A0A087Y152_POEFO Loading...

U2 small nuclear RNA auxiliary factor 1

AlphaFold DB , UniProt , Accession A0A087Y152, Species POEFO (Poecilia formosa, Amazon molly), Gene U2AF1, Length 228 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
1M51.1Low58.2Low204 Ų20495.5 Ų95.5100%1.00551%0.514SS*.  0-470-143.6164.8-14700111.9Y4 L5M1-Y4 PolarHBondContact O-N 3.42Å; M1-L5 PolarHBondContact O-N 3.41Å
2A54.5Low58.9Low82 Ų8299.8 Ų99.868%0.67853%0.528SS*.Hα-helixtrans-61.4-41.7174.800000114.1Y4 L5 A6A2-Y4 VanDerWaalsContact C-N 3.34Å; A2-Y4 PolarHBondContact O-N 3.05Å; A2-L5 PolarHBondContact O-N 3.2Å; A2-A6 WeakPolarHBondContact O-CB 3.49Å; A2-A6 PolarHBondContact O-N 3.03Å
3E55.7Low59.6Low173 Ų173104.1 Ų104.181%0.80854%0.539SS*.Hα-helixtrans-64.7-34.8177.6-68.3-179150.600113.4S7E3-S7 WeakPolarHBondContact O-CB 3.28Å; E3-S7 PolarHBondContact O-N 3.34Å
4Y56.7Low60.8Low166 Ų16697.6 Ų97.665%0.65151%0.506SS*.Hα-helixtrans-69.4-41.5176.9-174.8-105.9000111.2M1 A2 S7 I8M1-Y4 PolarHBondContact O-N 3.42Å; A2-Y4 VanDerWaalsContact C-N 3.34Å; A2-Y4 PolarHBondContact O-N 3.05Å; Y4-S7 PolarHBondContact O-N 3.2Å; Y4-S7 PolarHBondContact O-OG 3.44Å; Y4-I8 HydrophobicContact CD1-CD1 3.75Å; Y4-I8 HydrophobicContact CE1-CD1 3.42Å; Y4-I8 VanDerWaalsContact CE1-CD1 3.42Å; Y4-I8 HydrophobicContact CE2-CD1 4.47Å; Y4-I8 HydrophobicContact CG-CD1 4.42Å; Y4-I8 WeakPolarHBondContact O-CD1 3.38Å; Y4-I8 WeakPolarHBondContact O-CG1 3.31Å; Y4-I8 PolarHBondContact O-N 3.35Å
5L55.7Low62Low108 Ų108103.5 Ų103.557%0.56553%0.526SS*.Hα-helixtrans-68-38.5175.8-67171.1000112.1M1 A2 S7 I8 F9M1-L5 PolarHBondContact O-N 3.41Å; A2-L5 PolarHBondContact O-N 3.2Å; L5-S7 VanDerWaalsContact C-N 3.27Å; L5-S7 PolarHBondContact O-N 2.95Å; L5-I8 PolarHBondContact O-N 3.08Å; L5-I8 VanDerWaalsContact O-N 3.13Å; L5-F9 PolarHBondContact O-N 2.7Å
6A58.7Low63.4Low73 Ų73102.6 Ų102.660%0.60353%0.527SS*.Hα-helixtrans-64.1-31172.800000112.6A2 I8A2-A6 WeakPolarHBondContact O-CB 3.49Å; A2-A6 PolarHBondContact O-N 3.03Å; A6-I8 PolarHBondContact O-N 3.3Å
7S59.8Low64.9Low56 Ų5697.9 Ų97.939%0.39250%0.503SS..THydrogen-bonded Turntrans-75.1-10.7175.177.70000114.5E3 Y4 L5 T11E3-S7 WeakPolarHBondContact O-CB 3.28Å; E3-S7 PolarHBondContact O-N 3.34Å; Y4-S7 PolarHBondContact O-N 3.2Å; Y4-S7 PolarHBondContact O-OG 3.44Å; L5-S7 VanDerWaalsContact C-N 3.27Å; L5-S7 PolarHBondContact O-N 2.95Å; S7-T11 PolarHBondContact O-OG1 3.23Å
