66 P73 K74 V76M32-S66 WeakPolarHBondContact CA-O 3.37Å; M32-P73 CarbonylContact O-C 3.52Å; M32-P73 VanDerWaalsContact O-CA 3.25Å; M32-P73 WeakPolarHBondContact O-CA 3.48Å; M32-K74 HydrophobicContact CB-CG 4.12Å; M32-K74 HydrophobicContact CE-CD 3.95Å; M32-K74 HydrophobicContact CE-CG 3.85Å; M32-K74 PolarHBondContact N-O 3.47Å; M32-K74 PolarHBondContact O-N 2.95Å; M32-K74 HydrophobicContact SD-CG 4.45Å; M32-V76 HydrophobicContact CE-CB 4.11Å; M32-V76 HydrophobicContact CE-CG2 3.31Å
33F97.1Very high96.9Very high19 Ų1945.8 Ų45.88%0.08323%0.234CC..EExtended strand (participates in β ladder)trans-148.7160.1-174.776.1-73.5000111.8A40 V43 R44 I47 V65 S66 P67 Q68 C70 P73F33-A40 HydrophobicContact CB-CB 4.35Å; F33-V43 HydrophobicContact CB-CB 4.46Å; F33-V43 HydrophobicContact CB-CG1 3.81Å; F33-V43 HydrophobicContact CG-CG1 4.26Å; F33-R44 HydrophobicContact CD2-CG 3.75Å; F33-R44 HydrophobicContact CE2-CG 3.73Å; F33-I47 HydrophobicContact CD1-CD1 3.52Å; F33-I47 HydrophobicContact CD2-CD1 4.16Å; F33-I47 HydrophobicContact CE1-CD1 3.42Å; F33-I47 VanDerWaalsContact CE1-CD1 3.42Å; F33-I47 HydrophobicContact CE2-CD1 4.07Å; F33-I47 HydrophobicContact CG-CD1 3.91Å; F33-I47 HydrophobicContact CZ-CD1 3.69Å; F33-V65 HydrophobicContact CD1-CG1 4.31Å; F33-V65 HydrophobicContact CE1-CG1 3.54Å; F33-V65 HydrophobicContact CZ-CG1 4.32Å; F33-S66 PolarHBondContact N-O 2.91Å; F33-P67 HydrophobicContact CE1-CB 4.12Å; F33-P67 HydrophobicContact CZ-CB 4.07Å; F33-P67 CarbonylContact O-C 3.57Å; F33-P67 WeakPolarHBondContact O-CA 3.45Å; F33-Q68 PolarHBondContact O-N 3.38Å; F33-C70 VanDerWaalsContact C-SG 3.59Å; F33-P73 HydrophobicContact CB-CB 4.13Å
34S96.2Very high96.9Very high14 Ų1444.7 Ų44.710%0.09822%0.223CC..  trans-97.4140.9172.61660000112K36 S37 R44 Q68 C70S34-K36 VanDerWaalsContact C-N 3.27Å; S34-K36 PolarHBondContact O-N 3.04Å; S34-K36 PolarHBondContact OG-N 2.78Å; S34-S37 PolarHBondContact OG-N 3.04Å; S34-R44 PolarHBondContact O-NH1 2.92Å; S34-Q68 VanDerWaalsContact CA-O 3.31Å; S34-Q68 WeakPolarHBondContact CA-O 3.49Å; S34-C70 WeakPolarHBondContact CB-O 3.39Å
35K95.4Very high96.9Very high147 Ų14745.9 Ų45.964%0.63923%0.227SC*.SBendtrans-67.4-26.7176.6-62.6-175180-175.40113R44 P67K35-R44 PolarHBondContact O-NH1 3.17Å; K35-P67 HydrophobicContact CD-CB 4.32Å; K35-P67 VanDerWaalsContact CE-CB 3.45Å; K35-P67 HydrophobicContact CG-CB 4Å
36K94.1Very high96.9Very high193 Ų19345.3 Ų45.384%0.83922%0.224SC*.SBendtrans-114.9-24.3-170-63.5-177.5178.8-177.50114S34S34-K36 VanDerWaalsContact C-N 3.27Å; S34-K36 PolarHBondContact O-N 3.04Å; S34-K36 PolarHBondContact OG-N 2.78Å
37S93.9Very high96.9Very high21 Ų2146.7 Ų46.715%0.14723%0.232CC..  trans-66133.6-174-171.10000111.5S34 S39 A40 R44S34-S37 PolarHBondContact OG-N 3.04Å; S37-S39 PolarHBondContact O-N 3.09Å; S37-S39 PolarHBondContact OG-OG 3.02Å; S37-A40 PolarHBondContact O-N 3.02Å; S37-R44 PolarHBondContact O-NH1 2.93Å; S37-R44 PolarHBondContact O-NH2 2.78Å
38P94.5Very high96.8Very high110 Ų11049.3 Ų49.371%0.71425%0.245SC*.G310 helixtrans-59.3-34.9173.2-24.134.1000113A40 L41P38-A40 PolarHBondContact O-N 2.86Å; P38-A40 VanDerWaalsContact O-N 3.08Å; P38-L41 VanDerWaalsContact O-CB 3.26Å; P38-L41 WeakPolarHBondContact O-CB 3.34Å; P38-L41 PolarHBondContact O-N 2.81Å
39S95.1Very high96.7Very high14 Ų1453.3 Ų53.310%0.09827%0.267CS..G310 helixtrans-62.1-19.3-179.960.20000114.6S37 S71 N91S37-S39 PolarHBondContact O-N 3.09Å; S37-S39 PolarHBondContact OG-OG 3.02Å; S39-S71 PolarHBondContact OG-O 2.92Å; S39-N91 VanDerWaalsContact CA-OD1 3.31Å; S39-N91 WeakPolarHBondContact CA-OD1 3.36Å; S39-N91 PolarHBondContact O-N 3.38Å
40A96.3Very high96.7Very high0 Ų054.1 Ų54.10%028%0.275CS..G310 helixtrans-102.611.5179.300000113.1F33 S37 P38 V43 R44 P73F33-A40 HydrophobicContact CB-CB 4.35Å; S37-A40 PolarHBondContact O-N 3.02Å; P38-A40 PolarHBondContact O-N 2.86Å; P38-A40 VanDerWaalsContact O-N 3.08Å; A40-V43 PolarHBondContact O-N 2.84Å; A40-R44 PolarHBondContact O-N 3.4Å; A40-P73 HydrophobicContact CB-CB 4.01Å; A40-P73 HydrophobicContact CB-CG 3.94Å
41L96.6Very high96.6Very high93 Ų9353.7 Ų53.749%0.48727%0.271SS..Hα-helixtrans-55.7-59.9-178.8179.963000112P38 V43 R44 D45P38-L41 VanDerWaalsContact O-CB 3.26Å; P38-L41 WeakPolarHBondContact O-CB 3.34Å; P38-L41 PolarHBondContact O-N 2.81Å; L41-V43 PolarHBondContact O-N 3.34Å; L41-V43 VanDerWaalsContact O-N 3.1Å; L41-R44 WeakPolarHBondContact O-CA 3.48Å; L41-R44 WeakPolarHBondContact O-CB 3.41Å; L41-R44 PolarHBondContact O-N 2.87Å; L41-D45 VanDerWaalsContact O-CG 3.32Å; L41-D45 PolarHBondContact O-N 2.87Å
42G97.3Very high96.6Very high7 Ų757.7 Ų57.77%0.07230%0.296CS..Hα-helixtrans-66-18.9-178.800000114.5F46 K92 S94G42-F46 WeakPolarHBondContact O-CB 3.26Å; G42-F46 PolarHBondContact O-N 3.18Å; G42-K92 VanDerWaalsContact CA-O 3.3Å; G42-K92 WeakPolarHBondContact CA-O 3.39Å; G42-S94 WeakPolarHBondContact O-CA 3.3Å
43V97.8Very high96.6Very high0 Ų061.2 Ų61.20%032%0.315CS..Hα-helixtrans-73.2-38.5170.9-177.90000110.9I31 F33 A40 L41 F46 I47 P73 L89 V97I31-V43 HydrophobicContact CG2-CG1 3.73Å; F33-V43 HydrophobicContact CB-CB 4.46Å; F33-V43 HydrophobicContact CB-CG1 3.81Å; F33-V43 HydrophobicContact CG-CG1 4.26Å; A40-V43 PolarHBondContact O-N 2.84Å; L41-V43 PolarHBondContact O-N 3.34Å; L41-V43 VanDerWaalsContact O-N 3.1Å; V43-F46 PolarHBondContact O-N 2.95Å; V43-I47 HydrophobicContact CG1-CD1 3.95Å; V43-I47 WeakPolarHBondContact O-CD1 3.5Å; V43-I47 WeakPolarHBondContact O-CG1 3.31Å; V43-I47 PolarHBondContact O-N 3.47Å; V43-P73 HydrophobicContact CG2-CB 4.08Å; V43-P73 HydrophobicContact CG2-CG 4.18Å; V43-L89 HydrophobicContact CG1-CD1 4.48Å; V43-L89 HydrophobicContact CG2-CB 3.68Å; V43-L89 HydrophobicContact CG2-CD1 4.06Å; V43-V97 HydrophobicContact CG2-CG2 3.95Å
44R97.7Very high96.6Very high42 Ų4260.6 Ų60.616%0.15831%0.313CS..Hα-helixtrans-64.8-47.6173.6-70.5-172.4-64.9-92.71.4110.9F33 S34 K35 S37 A40 L41 F46 I47 E48F33-R44 HydrophobicContact CD2-CG 3.75Å; F33-R44 HydrophobicContact CE2-CG 3.73Å; S34-R44 PolarHBondContact O-NH1 2.92Å; K35-R44 PolarHBondContact O-NH1 3.17Å; S37-R44 PolarHBondContact O-NH1 2.93Å; S37-R44 PolarHBondContact O-NH2 2.78Å; A40-R44 PolarHBondContact O-N 3.4Å; L41-R44 WeakPolarHBondContact O-CA 3.48Å; L41-R44 WeakPolarHBondContact O-CB 3.41Å; L41-R44 PolarHBondContact O-N 2.87Å; R44-F46 VanDerWaalsContact C-N 3.25Å; R44-F46 PolarHBondContact O-N 3.23Å; R44-I47 WeakPolarHBondContact O-CA 3.46Å; R44-I47 WeakPolarHBondContact O-CB 3.29Å; R44-I47 PolarHBondContact O-N 3.1Å; R44-E48 WeakPolarHBondContact O-CG 3.31Å; R44-E48 PolarHBondContact O-N 3.27Å