8I61.4Low66.3Low36 Ų3692.7 Ų92.719%0.18548%0.477CS..THydrogen-bonded Turntrans-102.8-47.4-179-66.7167.3000109.8Y4 L5 A6 G10 T11 K13 D14Y4-I8 HydrophobicContact CD1-CD1 3.75Å; Y4-I8 HydrophobicContact CE1-CD1 3.42Å; Y4-I8 VanDerWaalsContact CE1-CD1 3.42Å; Y4-I8 HydrophobicContact CE2-CD1 4.47Å; Y4-I8 HydrophobicContact CG-CD1 4.42Å; Y4-I8 WeakPolarHBondContact O-CD1 3.38Å; Y4-I8 WeakPolarHBondContact O-CG1 3.31Å; Y4-I8 PolarHBondContact O-N 3.35Å; L5-I8 PolarHBondContact O-N 3.08Å; L5-I8 VanDerWaalsContact O-N 3.13Å; A6-I8 PolarHBondContact O-N 3.3Å; I8-G10 PolarHBondContact O-N 3.37Å; I8-T11 WeakPolarHBondContact O-CB 3.46Å; I8-T11 PolarHBondContact O-N 2.85Å; I8-T11 PolarHBondContact O-OG1 2.78Å; I8-K13 HydrophobicContact CG2-CB 4.48Å; I8-D14 HydrophobicContact CG2-CB 4.08Å; I8-D14 WeakPolarHBondContact O-CB 3.39Å
9F60.7Low67.6Low109 Ų10988.2 Ų88.248%0.47845%0.454SS..THydrogen-bonded Turntrans-59.1127.5-174.2-163.4-99.1000112.1L5 T11 N17 F22L5-F9 PolarHBondContact O-N 2.7Å; F9-T11 PolarHBondContact O-N 3.45Å; F9-N17 WeakPolarHBondContact CE2-ND2 3.35Å; F9-F22 HydrophobicContact CD1-CE2 4.36Å; F9-F22 HydrophobicContact CD1-CZ 4.18Å; F9-F22 HydrophobicContact CE1-CD2 4.4Å; F9-F22 AromaticContact CE1-CE2 3.67Å; F9-F22 HydrophobicContact CE1-CE2 3.67Å; F9-F22 AromaticContact CE1-CZ 3.91Å; F9-F22 HydrophobicContact CE1-CZ 3.91Å; F9-F22 HydrophobicContact CZ-CE2 4.47Å
10G59.8Low68.7Low4 Ų486.8 Ų86.84%0.04145%0.445CS..THydrogen-bonded Turntrans755.2-178.400000115.3I8 K23I8-G10 PolarHBondContact O-N 3.37Å; G10-K23 WeakPolarHBondContact O-CE 3.37Å
11T66.1Low69.8Low40 Ų4083.2 Ų83.225%0.24543%0.426CS..SBendtrans-107.1167.9174.975.60000111.4S7 I8 F9 K13 D14S7-T11 PolarHBondContact O-OG1 3.23Å; I8-T11 WeakPolarHBondContact O-CB 3.46Å; I8-T11 PolarHBondContact O-N 2.85Å; I8-T11 PolarHBondContact O-OG1 2.78Å; F9-T11 PolarHBondContact O-N 3.45Å; T11-K13 PolarHBondContact O-N 3.09Å; T11-K13 VanDerWaalsContact O-N 3.07Å; T11-K13 WeakPolarHBondContact OG1-CB 3.43Å; T11-K13 PolarHBondContact OG1-N 3.31Å; T11-D14 WeakPolarHBondContact O-CB 3.14Å; T11-D14 PolarHBondContact O-N 3.32Å
12E66.5Low71.7Confident146 Ų14677.3 Ų77.368%0.68240%0.395SS*.THydrogen-bonded Turntrans-62.4-14.9175.8-60.9-175.9163.800113.8D14E12-D14 VanDerWaalsContact C-N 3.29Å
13K68.2Low73.4Confident156 Ų15676.5 Ų76.568%0.67838%0.376SS*.THydrogen-bonded Turntrans-75.8-19.4175.6-60.7-179.8180176.20112.3I8 T11 K15I8-K13 HydrophobicContact CG2-CB 4.48Å; T11-K13 PolarHBondContact O-N 3.09Å; T11-K13 VanDerWaalsContact O-N 3.07Å; T11-K13 WeakPolarHBondContact OG1-CB 3.43Å; T11-K13 PolarHBondContact OG1-N 3.31Å; K13-K15 PolarHBondContact O-N 3.24Å
14D76.1Confident75.1Confident13 Ų1368.3 Ų68.37%0.0734%0.338CS..  trans-72.3108.3170.4-164.1-23.9000109.2I8 T11 E12 V16 N17I8-D14 HydrophobicContact CG2-CB 4.08Å; I8-D14 WeakPolarHBondContact O-CB 3.39Å; T11-D14 WeakPolarHBondContact O-CB 3.14Å; T11-D14 PolarHBondContact O-N 3.32Å; E12-D14 VanDerWaalsContact C-N 3.29Å; D14-V16 VanDerWaalsContact C-N 3.31Å; D14-V16 WeakPolarHBondContact OD1-CB 3.42Å; D14-V16 PolarHBondContact OD1-N 3.19Å; D14-N17 PolarHBondContact OD1-N 3.29Å; D14-N17 WeakPolarHBondContact OD2-CB 3.47Å; D14-N17 PolarHBondContact OD2-ND2 3.39Å
15K78.3Confident76.8Confident187 Ų18760.4 Ų60.481%0.81331%0.307SS*.SBendtrans-82.2-12.3178.8-65.1-173.9-179.9-177.90112.6K13K13-K15 PolarHBondContact O-N 3.24Å
16V85.9Confident78.6Confident89 Ų8955.9 Ų55.954%0.53929%0.285SS..SBendtrans-96.3-49.3-175.7179.40000110.2D14 L36D14-V16 VanDerWaalsContact C-N 3.31Å; D14-V16 WeakPolarHBondContact OD1-CB 3.42Å; D14-V16 PolarHBondContact OD1-N 3.19Å; V16-L36 HydrophobicContact CG1-CD1 3.83Å; V16-L36 HydrophobicContact CG1-CG 4.45Å; V16-L36 PolarHBondContact O-N 2.71Å
17N87.5Confident80.3Confident22 Ų2253 Ų5312%0.11826%0.26CS..BIsolated β-bridgetrans-91.6146.6-178-58.2-56.8000112F9 D14 S19 R35 N38F9-N17 WeakPolarHBondContact CE2-ND2 3.35Å; D14-N17 PolarHBondContact OD1-N 3.29Å; D14-N17 WeakPolarHBondContact OD2-CB 3.47Å; D14-N17 PolarHBondContact OD2-ND2 3.39Å; N17-S19 PolarHBondContact O-N 3.01Å; N17-R35 WeakPolarHBondContact O-CD 3.14Å; N17-N38 PolarHBondContact OD1-ND2 3.5Å
18C91.4Very high81.8Confident5 Ų557.4 Ų57.43%0.03427%0.268CS..  trans-74.6110.7174-173.50000109.9F20 Y21 F22 R35 L36 H37C18-F20 VanDerWaalsContact C-N 3.27Å; C18-F20 PolarHBondContact O-N 3.3Å; C18-Y21 PolarHBondContact O-N 2.95Å; C18-Y21 PolarHBondContact SG-N 3.07Å; C18-F22 PolarHBondContact O-N 2.89Å; C18-R35 HydrophobicContact CB-CB 3.81Å; C18-L36 WeakPolarHBondContact CB-O 3.43Å; C18-L36 PolarHBondContact N-O 3Å; C18-H37 WeakPolarHBondContact CB-CD2 3.49Å; C18-H37 WeakPolarHBondContact CB-NE2 3.49Å; C18-H37 PolarHBondContact SG-NE2 3.42Å; C18-H37 VanDerWaalsContact SG-NE2 3.39Å
19S89.4Confident83.3Confident7 Ų759.5 Ų59.55%0.04928%0.277CS..Hα-helixtrans-59.2-38.8177.155.30000112.3N17 F22 K23N17-S19 PolarHBondContact O-N 3.01Å; S19-F22 PolarHBondContact O-N 3.01Å; S19-K23 WeakPolarHBondContact O-CB 3.41Å; S19-K23 WeakPolarHBondContact O-CG 3.09Å; S19-K23 PolarHBondContact O-N 2.85Å