45D97.9Very high96.7Very high62 Ų6261.7 Ų61.733%0.33232%0.323SS..Hα-helixtrans-57.4-42.1177.5-52.9-14.2000110.7L41 E48 E49L41-D45 VanDerWaalsContact O-CG 3.32Å; L41-D45 PolarHBondContact O-N 2.87Å; D45-E48 PolarHBondContact O-N 3.03Å; D45-E49 PolarHBondContact O-N 3.08Å; D45-E49 VanDerWaalsContact O-N 3.1Å
46F98.3Very high96.8Very high1 Ų161.9 Ų61.90%0.00432%0.323CS..Hα-helixtrans-64.7-38.2174.3178.3-98.8000113.2I31 G42 V43 R44 E48 G50 V51 F54 S94 V97 L98 L101I31-F46 HydrophobicContact CD1-CE1 4.32Å; G42-F46 WeakPolarHBondContact O-CB 3.26Å; G42-F46 PolarHBondContact O-N 3.18Å; V43-F46 PolarHBondContact O-N 2.95Å; R44-F46 VanDerWaalsContact C-N 3.25Å; R44-F46 PolarHBondContact O-N 3.23Å; F46-E48 VanDerWaalsContact C-N 3.33Å; F46-G50 CarbonylContact O-C 3.57Å; F46-G50 VanDerWaalsContact O-CA 3.28Å; F46-G50 WeakPolarHBondContact O-CA 3.46Å; F46-G50 PolarHBondContact O-N 3.24Å; F46-V51 HydrophobicContact CD1-CB 4.42Å; F46-V51 HydrophobicContact CE1-CB 3.96Å; F46-V51 HydrophobicContact CE1-CG2 4.16Å; F46-V51 HydrophobicContact CZ-CB 4.49Å; F46-V51 PolarHBondContact O-N 2.94Å; F46-F54 HydrophobicContact CZ-CB 4.09Å; F46-F54 HydrophobicContact CZ-CG 4.48Å; F46-S94 WeakPolarHBondContact CA-OG 3.3Å; F46-V97 HydrophobicContact CB-CB 4.29Å; F46-V97 HydrophobicContact CB-CG1 4.13Å; F46-V97 HydrophobicContact CD1-CG1 3.74Å; F46-V97 HydrophobicContact CD2-CG1 4.36Å; F46-V97 HydrophobicContact CE1-CG1 4.3Å; F46-V97 HydrophobicContact CG-CB 4.24Å; F46-V97 HydrophobicContact CG-CG1 3.78Å; F46-L98 HydrophobicContact CD2-CB 4.28Å; F46-L98 HydrophobicContact CE2-CB 3.88Å; F46-L98 HydrophobicContact CE2-CD1 4.04Å; F46-L98 HydrophobicContact CE2-CG 4.47Å; F46-L98 HydrophobicContact CZ-CD1 4.47Å; F46-L101 HydrophobicContact CD1-CD1 4.2Å; F46-L101 HydrophobicContact CE1-CD1 3.28Å; F46-L101 HydrophobicContact CE2-CD1 4.32Å; F46-L101 HydrophobicContact CZ-CD1 3.36Å
47I97.6Very high97Very high33 Ų3360.6 Ų60.617%0.16932%0.318CS..Hα-helixtrans-67.7-35.9177.6-72.2162.8000111.2I31 F33 V43 R44 V51 V65I31-I47 HydrophobicContact CG2-CD1 4.29Å; F33-I47 HydrophobicContact CD1-CD1 3.52Å; F33-I47 HydrophobicContact CD2-CD1 4.16Å; F33-I47 HydrophobicContact CE1-CD1 3.42Å; F33-I47 VanDerWaalsContact CE1-CD1 3.42Å; F33-I47 HydrophobicContact CE2-CD1 4.07Å; F33-I47 HydrophobicContact CG-CD1 3.91Å; F33-I47 HydrophobicContact CZ-CD1 3.69Å; V43-I47 HydrophobicContact CG1-CD1 3.95Å; V43-I47 WeakPolarHBondContact O-CD1 3.5Å; V43-I47 WeakPolarHBondContact O-CG1 3.31Å; V43-I47 PolarHBondContact O-N 3.47Å; R44-I47 WeakPolarHBondContact O-CA 3.46Å; R44-I47 WeakPolarHBondContact O-CB 3.29Å; R44-I47 PolarHBondContact O-N 3.1Å; I47-V51 WeakPolarHBondContact O-CG1 3.46Å; I47-V65 HydrophobicContact CD1-CG1 3.7Å; I47-V65 HydrophobicContact CG1-CG1 4.14Å; I47-V65 HydrophobicContact CG2-CG1 4.07Å
48E96.9Very high97.1Very high154 Ų15461 Ų6172%0.7232%0.318SS*.Hα-helixtrans-72.5-43.8-179.4-71.5176.5-172.400111.9R44 D45 F46R44-E48 WeakPolarHBondContact O-CG 3.31Å; R44-E48 PolarHBondContact O-N 3.27Å; D45-E48 PolarHBondContact O-N 3.03Å; F46-E48 VanDerWaalsContact C-N 3.33Å
49E96.4Very high97.3Very high157 Ų15761.4 Ų61.473%0.73432%0.321SS*.Hα-helixtrans-109.7-31-170.8-61.3-176.2165.200114.5D45D45-E49 PolarHBondContact O-N 3.08Å; D45-E49 VanDerWaalsContact O-N 3.1Å
50G96.4Very high97.3Very high17 Ų1763.8 Ų63.818%0.17535%0.348CS..THydrogen-bonded Turntrans-108.2-29.2-165.200000116.3F46 V52 D53 F54F46-G50 CarbonylContact O-C 3.57Å; F46-G50 VanDerWaalsContact O-CA 3.28Å; F46-G50 WeakPolarHBondContact O-CA 3.46Å; F46-G50 PolarHBondContact O-N 3.24Å; G50-V52 VanDerWaalsContact C-N 3.32Å; G50-V52 PolarHBondContact O-N 3.34Å; G50-D53 PolarHBondContact O-N 3.45Å; G50-F54 PolarHBondContact O-N 3.49Å
51V97.4Very high97.4Very high17 Ų1764.3 Ų64.310%0.10335%0.351CS..Hα-helixtrans-64.7-35.4-168.672.90000113.3F46 I47 F54 A55 V63 V65F46-V51 HydrophobicContact CD1-CB 4.42Å; F46-V51 HydrophobicContact CE1-CB 3.96Å; F46-V51 HydrophobicContact CE1-CG2 4.16Å; F46-V51 HydrophobicContact CZ-CB 4.49Å; F46-V51 PolarHBondContact O-N 2.94Å; I47-V51 WeakPolarHBondContact O-CG1 3.46Å; V51-F54 PolarHBondContact O-N 2.76Å; V51-A55 PolarHBondContact O-N 3.42Å; V51-V63 HydrophobicContact CG2-CG1 3.82Å; V51-V65 HydrophobicContact CG2-CG2 4.26Å
52V97.7Very high97.5Very high86 Ų8663.3 Ų63.352%0.52135%0.348SS..Hα-helixtrans-68.7-43-179.4176.20000110.4G50 A55 K56G50-V52 VanDerWaalsContact C-N 3.32Å; G50-V52 PolarHBondContact O-N 3.34Å; V52-A55 PolarHBondContact O-N 2.75Å; V52-K56 HydrophobicContact CG1-CD 4.35Å; V52-K56 WeakPolarHBondContact O-CG 2.99Å; V52-K56 PolarHBondContact O-N 2.92Å
53D97.9Very high97.6Very high98 Ų9864.6 Ų64.652%0.52436%0.355SS..Hα-helixtrans-69-36.7178.2-70.3-17.5000111.6G50 A55 K56 K57G50-D53 PolarHBondContact O-N 3.45Å; D53-A55 VanDerWaalsContact C-N 3.35Å; D53-A55 PolarHBondContact O-N 3.01Å; D53-K56 PolarHBondContact O-N 3.23Å; D53-K56 IonicContact OD1-NZ 3.68Å; D53-K57 WeakPolarHBondContact O-CB 3.43Å; D53-K57 PolarHBondContact O-N 2.94Å
54F97.9Very high97.6Very high7 Ų770.3 Ų70.33%0.03138%0.377CS..Hα-helixtrans-58.2-45.7169.7172.8-93.8000112F46 G50 V51 K57 N58 V63 L98 L101F46-F54 HydrophobicContact CZ-CB 4.09Å; F46-F54 HydrophobicContact CZ-CG 4.48Å; G50-F54 PolarHBondContact O-N 3.49Å; V51-F54 PolarHBondContact O-N 2.76Å; F54-K57 PolarHBondContact O-N 3.49Å; F54-N58 WeakPolarHBondContact CD2-ND2 3.46Å; F54-N58 VanDerWaalsContact CE2-ND2 3.31Å; F54-N58 WeakPolarHBondContact CE2-ND2 3.35Å; F54-N58 PolarHBondContact O-N 3.34Å; F54-N58 PolarHBondContact O-ND2 3.17Å; F54-V63 HydrophobicContact CD1-CG2 4Å; F54-V63 HydrophobicContact CE1-CG2 3.84Å; F54-L98 HydrophobicContact CD2-CD1 4.13Å; F54-L101 HydrophobicContact CD2-CB 4.29Å; F54-L101 HydrophobicContact CE2-CB 3.81Å; F54-L101 HydrophobicContact CZ-CB 4.14Å
55A97.7Very high97.6Very high37 Ų3771.2 Ų71.231%0.30639%0.387SS..Hα-helixtrans-66.8-39.917900000112.3V51 V52 D53 K57 N58 V63V51-A55 PolarHBondContact O-N 3.42Å; V52-A55 PolarHBondContact O-N 2.75Å; D53-A55 VanDerWaalsContact C-N 3.35Å; D53-A55 PolarHBondContact O-N 3.01Å; A55-K57 VanDerWaalsContact C-N 3.33Å; A55-K57 PolarHBondContact O-N 3.09Å; A55-N58 CarbonylContact O-C 3.19Å; A55-N58 PolarHBondContact O-N 3.27Å; A55-V63 HydrophobicContact CB-CG2 4.31Å