20F90.2Very high84.7Confident60 Ų6055.9 Ų55.926%0.26327%0.27SS..Hα-helixtrans-66.8-45.4178.8-73-72.1000112.3C18 F22 K23 I24 N170 F171C18-F20 VanDerWaalsContact C-N 3.27Å; C18-F20 PolarHBondContact O-N 3.3Å; F20-F22 VanDerWaalsContact C-N 3.32Å; F20-F22 PolarHBondContact O-N 3.3Å; F20-K23 PolarHBondContact O-N 2.8Å; F20-I24 HydrophobicContact CD1-CG1 4.27Å; F20-I24 WeakPolarHBondContact O-CA 3.42Å; F20-I24 WeakPolarHBondContact O-CB 3.35Å; F20-I24 VanDerWaalsContact O-CG1 3.24Å; F20-I24 WeakPolarHBondContact O-CG1 3.44Å; F20-I24 PolarHBondContact O-N 3.4Å; F20-N170 HydrophobicContact CD1-CB 3.8Å; F20-N170 HydrophobicContact CE1-CB 3.67Å; F20-N170 HydrophobicContact CZ-CB 4.34Å; F20-F171 HydrophobicContact CE1-CE2 4.37Å; F20-F171 HydrophobicContact CE1-CZ 4.38Å
21Y91.9Very high86Confident12 Ų1263 Ų635%0.04731%0.307CS..Hα-helixtrans-63.1-41.9176.6-176.9-98.5000111.2C18 K23 G25 H37 K39 P146C18-Y21 PolarHBondContact O-N 2.95Å; C18-Y21 PolarHBondContact SG-N 3.07Å; Y21-K23 PolarHBondContact O-N 2.88Å; Y21-G25 VanDerWaalsContact CE2-O 3.3Å; Y21-G25 WeakPolarHBondContact CE2-O 3.39Å; Y21-G25 WeakPolarHBondContact O-CA 3.3Å; Y21-G25 PolarHBondContact O-N 3.24Å; Y21-H37 WeakPolarHBondContact CB-CD2 3.36Å; Y21-H37 HydrophobicContact CD1-CB 3.75Å; Y21-H37 HydrophobicContact CD2-CB 4.17Å; Y21-H37 AromaticContact CD2-CG 3.95Å; Y21-H37 HydrophobicContact CE1-CB 4.01Å; Y21-H37 HydrophobicContact CE2-CB 4.42Å; Y21-H37 HydrophobicContact CG-CB 3.85Å; Y21-H37 AromaticContact CG-CD2 3.71Å; Y21-H37 AromaticContact CG-CG 3.69Å; Y21-K39 WeakPolarHBondContact OH-CG 3.36Å; Y21-P146 HydrophobicContact CD1-CG 4.26Å; Y21-P146 HydrophobicContact CE1-CG 3.95Å; Y21-P146 WeakPolarHBondContact O-CG 2.99Å
22F90.5Very high87.2Confident80 Ų8071.9 Ų71.935%0.35134%0.336SS..Hα-helixtrans-63.5-43.8179.1-173.2-99.2000112.8F9 C18 S19 F20F9-F22 HydrophobicContact CD1-CE2 4.36Å; F9-F22 HydrophobicContact CD1-CZ 4.18Å; F9-F22 HydrophobicContact CE1-CD2 4.4Å; F9-F22 AromaticContact CE1-CE2 3.67Å; F9-F22 HydrophobicContact CE1-CE2 3.67Å; F9-F22 AromaticContact CE1-CZ 3.91Å; F9-F22 HydrophobicContact CE1-CZ 3.91Å; F9-F22 HydrophobicContact CZ-CE2 4.47Å; C18-F22 PolarHBondContact O-N 2.89Å; S19-F22 PolarHBondContact O-N 3.01Å; F20-F22 VanDerWaalsContact C-N 3.32Å; F20-F22 PolarHBondContact O-N 3.3Å
23K90.3Very high88.5Confident65 Ų6566 Ų6628%0.28331%0.311SS..Hα-helixtrans-82.6-36.4-176.8-69.5-172.4176.1-1250114.1G10 S19 F20 Y21 E152 A153G10-K23 WeakPolarHBondContact O-CE 3.37Å; S19-K23 WeakPolarHBondContact O-CB 3.41Å; S19-K23 WeakPolarHBondContact O-CG 3.09Å; S19-K23 PolarHBondContact O-N 2.85Å; F20-K23 PolarHBondContact O-N 2.8Å; Y21-K23 PolarHBondContact O-N 2.88Å; K23-E152 IonicContact NZ-OE2 2.76Å; K23-E152 PolarHBondContact NZ-OE2 2.98Å; K23-A153 WeakPolarHBondContact O-CB 3.34Å