56K97.8Very high97.5Very high150 Ų15070.5 Ų70.565%0.65239%0.387SS*.Hα-helixtrans-62-40.3174.4-74172.9-177166.20112.2V52 D53 N58V52-K56 HydrophobicContact CG1-CD 4.35Å; V52-K56 WeakPolarHBondContact O-CG 2.99Å; V52-K56 PolarHBondContact O-N 2.92Å; D53-K56 PolarHBondContact O-N 3.23Å; D53-K56 IonicContact OD1-NZ 3.68Å; K56-N58 VanDerWaalsContact C-N 3.3Å
57K97.7Very high97.4Very high166 Ų16673.4 Ų73.472%0.72241%0.406SS*.Hα-helixtrans-69.2-29.3177.2-173175.4178.9-177.60112.4D53 F54 A55 P59D53-K57 WeakPolarHBondContact O-CB 3.43Å; D53-K57 PolarHBondContact O-N 2.94Å; F54-K57 PolarHBondContact O-N 3.49Å; A55-K57 VanDerWaalsContact C-N 3.33Å; A55-K57 PolarHBondContact O-N 3.09Å; K57-P59 VanDerWaalsContact C-CD 3.41Å; K57-P59 VanDerWaalsContact O-CD 3.28Å; K57-P59 WeakPolarHBondContact O-CD 3.46Å
58N97.3Very high97.2Very high31 Ų3175.9 Ų75.917%0.16642%0.417CS..  trans-120.567.1-176.8-57.8-71.3000111.6F54 A55 K56 G60 T61 T105F54-N58 WeakPolarHBondContact CD2-ND2 3.46Å; F54-N58 VanDerWaalsContact CE2-ND2 3.31Å; F54-N58 WeakPolarHBondContact CE2-ND2 3.35Å; F54-N58 PolarHBondContact O-N 3.34Å; F54-N58 PolarHBondContact O-ND2 3.17Å; A55-N58 CarbonylContact O-C 3.19Å; A55-N58 PolarHBondContact O-N 3.27Å; K56-N58 VanDerWaalsContact C-N 3.3Å; N58-G60 PolarHBondContact O-N 2.93Å; N58-G60 VanDerWaalsContact O-N 3.09Å; N58-T61 PolarHBondContact O-N 3.14Å; N58-T105 WeakPolarHBondContact OD1-CG2 3.42Å
59P97.4Very high96.9Very high118 Ų11877.5 Ų77.577%0.76643%0.429SS*.THydrogen-bonded Turntrans-65.5-17.9-172.827.1-36000114.1K57 T61K57-P59 VanDerWaalsContact C-CD 3.41Å; K57-P59 VanDerWaalsContact O-CD 3.28Å; K57-P59 WeakPolarHBondContact O-CD 3.46Å; P59-T61 VanDerWaalsContact C-N 3.33Å
60G96.4Very high96.4Very high64 Ų6471.3 Ų71.366%0.6640%0.403SS*.THydrogen-bonded Turntrans-79.9-10.9175.200000114.6N58N58-G60 PolarHBondContact O-N 2.93Å; N58-G60 VanDerWaalsContact O-N 3.09Å
61T97.9Very high95.9Very high10 Ų1074.7 Ų74.76%0.06142%0.424CS..SBendtrans-105.6124.3-175.4-59.30000110.4L26 V29 N58 P59L26-T61 HydrophobicContact CD2-CG2 3.89Å; L26-T61 HydrophobicContact CG-CG2 3.92Å; L26-T61 PolarHBondContact O-OG1 3.25Å; V29-T61 HydrophobicContact CG2-CG2 3.9Å; N58-T61 PolarHBondContact O-N 3.14Å; P59-T61 VanDerWaalsContact C-N 3.33Å
62V98.3Very high95.8Very high72 Ų7278.2 Ų78.244%0.43644%0.442SS..EExtended strand (participates in β ladder)trans-82.9128174-1760000110K27 R28 V29 Y64K27-V62 PolarHBondContact O-N 2.87Å; R28-V62 CarbonylContact C-O 3.48Å; R28-V62 VanDerWaalsContact CA-O 3.29Å; R28-V62 WeakPolarHBondContact CA-O 3.4Å; R28-V62 HydrophobicContact CG-CB 4.49Å; V29-V62 PolarHBondContact N-O 3.39Å; V62-Y64 HydrophobicContact CB-CE2 4.32Å; V62-Y64 HydrophobicContact CG1-CD2 4.05Å; V62-Y64 HydrophobicContact CG1-CE2 3.42Å; V62-Y64 VanDerWaalsContact CG1-CE2 3.42Å
63V98.3Very high95.7Very high35 Ų3574.1 Ų74.121%0.21242%0.417CS..EExtended strand (participates in β ladder)trans-109.4119.9179.8-1740000110.3V29 I31 V51 F54 A55 V65V29-V63 WeakPolarHBondContact O-CA 3.31Å; I31-V63 HydrophobicContact CD1-CG1 4.43Å; V51-V63 HydrophobicContact CG2-CG1 3.82Å; F54-V63 HydrophobicContact CD1-CG2 4Å; F54-V63 HydrophobicContact CE1-CG2 3.84Å; A55-V63 HydrophobicContact CB-CG2 4.31Å; V63-V65 HydrophobicContact CG1-CG2 4.4Å
64Y98.3Very high95.7Very high120 Ų12072.1 Ų72.147%0.47140%0.403SS..EExtended strand (participates in β ladder)trans-105.6134.9171-67.8-84.1000110.3R28 V29 I31 V62R28-Y64 HydrophobicContact CG-CD2 3.67Å; R28-Y64 HydrophobicContact CG-CE2 3.74Å; V29-Y64 PolarHBondContact O-N 3.06Å; I31-Y64 PolarHBondContact N-O 2.88Å; V62-Y64 HydrophobicContact CB-CE2 4.32Å; V62-Y64 HydrophobicContact CG1-CD2 4.05Å; V62-Y64 HydrophobicContact CG1-CE2 3.42Å; V62-Y64 VanDerWaalsContact CG1-CE2 3.42Å
65V97.6Very high95.7Very high61 Ų6171.8 Ų71.837%0.3740%0.402SS..EExtended strand (participates in β ladder)trans-118.9110.2176.11780000107.8F33 I47 V51 V63F33-V65 HydrophobicContact CD1-CG1 4.31Å; F33-V65 HydrophobicContact CE1-CG1 3.54Å; F33-V65 HydrophobicContact CZ-CG1 4.32Å; I47-V65 HydrophobicContact CD1-CG1 3.7Å; I47-V65 HydrophobicContact CG1-CG1 4.14Å; I47-V65 HydrophobicContact CG2-CG1 4.07Å; V51-V65 HydrophobicContact CG2-CG2 4.26Å; V63-V65 HydrophobicContact CG1-CG2 4.4Å
66S96.2Very high95.8Very high47 Ų4771 Ų7133%0.32939%0.393SS..EExtended strand (participates in β ladder)trans-116.7107.5-177.4-176.10000110.2I31 M32 F33 Q68I31-S66 PolarHBondContact O-N 2.83Å; M32-S66 WeakPolarHBondContact CA-O 3.37Å; F33-S66 PolarHBondContact N-O 2.91Å; S66-Q68 PolarHBondContact O-N 2.75Å
67P95.7Very high95.8Very high62 Ų6263.9 Ų63.940%0.40336%0.362SS..EExtended strand (participates in β ladder)trans-68.1128.5167.427.9-31.6000109.6F33 K35F33-P67 HydrophobicContact CE1-CB 4.12Å; F33-P67 HydrophobicContact CZ-CB 4.07Å; F33-P67 CarbonylContact O-C 3.57Å; F33-P67 WeakPolarHBondContact O-CA 3.45Å; K35-P67 HydrophobicContact CD-CB 4.32Å; K35-P67 VanDerWaalsContact CE-CB 3.45Å; K35-P67 HydrophobicContact CG-CB 4Å
68Q94.2Very high95.8Very high84 Ų8458.2 Ų58.239%0.39334%0.339SS..  trans-133.4156.5179.5-65.4-170.8-7.400110.8F33 S34 S66 C70F33-Q68 PolarHBondContact O-N 3.38Å; S34-Q68 VanDerWaalsContact CA-O 3.31Å; S34-Q68 WeakPolarHBondContact CA-O 3.49Å; S66-Q68 PolarHBondContact O-N 2.75Å; Q68-C70 HydrophobicContact CB-CB 4.44Å; Q68-C70 PolarHBondContact O-N 2.88Å
69L90.5Very high95.9Very high188 Ų18857.1 Ų57.198%0.98433%0.332SS*.SBendtrans-78.268169.7-66.3174000109.5
70C86.3Confident95.9Very high27 Ų2756 Ų5618%0.18232%0.319CS..  trans-119.3138.6179.664.30000111.4F33 S34 Q68F33-C70 VanDerWaalsContact C-SG 3.59Å; S34-C70 WeakPolarHBondContact CB-O 3.39Å; Q68-C70 HydrophobicContact CB-CB 4.44Å; Q68-C70 PolarHBondContact O-N 2.88Å
71S85.1Confident95.9Very high89 Ų8955.7 Ų55.762%0.62230%0.302SS*.SBendtrans-77.2-27.3174-171.90000112.2S39S39-S71 PolarHBondContact OG-O 2.92Å
72I94.7Very high95.9Very high90 Ų9058.1 Ų58.146%0.46233%0.33SS..SBendtrans-116.4109.1-174.9-56.8173.7000108.1L88I72-L88 HydrophobicContact CG2-CD1 4.4Å; I72-L88 HydrophobicContact CG2-CD2 3.85Å
73P97.1Very high95.9Very high0 Ų057.6 Ų57.60%032%0.324CS..  trans-70.5146.5175.132.1-36.3000110.1M32 F33 A40 V43 L89M32-P73 CarbonylContact O-C 3.52Å; M32-P73 VanDerWaalsContact O-CA 3.25Å; M32-P73 WeakPolarHBondContact O-CA 3.48Å; F33-P73 HydrophobicContact CB-CB 4.13Å; A40-P73 HydrophobicContact CB-CB 4.01Å; A40-P73 HydrophobicContact CB-CG 3.94Å; V43-P73 HydrophobicContact CG2-CB 4.08Å; V43-P73 HydrophobicContact CG2-CG 4.18Å; P73-L89 HydrophobicContact CB-CB 4.35Å; P73-L89 HydrophobicContact CG-CB 4.27Å; P73-L89 PolarHBondContact O-N 3.23Å
74K97.6Very high95.8Very high56 Ų5660.2 Ų60.224%0.24334%0.341CS..EExtended strand (participates in β ladder)trans-148.7160-177.959.4168.5-179.8174.70112M32 E86 E87 L88M32-K74 HydrophobicContact CB-CG 4.12Å; M32-K74 HydrophobicContact CE-CD 3.95Å; M32-K74 HydrophobicContact CE-CG 3.85Å; M32-K74 PolarHBondContact N-O 3.47Å; M32-K74 PolarHBondContact O-N 2.95Å; M32-K74 HydrophobicContact SD-CG 4.45Å; K74-E86 VanDerWaalsContact CD-CD 3.4Å; K74-E86 HydrophobicContact CD-CG 3.98Å; K74-E86 WeakPolarHBondContact CD-OE1 3.48Å; K74-E86 IonicContact NZ-OE1 2.85Å; K74-E86 PolarHBondContact NZ-OE1 3.01Å; K74-E86 IonicContact NZ-OE2 2.88Å; K74-E86 PolarHBondContact NZ-OE2 2.61Å; K74-E87 WeakPolarHBondContact CA-O 3.44Å; K74-L88 HydrophobicContact CB-CD2 4.15Å
75V98.3Very high95.8Very high0 Ų057 Ų570%033%0.329CS..EExtended strand (participates in β ladder)trans-121.4137.4173.261.80000110V29 S30 I31 E86 E87 L89 V100 L101 L104V29-V75 HydrophobicContact CG1-CG2 3.26Å; S30-V75 WeakPolarHBondContact O-CA 3.28Å; I31-V75 HydrophobicContact CG1-CG2 4.25Å; V75-E86 WeakPolarHBondContact O-CA 3.35Å; V75-E87 HydrophobicContact CG1-CB 3.97Å; V75-E87 PolarHBondContact N-O 2.92Å; V75-E87 PolarHBondContact O-N 3.03Å; V75-L89 HydrophobicContact CB-CD1 3.93Å; V75-L89 HydrophobicContact CB-CG 4.3Å; V75-L89 HydrophobicContact CG1-CD1 4.16Å; V75-L89 HydrophobicContact CG1-CD2 4.02Å; V75-L89 HydrophobicContact CG1-CG 4.07Å; V75-V100 HydrophobicContact CG1-CG1 4.28Å; V75-L101 HydrophobicContact CG2-CD2 3.97Å; V75-L104 HydrophobicContact CG1-CD1 3.78Å; V75-L104 HydrophobicContact CG2-CD1 4.37Å
76V98.4Very high95.8Very high21 Ų2159 Ų5913%0.12733%0.334CS..EExtended strand (participates in β ladder)trans-114.9117.7173.9175.40000108.4V29 S30 M32 T84 E86V29-V76 CarbonylContact C-O 3.56Å; V29-V76 WeakPolarHBondContact CA-O 3.4Å; S30-V76 PolarHBondContact N-O 2.9Å; S30-V76 PolarHBondContact O-N 3.29Å; M32-V76 HydrophobicContact CE-CB 4.11Å; M32-V76 HydrophobicContact CE-CG2 3.31Å; V76-T84 HydrophobicContact CG1-CG2 3.37Å; V76-E86 HydrophobicContact CG2-CB 4.4Å; V76-E86 HydrophobicContact CG2-CG 4.17Å
77A98.6Very high95.9Very high0 Ų058.5 Ų58.50%033%0.327CS..EExtended strand (participates in β ladder)trans-103.7123.1177.100000110L26 R28 Y79 T84 K85 L104L26-A77 HydrophobicContact CD1-CB 3.68Å; R28-A77 WeakPolarHBondContact O-CA 3.48Å; A77-Y79 HydrophobicContact CB-CE2 4.04Å; A77-T84 CarbonylContact O-C 3.53Å; A77-T84 VanDerWaalsContact O-CA 3.31Å; A77-T84 WeakPolarHBondContact O-CA 3.39Å; A77-K85 PolarHBondContact N-O 3.37Å; A77-K85 PolarHBondContact O-N 3.3Å; A77-L104 HydrophobicContact CB-CB 4.35Å; A77-L104 HydrophobicContact CB-CD1 4.17Å; A77-L104 HydrophobicContact CB-CD2 4.1Å; A77-L104 HydrophobicContact CB-CG 4.44Å
78E98.6Very high96Very high48 Ų4860.1 Ų60.122%0.22433%0.332CS..EExtended strand (participates in β ladder)trans-105.6132.5175-60.3172-158.400109.6K27 R28 T84K27-E78 WeakPolarHBondContact CB-O 3.21Å; K27-E78 PolarHBondContact N-O 3.45Å; R28-E78 HydrophobicContact CB-CB 4.21Å; R28-E78 IonicContact CZ-OE2 3.5Å; R28-E78 PolarHBondContact N-O 3.01Å; R28-E78 IonicContact NE-OE2 3.72Å; R28-E78 IonicContact NH1-OE1 3.14Å; R28-E78 PolarHBondContact NH1-OE1 2.97Å; R28-E78 VanDerWaalsContact NH1-OE1 3.14Å; R28-E78 IonicContact NH1-OE2 2.93Å; R28-E78 PolarHBondContact NH1-OE2 2.98Å; R28-E78 PolarHBondContact O-N 2.91Å; E78-T84 HydrophobicContact CG-CG2 4.37Å
79Y98.6Very high96.1Very high8 Ų856.1 Ų56.13%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-108.7160.7-178-62.2-92.2000112Q25 L26 A77 N81 G82 N83 K85 L104 Q107Q25-Y79 HydrophobicContact CB-CD1 4.24Å; Q25-Y79 CarbonylContact O-C 3.54Å; Q25-Y79 VanDerWaalsContact O-CA 3.23Å; Q25-Y79 WeakPolarHBondContact O-CA 3.39Å; L26-Y79 HydrophobicContact CB-CD1 4.42Å; L26-Y79 HydrophobicContact CB-CE1 4.33Å; L26-Y79 HydrophobicContact CD1-CD1 4.41Å; L26-Y79 HydrophobicContact CD1-CE1 4.13Å; A77-Y79 HydrophobicContact CB-CE2 4.04Å; Y79-N81 VanDerWaalsContact CB-OD1 3.24Å; Y79-N81 WeakPolarHBondContact CB-OD1 3.47Å; Y79-N81 PolarHBondContact O-N 2.83Å; Y79-G82 PolarHBondContact O-N 3.28Å; Y79-N83 WeakPolarHBondContact CD2-O 3.39Å; Y79-N83 PolarHBondContact N-O 3.41Å; Y79-K85 HydrophobicContact CE2-CB 4Å; Y79-L104 WeakPolarHBondContact CE1-O 3.24Å; Y79-L104 PolarHBondContact OH-O 3.17Å; Y79-L104 VanDerWaalsContact OH-O 3.11Å; Y79-Q107 HydrophobicContact CE1-CB 4.04Å; Y79-Q107 WeakPolarHBondContact CE1-O 3.39Å
80L98.1Very high96.4Very high93 Ų9349.1 Ų49.149%0.48728%0.28SS..THydrogen-bonded Turntrans-61.5-27-179-67.8179.3000114V23 C24 Q25 K27 G82V23-L80 HydrophobicContact CG1-CD1 4.01Å; C24-L80 WeakPolarHBondContact O-CD1 3.4Å; Q25-L80 PolarHBondContact O-N 3.32Å; K27-L80 HydrophobicContact CB-CD2 4.03Å; K27-L80 HydrophobicContact CD-CD2 4.33Å; K27-L80 HydrophobicContact CG-CD2 4.35Å; L80-G82 PolarHBondContact O-N 3.41Å
81N96.4Very high96.9Very high58 Ų5854 Ų5431%0.3130%0.304SS..THydrogen-bonded Turntrans-75.80.3175.468.9-19.2000113.6V14 Y79 N83 G109V14-N81 HydrophobicContact CG1-CB 4.43Å; Y79-N81 VanDerWaalsContact CB-OD1 3.24Å; Y79-N81 WeakPolarHBondContact CB-OD1 3.47Å; Y79-N81 PolarHBondContact O-N 2.83Å; N81-N83 VanDerWaalsContact C-N 3.32Å; N81-N83 PolarHBondContact ND2-ND2 2.96Å; N81-N83 WeakPolarHBondContact OD1-CB 3.25Å; N81-N83 PolarHBondContact OD1-N 3.37Å; N81-N83 VanDerWaalsContact OD1-N 3.17Å; N81-G109 PolarHBondContact ND2-O 2.93Å
82G96.9Very high97.5Very high62 Ų6252.6 Ų52.664%0.63929%0.287SS*.SBendtrans87.1-5.2-179.200000114.5Y79 L80Y79-G82 PolarHBondContact O-N 3.28Å; L80-G82 PolarHBondContact O-N 3.41Å
83N97.5Very high97.6Very high60 Ų6051.8 Ų51.832%0.32129%0.286SS..  trans-75.1148.9176.1-76.3-0.9000111Y79 N81 G109 D111Y79-N83 WeakPolarHBondContact CD2-O 3.39Å; Y79-N83 PolarHBondContact N-O 3.41Å; N81-N83 VanDerWaalsContact C-N 3.32Å; N81-N83 PolarHBondContact ND2-ND2 2.96Å; N81-N83 WeakPolarHBondContact OD1-CB 3.25Å; N81-N83 PolarHBondContact OD1-N 3.37Å; N81-N83 VanDerWaalsContact OD1-N 3.17Å; N83-G109 VanDerWaalsContact CB-O 3.22Å; N83-G109 WeakPolarHBondContact CB-O 3.2Å; N83-G109 PolarHBondContact ND2-O 3.4Å; N83-D111 PolarHBondContact ND2-OD1 2.87Å