24I92.7Very high89.6Confident1 Ų164.5 Ų64.51%0.00532%0.32CS..Hα-helixtrans-107-19.4-169.6-42-58.6000111.1F20 A26 L109 Y114 V147 A153 F171 M172F20-I24 HydrophobicContact CD1-CG1 4.27Å; F20-I24 WeakPolarHBondContact O-CA 3.42Å; F20-I24 WeakPolarHBondContact O-CB 3.35Å; F20-I24 VanDerWaalsContact O-CG1 3.24Å; F20-I24 WeakPolarHBondContact O-CG1 3.44Å; F20-I24 PolarHBondContact O-N 3.4Å; I24-A26 PolarHBondContact O-N 2.81Å; I24-L109 HydrophobicContact CG2-CD1 4.43Å; I24-L109 HydrophobicContact CG2-CD2 3.75Å; I24-Y114 WeakPolarHBondContact O-CE1 3.19Å; I24-Y114 PolarHBondContact O-OH 2.97Å; I24-V147 VanDerWaalsContact O-CG2 3.28Å; I24-V147 WeakPolarHBondContact O-CG2 3.4Å; I24-A153 VanDerWaalsContact CD1-CA 3.44Å; I24-A153 HydrophobicContact CD1-CB 3.73Å; I24-F171 HydrophobicContact CD1-CD1 3.97Å; I24-F171 HydrophobicContact CD1-CE1 4.38Å; I24-M172 HydrophobicContact CG2-CE 3.77Å; I24-M172 HydrophobicContact CG2-CG 3.9Å; I24-M172 WeakPolarHBondContact O-CE 3.43Å
25G92.1Very high90.3Very high0 Ų068.2 Ų68.20%033%0.333CS..SBendtrans75.6-0.4-173.100000113.7Y21 V147Y21-G25 VanDerWaalsContact CE2-O 3.3Å; Y21-G25 WeakPolarHBondContact CE2-O 3.39Å; Y21-G25 WeakPolarHBondContact O-CA 3.3Å; Y21-G25 PolarHBondContact O-N 3.24Å; G25-V147 VanDerWaalsContact N-CG2 3.35Å
26A93.3Very high91Very high12 Ų1264 Ų6410%0.09932%0.319CS..  trans-141.5151.318000000111.5I24 H108 L109I24-A26 PolarHBondContact O-N 2.81Å; A26-H108 VanDerWaalsContact CB-O 3.24Å; A26-H108 WeakPolarHBondContact CB-O 3.24Å; A26-L109 HydrophobicContact CB-CD2 3.79Å; A26-L109 HydrophobicContact CB-CG 4.49Å
27C93.7Very high91.3Very high12 Ų1261.7 Ų61.78%0.08130%0.302CS..  trans-137.7135177.6-176.10000110.2H29 G30 H37C27-H29 PolarHBondContact O-N 3.43Å; C27-G30 PolarHBondContact O-N 3.3Å; C27-H37 WeakPolarHBondContact CB-CE1 3.23Å; C27-H37 WeakPolarHBondContact CB-NE2 3.47Å
28R92.4Very high91.3Very high150 Ų15064.7 Ų64.757%0.56632%0.319SS*.THydrogen-bonded Turntrans-57-23.1176.873.4-178.4-173.5-170.5-1.5114.9
29H91.8Very high91.3Very high80 Ų8070.4 Ų70.437%0.3734%0.343SS..THydrogen-bonded Turntrans-90.5-9.7179.3-50.6124.2000112.7C27 D31 R32 C33C27-H29 PolarHBondContact O-N 3.43Å; H29-D31 PolarHBondContact O-N 3.46Å; H29-R32 WeakPolarHBondContact O-CA 3.44Å; H29-R32 WeakPolarHBondContact O-CB 3.48Å; H29-R32 PolarHBondContact O-N 2.96Å; H29-C33 HydrophobicContact CB-CB 3.9Å
30G89.9Confident91.3Very high33 Ų3371.7 Ų71.734%0.3435%0.351SS..G310 helixtrans50.2-132.7-175.400000111.7C27 R32 C33 H37C27-G30 PolarHBondContact O-N 3.3Å; G30-R32 PolarHBondContact O-N 3.01Å; G30-C33 WeakPolarHBondContact O-CB 3.25Å; G30-C33 PolarHBondContact O-N 3.39Å; G30-H37 PolarHBondContact O-CE1 2.62Å; G30-H37 PolarHBondContact O-ND1 3.29Å