84T98.1Very high97.7Very high91 Ų9153.2 Ų53.256%0.55830%0.296SS*.EExtended strand (participates in β ladder)trans-125.4138.1178.6-58.70000109.6V76 A77 E78V76-T84 HydrophobicContact CG1-CG2 3.37Å; A77-T84 CarbonylContact O-C 3.53Å; A77-T84 VanDerWaalsContact O-CA 3.31Å; A77-T84 WeakPolarHBondContact O-CA 3.39Å; E78-T84 HydrophobicContact CG-CG2 4.37Å
85K97.8Very high97.7Very high51 Ų5157.7 Ų57.722%0.22232%0.318CS..EExtended strand (participates in β ladder)trans-124.6126.5176.5-175172.1170.8-178.20110.4A77 Y79 L104A77-K85 PolarHBondContact N-O 3.37Å; A77-K85 PolarHBondContact O-N 3.3Å; Y79-K85 HydrophobicContact CE2-CB 4Å; K85-L104 HydrophobicContact CD-CD2 3.75Å; K85-L104 HydrophobicContact CG-CD2 4.24Å
86E97.5Very high97.7Very high104 Ų10461.5 Ų61.549%0.48634%0.336SS..EExtended strand (participates in β ladder)trans-100135.4172.3-173.5169.314200109.7K74 V75 V76K74-E86 VanDerWaalsContact CD-CD 3.4Å; K74-E86 HydrophobicContact CD-CG 3.98Å; K74-E86 WeakPolarHBondContact CD-OE1 3.48Å; K74-E86 IonicContact NZ-OE1 2.85Å; K74-E86 PolarHBondContact NZ-OE1 3.01Å; K74-E86 IonicContact NZ-OE2 2.88Å; K74-E86 PolarHBondContact NZ-OE2 2.61Å; V75-E86 WeakPolarHBondContact O-CA 3.35Å; V76-E86 HydrophobicContact CG2-CB 4.4Å; V76-E86 HydrophobicContact CG2-CG 4.17Å
87E97.6Very high97.7Very high37 Ų3760.5 Ų60.517%0.17333%0.33CS..EExtended strand (participates in β ladder)trans-134.5137.5172.8-167.9165.7166.100110.7K74 V75 V100 K103K74-E87 WeakPolarHBondContact CA-O 3.44Å; V75-E87 HydrophobicContact CG1-CB 3.97Å; V75-E87 PolarHBondContact N-O 2.92Å; V75-E87 PolarHBondContact O-N 3.03Å; E87-V100 HydrophobicContact CB-CG1 4.43Å; E87-V100 HydrophobicContact CG-CG1 4.11Å; E87-K103 IonicContact OE1-NZ 2.66Å; E87-K103 PolarHBondContact OE1-NZ 3.18Å; E87-K103 VanDerWaalsContact OE2-CE 3.24Å; E87-K103 WeakPolarHBondContact OE2-CE 3.21Å; E87-K103 IonicContact OE2-NZ 2.82Å; E87-K103 PolarHBondContact OE2-NZ 3Å
88L97.5Very high97.6Very high96 Ų9664 Ų6450%0.50335%0.348SS..EExtended strand (participates in β ladder)trans-79.8137.3179.1-58-177.8000110.5I72 K74 K92I72-L88 HydrophobicContact CG2-CD1 4.4Å; I72-L88 HydrophobicContact CG2-CD2 3.85Å; K74-L88 HydrophobicContact CB-CD2 4.15Å; L88-K92 VanDerWaalsContact O-CE 3.23Å; L88-K92 WeakPolarHBondContact O-CE 3.3Å
89L97.4Very high97.6Very high0 Ų067.9 Ų67.90%037%0.366CS..  trans-110.110.9179-61.2-177.8000113V43 P73 V75 N91 K92 V97 V100V43-L89 HydrophobicContact CG1-CD1 4.48Å; V43-L89 HydrophobicContact CG2-CB 3.68Å; V43-L89 HydrophobicContact CG2-CD1 4.06Å; P73-L89 HydrophobicContact CB-CB 4.35Å; P73-L89 HydrophobicContact CG-CB 4.27Å; P73-L89 PolarHBondContact O-N 3.23Å; V75-L89 HydrophobicContact CB-CD1 3.93Å; V75-L89 HydrophobicContact CB-CG 4.3Å; V75-L89 HydrophobicContact CG1-CD1 4.16Å; V75-L89 HydrophobicContact CG1-CD2 4.02Å; V75-L89 HydrophobicContact CG1-CG 4.07Å; L89-N91 PolarHBondContact O-N 3.29Å; L89-K92 HydrophobicContact CD2-CD 4.08Å; L89-K92 PolarHBondContact O-N 3.32Å; L89-V97 HydrophobicContact CD1-CG1 4.18Å; L89-V100 HydrophobicContact CD2-CB 4.18Å; L89-V100 HydrophobicContact CD2-CG1 3.83Å; L89-V100 HydrophobicContact CD2-CG2 4.41Å
90S96.5Very high97.6Very high41 Ų4167.9 Ų67.929%0.28737%0.367SS..THydrogen-bonded Turntrans-59.3131.4-175.9-163.40000112K92S90-K92 PolarHBondContact O-N 2.85Å
91N96.1Very high97.6Very high128 Ų12863.5 Ų63.568%0.68434%0.344SS*.THydrogen-bonded Turntrans56.227.2176.9-55.3-39.2000114.3S39 L89S39-N91 VanDerWaalsContact CA-OD1 3.31Å; S39-N91 WeakPolarHBondContact CA-OD1 3.36Å; S39-N91 PolarHBondContact O-N 3.38Å; L89-N91 PolarHBondContact O-N 3.29Å
92K97.6Very high97.7Very high61 Ų6163.2 Ų63.227%0.26535%0.345SS..  trans-90.2145.3172.6-66.7-171.6-176-66.60110.7G42 L88 L89 S90 Q96 V97 V100G42-K92 VanDerWaalsContact CA-O 3.3Å; G42-K92 WeakPolarHBondContact CA-O 3.39Å; L88-K92 VanDerWaalsContact O-CE 3.23Å; L88-K92 WeakPolarHBondContact O-CE 3.3Å; L89-K92 HydrophobicContact CD2-CD 4.08Å; L89-K92 PolarHBondContact O-N 3.32Å; S90-K92 PolarHBondContact O-N 2.85Å; K92-Q96 HydrophobicContact CB-CB 4.01Å; K92-Q96 HydrophobicContact CD-CB 4.47Å; K92-Q96 HydrophobicContact CG-CB 4.42Å; K92-V97 HydrophobicContact CB-CG2 3.91Å; K92-V100 HydrophobicContact CD-CG2 4.05Å
93T98.1Very high97.7Very high72 Ų7264.2 Ų64.244%0.44233%0.331SS..  trans-73.9163168.567.40000110.6Q95 Q96 V97T93-Q95 VanDerWaalsContact C-N 3.26Å; T93-Q95 PolarHBondContact O-N 2.9Å; T93-Q96 PolarHBondContact O-N 2.94Å; T93-Q96 VanDerWaalsContact O-N 3.09Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.3Å; T93-Q96 PolarHBondContact OG1-N 2.83Å; T93-V97 WeakPolarHBondContact O-CG2 3.46Å; T93-V97 PolarHBondContact O-N 2.85Å
94S97.7Very high97.8Very high31 Ų3161.3 Ų61.322%0.21732%0.316CS..Hα-helixtrans-53.5-42.7176.61760000112.6G42 F46 Q96 V97 L98G42-S94 WeakPolarHBondContact O-CA 3.3Å; F46-S94 WeakPolarHBondContact CA-OG 3.3Å; S94-Q96 PolarHBondContact O-N 2.83Å; S94-V97 WeakPolarHBondContact O-CB 3.23Å; S94-V97 PolarHBondContact O-N 2.88Å; S94-L98 PolarHBondContact O-N 3.11Å
95Q97.8Very high97.8Very high150 Ų15057.4 Ų57.470%0.70129%0.292SS*.Hα-helixtrans-62.5-43.8176.3-68.2177.7-15.900112.6T93 V97 L98 E99T93-Q95 VanDerWaalsContact C-N 3.26Å; T93-Q95 PolarHBondContact O-N 2.9Å; Q95-V97 VanDerWaalsContact C-N 3.3Å; Q95-V97 PolarHBondContact O-N 3.48Å; Q95-L98 WeakPolarHBondContact O-CB 3.31Å; Q95-L98 PolarHBondContact O-N 2.9Å; Q95-L98 VanDerWaalsContact O-N 3.17Å; Q95-E99 WeakPolarHBondContact O-CG 3.24Å; Q95-E99 PolarHBondContact O-N 3.39Å
96Q98.3Very high97.7Very high80 Ų8060.6 Ų60.637%0.37431%0.311SS..Hα-helixtrans-66.5-32.5176.8-71.2173-19.300112.3K92 T93 S94 E99 V100K92-Q96 HydrophobicContact CB-CB 4.01Å; K92-Q96 HydrophobicContact CD-CB 4.47Å; K92-Q96 HydrophobicContact CG-CB 4.42Å; T93-Q96 PolarHBondContact O-N 2.94Å; T93-Q96 VanDerWaalsContact O-N 3.09Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.3Å; T93-Q96 PolarHBondContact OG1-N 2.83Å; S94-Q96 PolarHBondContact O-N 2.83Å; Q96-E99 PolarHBondContact O-N 2.82Å; Q96-V100 VanDerWaalsContact O-CG2 3.3Å; Q96-V100 WeakPolarHBondContact O-CG2 3.38Å; Q96-V100 PolarHBondContact O-N 2.66Å
97V98.3Very high97.7Very high0 Ų058 Ų580%030%0.299CS..Hα-helixtrans-64.1-44.4172.1174.60000110V43 F46 L89 K92 T93 S94 Q95 E99 V100 L101V43-V97 HydrophobicContact CG2-CG2 3.95Å; F46-V97 HydrophobicContact CB-CB 4.29Å; F46-V97 HydrophobicContact CB-CG1 4.13Å; F46-V97 HydrophobicContact CD1-CG1 3.74Å; F46-V97 HydrophobicContact CD2-CG1 4.36Å; F46-V97 HydrophobicContact CE1-CG1 4.3Å; F46-V97 HydrophobicContact CG-CB 4.24Å; F46-V97 HydrophobicContact CG-CG1 3.78Å; L89-V97 HydrophobicContact CD1-CG1 4.18Å; K92-V97 HydrophobicContact CB-CG2 3.91Å; T93-V97 WeakPolarHBondContact O-CG2 3.46Å; T93-V97 PolarHBondContact O-N 2.85Å; S94-V97 WeakPolarHBondContact O-CB 3.23Å; S94-V97 PolarHBondContact O-N 2.88Å; Q95-V97 VanDerWaalsContact C-N 3.3Å; Q95-V97 PolarHBondContact O-N 3.48Å; V97-E99 PolarHBondContact O-N 2.96Å; V97-V100 PolarHBondContact O-N 3.42Å; V97-L101 HydrophobicContact CG1-CD1 4.19Å; V97-L101 WeakPolarHBondContact O-CG 2.96Å; V97-L101 PolarHBondContact O-N 3.44Å
98L98.1Very high97.7Very high74 Ų7458.4 Ų58.439%0.38731%0.306SS..Hα-helixtrans-61.7-40.9175.3177.860.3000112.3F46 F54 S94 Q95 V100 L101 T102F46-L98 HydrophobicContact CD2-CB 4.28Å; F46-L98 HydrophobicContact CE2-CB 3.88Å; F46-L98 HydrophobicContact CE2-CD1 4.04Å; F46-L98 HydrophobicContact CE2-CG 4.47Å; F46-L98 HydrophobicContact CZ-CD1 4.47Å; F54-L98 HydrophobicContact CD2-CD1 4.13Å; S94-L98 PolarHBondContact O-N 3.11Å; Q95-L98 WeakPolarHBondContact O-CB 3.31Å; Q95-L98 PolarHBondContact O-N 2.9Å; Q95-L98 VanDerWaalsContact O-N 3.17Å; L98-V100 VanDerWaalsContact C-N 3.34Å; L98-V100 PolarHBondContact O-N 2.93Å; L98-L101 PolarHBondContact O-N 3.09Å; L98-T102 WeakPolarHBondContact O-CB 3.32Å; L98-T102 PolarHBondContact O-N 3.2Å; L98-T102 PolarHBondContact O-OG1 3.06Å
99E98.3Very high97.7Very high128 Ų12854.2 Ų54.260%0.59829%0.286SS*.Hα-helixtrans-60.5-43.5174.3-72.9173.2-175.800111.8Q95 Q96 V97 T102 K103Q95-E99 WeakPolarHBondContact O-CG 3.24Å; Q95-E99 PolarHBondContact O-N 3.39Å; Q96-E99 PolarHBondContact O-N 2.82Å; V97-E99 PolarHBondContact O-N 2.96Å; E99-T102 PolarHBondContact O-N 2.99Å; E99-K103 VanDerWaalsContact O-CB 3.3Å; E99-K103 WeakPolarHBondContact O-CB 3.37Å; E99-K103 PolarHBondContact O-N 3.03Å
100V98.4Very high97.7Very high9 Ų956 Ų566%0.05529%0.294CS..Hα-helixtrans-61.6-46.3176.1169.60000110.9V75 E87 L89 K92 Q96 V97 L98 K103 L104V75-V100 HydrophobicContact CG1-CG1 4.28Å; E87-V100 HydrophobicContact CB-CG1 4.43Å; E87-V100 HydrophobicContact CG-CG1 4.11Å; L89-V100 HydrophobicContact CD2-CB 4.18Å; L89-V100 HydrophobicContact CD2-CG1 3.83Å; L89-V100 HydrophobicContact CD2-CG2 4.41Å; K92-V100 HydrophobicContact CD-CG2 4.05Å; Q96-V100 VanDerWaalsContact O-CG2 3.3Å; Q96-V100 WeakPolarHBondContact O-CG2 3.38Å; Q96-V100 PolarHBondContact O-N 2.66Å; V97-V100 PolarHBondContact O-N 3.42Å; L98-V100 VanDerWaalsContact C-N 3.34Å; L98-V100 PolarHBondContact O-N 2.93Å; V100-K103 PolarHBondContact O-N 2.79Å; V100-L104 HydrophobicContact CG1-CD1 4.02Å; V100-L104 VanDerWaalsContact O-CG 3.3Å; V100-L104 WeakPolarHBondContact O-CG 3.41Å; V100-L104 PolarHBondContact O-N 3.3Å
101L98Very high97.7Very high1 Ų158.4 Ų58.41%0.00530%0.304CS..Hα-helixtrans-64.7-40.3178.4-71.9174.1000112.5V29 I31 F46 F54 V75 V97 L98 L104 T105V29-L101 HydrophobicContact CG1-CD2 3.66Å; I31-L101 HydrophobicContact CD1-CD1 4.39Å; F46-L101 HydrophobicContact CD1-CD1 4.2Å; F46-L101 HydrophobicContact CE1-CD1 3.28Å; F46-L101 HydrophobicContact CE2-CD1 4.32Å; F46-L101 HydrophobicContact CZ-CD1 3.36Å; F54-L101 HydrophobicContact CD2-CB 4.29Å; F54-L101 HydrophobicContact CE2-CB 3.81Å; F54-L101 HydrophobicContact CZ-CB 4.14Å; V75-L101 HydrophobicContact CG2-CD2 3.97Å; V97-L101 HydrophobicContact CG1-CD1 4.19Å; V97-L101 WeakPolarHBondContact O-CG 2.96Å; V97-L101 PolarHBondContact O-N 3.44Å; L98-L101 PolarHBondContact O-N 3.09Å; L101-L104 PolarHBondContact O-N 3.28Å; L101-T105 WeakPolarHBondContact O-CB 3.35Å; L101-T105 PolarHBondContact O-N 3.3Å; L101-T105 PolarHBondContact O-OG1 3.49Å
102T97.9Very high97.6Very high52 Ų5258.4 Ų58.432%0.31930%0.303SS..Hα-helixtrans-61.9-48.4175.7-560000109.9L98 E99 L104 T105 D106L98-T102 WeakPolarHBondContact O-CB 3.32Å; L98-T102 PolarHBondContact O-N 3.2Å; L98-T102 PolarHBondContact O-OG1 3.06Å; E99-T102 PolarHBondContact O-N 2.99Å; T102-L104 VanDerWaalsContact C-N 3.31Å; T102-L104 PolarHBondContact O-N 3.14Å; T102-T105 WeakPolarHBondContact O-CA 3.23Å; T102-T105 WeakPolarHBondContact O-CB 3.22Å; T102-T105 PolarHBondContact O-N 3.39Å; T102-D106 PolarHBondContact O-N 3.18Å
103K98.2Very high97.6Very high82 Ų8258 Ų5836%0.35730%0.303SS..Hα-helixtrans-57.6-40175179.3-168.270-174.40112.8E87 E99 V100 T105 Q107E87-K103 IonicContact OE1-NZ 2.66Å; E87-K103 PolarHBondContact OE1-NZ 3.18Å; E87-K103 VanDerWaalsContact OE2-CE 3.24Å; E87-K103 WeakPolarHBondContact OE2-CE 3.21Å; E87-K103 IonicContact OE2-NZ 2.82Å; E87-K103 PolarHBondContact OE2-NZ 3Å; E99-K103 VanDerWaalsContact O-CB 3.3Å; E99-K103 WeakPolarHBondContact O-CB 3.37Å; E99-K103 PolarHBondContact O-N 3.03Å; V100-K103 PolarHBondContact O-N 2.79Å; K103-T105 VanDerWaalsContact C-N 3.34Å; K103-Q107 WeakPolarHBondContact O-CG 3.33Å; K103-Q107 PolarHBondContact O-N 2.75Å
104L98.2Very high97.5Very high0 Ų059.1 Ų59.10%030%0.299CS..Hα-helixtrans-69.2-34.1176.2-69.7168.9000111.7V75 A77 Y79 K85 V100 L101 T102 Q107V75-L104 HydrophobicContact CG1-CD1 3.78Å; V75-L104 HydrophobicContact CG2-CD1 4.37Å; A77-L104 HydrophobicContact CB-CB 4.35Å; A77-L104 HydrophobicContact CB-CD1 4.17Å; A77-L104 HydrophobicContact CB-CD2 4.1Å; A77-L104 HydrophobicContact CB-CG 4.44Å; Y79-L104 WeakPolarHBondContact CE1-O 3.24Å; Y79-L104 PolarHBondContact OH-O 3.17Å; Y79-L104 VanDerWaalsContact OH-O 3.11Å; K85-L104 HydrophobicContact CD-CD2 3.75Å; K85-L104 HydrophobicContact CG-CD2 4.24Å; V100-L104 HydrophobicContact CG1-CD1 4.02Å; V100-L104 VanDerWaalsContact O-CG 3.3Å; V100-L104 WeakPolarHBondContact O-CG 3.41Å; V100-L104 PolarHBondContact O-N 3.3Å; L101-L104 PolarHBondContact O-N 3.28Å; T102-L104 VanDerWaalsContact C-N 3.31Å; T102-L104 PolarHBondContact O-N 3.14Å; L104-Q107 PolarHBondContact O-N 3.46Å
105T97.8Very high97.5Very high8 Ų861.2 Ų61.25%0.04931%0.307CS..Hα-helixtrans-67.8-39.3177-54.20000111.9L26 N58 L101 T102 K103 Q107L26-T105 HydrophobicContact CD2-CG2 4.33Å; L26-T105 WeakPolarHBondContact CD2-OG1 3.45Å; N58-T105 WeakPolarHBondContact OD1-CG2 3.42Å; L101-T105 WeakPolarHBondContact O-CB 3.35Å; L101-T105 PolarHBondContact O-N 3.3Å; L101-T105 PolarHBondContact O-OG1 3.49Å; T102-T105 WeakPolarHBondContact O-CA 3.23Å; T102-T105 WeakPolarHBondContact O-CB 3.22Å; T102-T105 PolarHBondContact O-N 3.39Å; K103-T105 VanDerWaalsContact C-N 3.34Å; T105-Q107 VanDerWaalsContact C-N 3.25Å; T105-Q107 PolarHBondContact O-N 3.34Å