31D87.8Confident91.3Very high154 Ų15474.2 Ų74.282%0.82437%0.372SS*.G310 helixtrans-71.9-11.3179.1-56.6-43000114H29 C33H29-D31 PolarHBondContact O-N 3.46Å; D31-C33 VanDerWaalsContact C-N 3.25Å; D31-C33 PolarHBondContact O-N 2.97Å
32R92.2Very high91.3Very high226 Ų22680.4 Ų80.485%0.85340%0.399SS*.G310 helixtrans-86.67.6175.1-60.5-172.5-66.4-102-0.7112.9H29 G30H29-R32 WeakPolarHBondContact O-CA 3.44Å; H29-R32 WeakPolarHBondContact O-CB 3.48Å; H29-R32 PolarHBondContact O-N 2.96Å; G30-R32 PolarHBondContact O-N 3.01Å
33C92.4Very high91.5Very high23 Ų2377.1 Ų77.116%0.15539%0.386CS..  trans-64.6136.2177.8-163.50000110.7H29 G30 D31 R35 H37H29-C33 HydrophobicContact CB-CB 3.9Å; G30-C33 WeakPolarHBondContact O-CB 3.25Å; G30-C33 PolarHBondContact O-N 3.39Å; D31-C33 VanDerWaalsContact C-N 3.25Å; D31-C33 PolarHBondContact O-N 2.97Å; C33-R35 PolarHBondContact O-N 3.09Å; C33-H37 WeakPolarHBondContact CB-CE1 3.41Å; C33-H37 WeakPolarHBondContact CB-NE2 3.31Å; C33-H37 PolarHBondContact SG-NE2 2.7Å; C33-H37 VanDerWaalsContact SG-NE2 3.38Å
34S91.6Very high91.8Very high124 Ų12477.2 Ų77.287%0.86739%0.387SS*.SBendtrans-74-12.4175.255.40000113.5
35R91.9Very high92Very high90 Ų9077.3 Ų77.334%0.3439%0.388SS..SBendtrans-107154.9177.6-60.3-174.2-171.5-174.55.4110.1N17 C18 C33N17-R35 WeakPolarHBondContact O-CD 3.14Å; C18-R35 HydrophobicContact CB-CB 3.81Å; C33-R35 PolarHBondContact O-N 3.09Å
36L91.1Very high92.2Very high98 Ų9877.3 Ų77.351%0.51339%0.388SS..BIsolated β-bridgetrans-72.3136.8-176.3-63.1178.6000112.5V16 C18V16-L36 HydrophobicContact CG1-CD1 3.83Å; V16-L36 HydrophobicContact CG1-CG 4.45Å; V16-L36 PolarHBondContact O-N 2.71Å; C18-L36 WeakPolarHBondContact CB-O 3.43Å; C18-L36 PolarHBondContact N-O 3Å
37H93Very high92.4Very high41 Ų4176.8 Ų76.819%0.1938%0.383CS..  trans-106.194170.7-66.7170.8000108.9C18 Y21 C27 G30 C33 K39C18-H37 WeakPolarHBondContact CB-CD2 3.49Å; C18-H37 WeakPolarHBondContact CB-NE2 3.49Å; C18-H37 PolarHBondContact SG-NE2 3.42Å; C18-H37 VanDerWaalsContact SG-NE2 3.39Å; Y21-H37 WeakPolarHBondContact CB-CD2 3.36Å; Y21-H37 HydrophobicContact CD1-CB 3.75Å; Y21-H37 HydrophobicContact CD2-CB 4.17Å; Y21-H37 AromaticContact CD2-CG 3.95Å; Y21-H37 HydrophobicContact CE1-CB 4.01Å; Y21-H37 HydrophobicContact CE2-CB 4.42Å; Y21-H37 HydrophobicContact CG-CB 3.85Å; Y21-H37 AromaticContact CG-CD2 3.71Å; Y21-H37 AromaticContact CG-CG 3.69Å; C27-H37 WeakPolarHBondContact CB-CE1 3.23Å; C27-H37 WeakPolarHBondContact CB-NE2 3.47Å; G30-H37 PolarHBondContact O-CE1 2.62Å; G30-H37 PolarHBondContact O-ND1 3.29Å; C33-H37 WeakPolarHBondContact CB-CE1 3.41Å; C33-H37 WeakPolarHBondContact CB-NE2 3.31Å; C33-H37 PolarHBondContact SG-NE2 2.7Å; C33-H37 VanDerWaalsContact SG-NE2 3.38Å; H37-K39 PolarHBondContact O-N 3.33Å; H37-K39 VanDerWaalsContact O-N 3.14Å