106D97.4Very high97.5Very high119 Ų11960.5 Ų60.564%0.63630%0.298SS*.SBendtrans-77.4-10.8-179.3-62.8-26.7000113.2T102T102-D106 PolarHBondContact O-N 3.18Å
107Q97.7Very high97.4Very high49 Ų4961.3 Ų61.323%0.22930%0.3CS..  trans-82.1152.9179.5-81.3169.41200112.7Y79 K103 L104 T105Y79-Q107 HydrophobicContact CE1-CB 4.04Å; Y79-Q107 WeakPolarHBondContact CE1-O 3.39Å; K103-Q107 WeakPolarHBondContact O-CG 3.33Å; K103-Q107 PolarHBondContact O-N 2.75Å; L104-Q107 PolarHBondContact O-N 3.46Å; T105-Q107 VanDerWaalsContact C-N 3.25Å; T105-Q107 PolarHBondContact O-N 3.34Å
108S97.3Very high97.4Very high45 Ų4566.7 Ų66.732%0.31534%0.335SS..  trans-92.4-3.7-17862.10000114.7Q110S108-Q110 PolarHBondContact O-N 3.02Å
109G96.8Very high97.4Very high8 Ų870.2 Ų70.28%0.08234%0.344CS..SBendtrans76.80.5-171.800000114.8N81 N83N81-G109 PolarHBondContact ND2-O 2.93Å; N83-G109 VanDerWaalsContact CB-O 3.22Å; N83-G109 WeakPolarHBondContact CB-O 3.2Å; N83-G109 PolarHBondContact ND2-O 3.4Å
110Q97.1Very high97.3Very high38 Ų3868.8 Ų68.818%0.17834%0.337CS..  trans-73.3151.1173-67.2-177.58.500111.9K12 V14 S108 I112K12-Q110 PolarHBondContact O-NE2 3.11Å; K12-Q110 PolarHBondContact O-OE1 3.41Å; V14-Q110 HydrophobicContact CG2-CG 4.23Å; S108-Q110 PolarHBondContact O-N 3.02Å; Q110-I112 PolarHBondContact O-N 3.35Å
111D96Very high97.3Very high92 Ų9272.1 Ų72.149%0.49236%0.358SS..  trans-57.2131.7179.3-56.7-22.4000111.7R9 N83 I113R9-D111 PolarHBondContact NE-O 3.45Å; R9-D111 PolarHBondContact NH2-O 3.05Å; N83-D111 PolarHBondContact ND2-OD1 2.87Å; D111-I113 HydrophobicContact CB-CD1 4.21Å; D111-I113 HydrophobicContact CB-CG1 4.11Å; D111-I113 HydrophobicContact CB-CG2 4.16Å; D111-I113 PolarHBondContact O-N 3.15Å
112I95.5Very high97.2Very high128 Ų12877.8 Ų77.866%0.65639%0.388SS*.  trans-83.975.4176-54.4179.5000107.8Q110Q110-I112 PolarHBondContact O-N 3.35Å
113I96.2Very high97.2Very high53 Ų5379.6 Ų79.627%0.27240%0.403SS..SBendtrans-127.3172.1178.262.2175.9000109.3P7 R9 D111 I115P7-I113 HydrophobicContact CB-CD1 4.26Å; P7-I113 HydrophobicContact CG-CD1 4.49Å; P7-I113 HydrophobicContact CG-CG2 4.18Å; R9-I113 HydrophobicContact CB-CD1 4.06Å; R9-I113 HydrophobicContact CB-CG1 4.46Å; R9-I113 HydrophobicContact CG-CD1 4.01Å; R9-I113 HydrophobicContact CG-CG1 3.87Å; D111-I113 HydrophobicContact CB-CD1 4.21Å; D111-I113 HydrophobicContact CB-CG1 4.11Å; D111-I113 HydrophobicContact CB-CG2 4.16Å; D111-I113 PolarHBondContact O-N 3.15Å; I113-I115 PolarHBondContact O-N 2.86Å
114R97Very high97.2Very high94 Ų9480.9 Ų80.936%0.35542%0.42SS..EExtended strand (participates in β ladder)trans-59.6123.9-177-176.1178.760.684.3-7.9111.5S3 S8 R9S3-R114 WeakPolarHBondContact OG-CD 3.27Å; S3-R114 PolarHBondContact OG-NE 3.14Å; S3-R114 PolarHBondContact OG-NH2 2.89Å; S8-R114 VanDerWaalsContact CA-O 3.27Å; S8-R114 WeakPolarHBondContact CA-O 3.43Å; S8-R114 VanDerWaalsContact CB-O 3.24Å; S8-R114 WeakPolarHBondContact CB-O 3.24Å; S8-R114 PolarHBondContact OG-NH2 3.18Å; R9-R114 PolarHBondContact N-O 2.82Å
115I97.6Very high97.1Very high75 Ų7583.5 Ų83.539%0.38544%0.438SS..EExtended strand (participates in β ladder)trans-82.9125.9171.7-63.7171.4000108.6R9 L11 I113 K117R9-I115 WeakPolarHBondContact O-CA 3.38Å; L11-I115 HydrophobicContact CB-CG2 4.08Å; L11-I115 HydrophobicContact CD1-CD1 4.33Å; I113-I115 PolarHBondContact O-N 2.86Å; I115-K117 WeakPolarHBondContact CG2-O 3.39Å
116R97Very high97.1Very high135 Ų13591.2 Ų91.251%0.50948%0.477SS..SBendtrans-75-40.3-175.7-68-174.4178-160.63.5113.7S8 R9 F10S8-R116 PolarHBondContact OG-NE 3.23Å; S8-R116 PolarHBondContact OG-NH2 3.35Å; S8-R116 VanDerWaalsContact OG-NH2 3.08Å; R9-R116 PolarHBondContact O-N 3.1Å; F10-R116 HydrophobicContact CD1-CB 3.9Å; F10-R116 HydrophobicContact CE1-CB 3.78Å; F10-R116 HydrophobicContact CE1-CG 4.5Å; F10-R116 HydrophobicContact CZ-CB 4.37Å
117K97.8Very high97.2Very high97 Ų9794.9 Ų94.942%0.42249%0.491SS..  trans-132.1129.3-179.9-64.1-174.9177.4-173.50108.2F10 I115 Y119F10-K117 HydrophobicContact CD1-CB 4.4Å; F10-K117 HydrophobicContact CD1-CD 4.28Å; F10-K117 HydrophobicContact CD1-CG 4.17Å; F10-K117 HydrophobicContact CE1-CD 4Å; F10-K117 HydrophobicContact CE1-CG 4.01Å; I115-K117 WeakPolarHBondContact CG2-O 3.39Å; K117-Y119 HydrophobicContact CD-CE2 4.11Å; K117-Y119 PolarHBondContact O-N 2.97Å; K117-Y119 VanDerWaalsContact O-N 3.14Å
118P97.4Very high97.1Very high114 Ų11495.1 Ų95.174%0.7451%0.506SS*.SBendtrans-77.210.5-179.833.7-36000113
119Y97.2Very high97.2Very high148 Ų148100.6 Ų100.658%0.5853%0.527SS*.  trans-139.4157177.758.4-97.5000109.8K117K117-Y119 HydrophobicContact CD-CE2 4.11Å; K117-Y119 PolarHBondContact O-N 2.97Å; K117-Y119 VanDerWaalsContact O-N 3.14Å
120H97.7Very high97.2Very high97 Ų97108.3 Ų108.345%0.44955%0.554SS.*  trans-149138174.3173.363.4000108.9L11 D122L11-H120 HydrophobicContact CB-CB 4.4Å; L11-H120 WeakPolarHBondContact O-CB 3.13Å; H120-D122 IonicContact CE1-OD1 3.45Å; H120-D122 PolarHBondContact CE1-OD1 2.86Å; H120-D122 IonicContact NE2-OD1 3.41Å; H120-D122 PolarHBondContact NE2-OD1 3.18Å
121T97.4Very high97.2Very high80 Ų80111 Ų11149%0.49157%0.566SS.*  trans-146137.8172.81790000108.4S123 P124T121-S123 VanDerWaalsContact C-N 3.3Å; T121-S123 PolarHBondContact OG1-N 3.44Å; T121-S123 VanDerWaalsContact OG1-N 3.11Å; T121-S123 PolarHBondContact OG1-O 3.08Å; T121-P124 HydrophobicContact CG2-CB 4.09Å
122D96.8Very high97.2Very high120 Ų120111.2 Ų111.264%0.64257%0.572SS**SBendtrans-82.5-13.1171.5-67.4-34.9000111.5H120H120-D122 IonicContact CE1-OD1 3.45Å; H120-D122 PolarHBondContact CE1-OD1 2.86Å; H120-D122 IonicContact NE2-OD1 3.41Å; H120-D122 PolarHBondContact NE2-OD1 3.18Å
123S97.2Very high97.1Very high90 Ų90111.2 Ų111.263%0.62957%0.568SS**  trans-126.381.9179.5-56.80000110.4T121T121-S123 VanDerWaalsContact C-N 3.3Å; T121-S123 PolarHBondContact OG1-N 3.44Å; T121-S123 VanDerWaalsContact OG1-N 3.11Å; T121-S123 PolarHBondContact OG1-O 3.08Å
124P97.3Very high97Very high109 Ų109111.6 Ų111.671%0.70857%0.573SS**  trans-76.9-17.9-174.529.7-35.9000114.9T121T121-P124 HydrophobicContact CG2-CB 4.09Å
125S97.9Very high96.9Very high55 Ų55114.7 Ų114.739%0.38559%0.591SS.*  trans-135.1147.4174.6-176.60000110.8G128S125-G128 PolarHBondContact OG-N 2.78Å; S125-G128 PolarHBondContact OG-O 3.2Å
126I97.9Very high96.5Very high169 Ų169117.6 Ų117.687%0.86760%0.597SS**SBendtrans-107.1-39.2-179.9-60.5172.3000111.1
127Q97.8Very high96Very high196 Ų196116 Ų11692%0.91661%0.605SS**SBendtrans-999.8-174.4-66.1177.8-2100113.5
128G96.6Very high95.3Very high54 Ų54117.3 Ų117.356%0.55762%0.622SS**  trans103.8140.8-171.600000111.5S125S125-G128 PolarHBondContact OG-N 2.78Å; S125-G128 PolarHBondContact OG-O 3.2Å
129Q98Very high94.4Very high160 Ų160114.7 Ų114.775%0.74861%0.607SS**  trans-72.9139.7174.9-174.7172.1-5.600109.1H131Q129-H131 PolarHBondContact O-N 3.19Å
130W97.6Very high93.1Very high171 Ų171115.4 Ų115.465%0.64863%0.627SS**  trans-55133.9173179.892.7000110.4P132W130-P132 HydrophobicContact CH2-CB 4.39Å; W130-P132 HydrophobicContact CH2-CG 4.06Å; W130-P132 HydrophobicContact CZ3-CG 4.21Å
131H96.9Very high91.8Very high94 Ų94113.2 Ų113.244%0.43563%0.63SS.*  trans-133.1161.3168.660.688.4000109Q129 F133 T134Q129-H131 PolarHBondContact O-N 3.19Å; H131-F133 PolarHBondContact ND1-N 2.94Å; H131-F133 PolarHBondContact O-N 3.35Å; H131-T134 PolarHBondContact CD2-OG1 3.08Å; H131-T134 PolarHBondContact CE1-N 3.34Å; H131-T134 VanDerWaalsContact CE1-N 3.34Å; H131-T134 PolarHBondContact N-OG1 3.08Å; H131-T134 PolarHBondContact ND1-N 2.97Å; H131-T134 PolarHBondContact NE2-OG1 3.34Å; H131-T134 WeakPolarHBondContact O-CB 3.44Å; H131-T134 PolarHBondContact O-N 3.45Å; H131-T134 PolarHBondContact O-OG1 3.18Å
132P96.4Very high90.2Very high97 Ų97116.1 Ų116.163%0.6364%0.642SS**THydrogen-bonded Turntrans-56.9-16.3-174.7-29.536.9000116.2W130W130-P132 HydrophobicContact CH2-CB 4.39Å; W130-P132 HydrophobicContact CH2-CG 4.06Å; W130-P132 HydrophobicContact CZ3-CG 4.21Å
133F93.5Very high88.8Confident128 Ų128116.8 Ų116.856%0.56164%0.644SS**THydrogen-bonded Turntrans-103-0.9179.7-54.6-61000114.2H131 H135 R136H131-F133 PolarHBondContact ND1-N 2.94Å; H131-F133 PolarHBondContact O-N 3.35Å; F133-H135 PolarHBondContact O-N 2.96Å; F133-R136 HydrophobicContact CB-CB 4.42Å; F133-R136 HydrophobicContact CD1-CB 4.3Å; F133-R136 PolarHBondContact O-N 2.86Å; F133-R136 VanDerWaalsContact O-N 3.08Å
134T94.2Very high87.1Confident61 Ų61121.2 Ų121.237%0.37465%0.647SS.*THydrogen-bonded Turntrans-57.3-35.1-176.9-56.30000112.5H131H131-T134 PolarHBondContact CD2-OG1 3.08Å; H131-T134 PolarHBondContact CE1-N 3.34Å; H131-T134 VanDerWaalsContact CE1-N 3.34Å; H131-T134 PolarHBondContact N-OG1 3.08Å; H131-T134 PolarHBondContact ND1-N 2.97Å; H131-T134 PolarHBondContact NE2-OG1 3.34Å; H131-T134 WeakPolarHBondContact O-CB 3.44Å; H131-T134 PolarHBondContact O-N 3.45Å; H131-T134 PolarHBondContact O-OG1 3.18Å
135H94.4Very high85.6Confident158 Ų158121.4 Ų121.473%0.73165%0.648SS**THydrogen-bonded Turntrans-113.719.3178.3-55.7-60.5000112.7F133F133-H135 PolarHBondContact O-N 2.96Å
136R88.8Confident83.9Confident136 Ų136127.3 Ų127.351%0.51367%0.67SS.*PPolyproline II helixtrans-93.6122.3175.3-171.7-179.2-179.9172.81.1108.8F133F133-R136 HydrophobicContact CB-CB 4.42Å; F133-R136 HydrophobicContact CD1-CB 4.3Å; F133-R136 PolarHBondContact O-N 2.86Å; F133-R136 VanDerWaalsContact O-N 3.08Å
137P86.8Confident82Confident103 Ų103126.2 Ų126.267%0.66967%0.666SS**PPolyproline II helixtrans-61.9140.9172.726.7-33.1000109.4S139P137-S139 PolarHBondContact O-N 3.4Å
138P82.9Confident80.1Confident123 Ų123124.9 Ų124.980%0.79966%0.659SS**PPolyproline II helixtrans-59.6135.5176.124.8-31.8000109.6V140P138-V140 PolarHBondContact O-N 3.34Å
139S78Confident78Confident59 Ų59133.5 Ų133.541%0.41368%0.675SS.*PPolyproline II helixtrans-73.8127.7172.850.80000109.1P137 G141P137-S139 PolarHBondContact O-N 3.4Å; S139-G141 PolarHBondContact O-N 2.89Å; S139-G141 PolarHBondContact OG-O 3.49Å
140V71.9Confident75.8Confident164 Ų164132.5 Ų132.599%0.99468%0.679SS**SBendtrans-74.972.4169.1-172.10000108.1P138P138-V140 PolarHBondContact O-N 3.34Å
141G68.7Low73.2Confident51 Ų51136.4 Ų136.453%0.52671%0.705SS.*SBendtrans148.6176.4-178.800000114.9S139 I143S139-G141 PolarHBondContact O-N 2.89Å; S139-G141 PolarHBondContact OG-O 3.49Å; G141-I143 PolarHBondContact O-N 2.95Å
142L64.6Low72Confident140 Ų140138.6 Ų138.673%0.73372%0.718SS**  trans-58.6124.9176.3-84.7148.5000110.8R144L142-R144 HydrophobicContact CB-CG 4.26Å; L142-R144 PolarHBondContact O-N 3.32Å
143I66.4Low70.7Confident134 Ų134140.7 Ų140.769%0.68772%0.723SS**  trans-64.8101.7173.3-56.8170.8000107.6G141G141-I143 PolarHBondContact O-N 2.95Å
144R62.4Low69.5Low183 Ų183141.4 Ų141.469%0.69173%0.732SS**  trans-129.3143.9174.8-65.2-176.8-179.9-173.6-0.8109.2L142 Q146L142-R144 HydrophobicContact CB-CG 4.26Å; L142-R144 PolarHBondContact O-N 3.32Å; R144-Q146 PolarHBondContact O-N 3.31Å
145P65.6Low68Low114 Ų114146.2 Ų146.274%0.7475%0.753SS**  trans-56.1130.2163.3-1224.9000107.7N147P145-N147 PolarHBondContact O-N 3.08Å; P145-N147 VanDerWaalsContact O-N 3.08Å
146Q61.8Low66.4Low178 Ų178145.4 Ų145.483%0.83276%0.755SS**  trans-68.2109.3166.3-69.1-163.1-3.100106.4R144 H148R144-Q146 PolarHBondContact O-N 3.31Å; Q146-H148 VanDerWaalsContact C-N 3.34Å; Q146-H148 PolarHBondContact O-N 2.92Å
147N58.3Low64.9Low147 Ų147146.1 Ų146.179%0.78677%0.771SS**  trans-61.9102.6167.3-74.4-10.9000106.5P145 R149P145-N147 PolarHBondContact O-N 3.08Å; P145-N147 VanDerWaalsContact O-N 3.08Å; N147-R149 VanDerWaalsContact C-N 3.3Å; N147-R149 PolarHBondContact O-N 3.11Å
148H57.9Low63.3Low168 Ų168149.1 Ų149.178%0.77878%0.778SS**  trans-62.1101.5161.4-90.8-47.4000106.4Q146 V150Q146-H148 VanDerWaalsContact C-N 3.34Å; Q146-H148 PolarHBondContact O-N 2.92Å; H148-V150 PolarHBondContact O-N 2.92Å; H148-V150 VanDerWaalsContact O-N 3.11Å
149R52Low61.8Low234 Ų234151.2 Ų151.288%0.88378%0.776SS**  trans-62.1109.4160.7-84.2-177.7174.1179-2.7106.1N147 E151N147-R149 VanDerWaalsContact C-N 3.3Å; N147-R149 PolarHBondContact O-N 3.11Å; R149-E151 PolarHBondContact O-N 3.49Å
150V51.8Low60.5Low139 Ų139158.8 Ų158.884%0.84281%0.807SS**  trans-77.1110.9160.4-175.90000104.7H148H148-V150 PolarHBondContact O-N 2.92Å; H148-V150 VanDerWaalsContact O-N 3.11Å
151E44Very low59.4Low254 Ų254158.4 Ų158.4100%1.18779%0.79SS**  trans-75.10161.9-77.2-176.8166.900110R149R149-E151 PolarHBondContact O-N 3.49Å

Retrieved 151 of 151 residues in 47.2 ms (Link to these results)