38N87.9Confident92.5Very high86 Ų8676.2 Ų76.246%0.4638%0.38SS..  trans-81.296.9180-64.1-28.1000109.5N17N17-N38 PolarHBondContact OD1-ND2 3.5Å
39K90.1Very high92.5Very high124 Ų12472.9 Ų72.954%0.53937%0.37SS..  trans-66.4123173.8-56.2-154.2175.4-163.60109.1Y21 H37 E143Y21-K39 WeakPolarHBondContact OH-CG 3.36Å; H37-K39 PolarHBondContact O-N 3.33Å; H37-K39 VanDerWaalsContact O-N 3.14Å; K39-E143 IonicContact NZ-OE2 3.45Å; K39-E143 PolarHBondContact NZ-OE2 3.33Å
40P90.9Very high92.4Very high34 Ų3472.6 Ų72.622%0.22137%0.371CS..  trans-68141.9179.128.6-33.8000110.4F42 L144 P146P40-F42 WeakPolarHBondContact CB-O 2.98Å; P40-L144 HydrophobicContact CG-CB 4.05Å; P40-P146 HydrophobicContact CG-CB 4.39Å
41T90.2Very high92.4Very high114 Ų11472 Ų7270%0.69936%0.36SS*.SBendtrans-82.4-19.617250.70000112.3L144T41-L144 WeakPolarHBondContact O-CD1 3.21Å
42F92Very high92.4Very high141 Ų14165.3 Ų65.362%0.61832%0.324SS*.SBendtrans-140.8134.8173.255.3-86.5000108.4P40 E120P40-F42 WeakPolarHBondContact CB-O 2.98Å; F42-E120 WeakPolarHBondContact CD2-OE2 3.49Å
43S94.6Very high92Very high11 Ų1160.9 Ų60.98%0.07731%0.307CS..  trans-156.4153.5174.7-175.70000109.6T45 A123 S145S43-T45 VanDerWaalsContact C-N 3.29Å; S43-T45 PolarHBondContact OG-N 3.3Å; S43-T45 VanDerWaalsContact OG-N 3.1Å; S43-T45 PolarHBondContact OG-O 3.34Å; S43-A123 WeakPolarHBondContact O-CB 3.43Å; S43-S145 VanDerWaalsContact CB-O 3.31Å; S43-S145 WeakPolarHBondContact CB-O 3.4Å; S43-S145 PolarHBondContact OG-O 3.24Å
44Q95.9Very high91Very high68 Ų6860.6 Ų60.632%0.31830%0.304SS..SBendtrans-78.8-21.7170.3-66.6173.77.300111.4K116 F117 E120Q44-K116 HydrophobicContact CB-CG 4.36Å; Q44-F117 PolarHBondContact O-N 3.43Å; Q44-E120 HydrophobicContact CB-CG 4.43Å; Q44-E120 HydrophobicContact CG-CG 3.41Å; Q44-E120 VanDerWaalsContact CG-CG 3.41Å; Q44-E120 PolarHBondContact NE2-OE1 3.08Å
45T96.8Very high89.9Confident2 Ų257.5 Ų57.51%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-106.5131.9-172.9-49.20000110.1S43 Y114 V115 K116 S145 V147 F150S43-T45 VanDerWaalsContact C-N 3.29Å; S43-T45 PolarHBondContact OG-N 3.3Å; S43-T45 VanDerWaalsContact OG-N 3.1Å; S43-T45 PolarHBondContact OG-O 3.34Å; T45-Y114 HydrophobicContact CG2-CD1 4.5Å; T45-V115 CarbonylContact C-O 3.57Å; T45-V115 WeakPolarHBondContact CA-O 3.41Å; T45-K116 HydrophobicContact CG2-CB 4.46Å; T45-S145 PolarHBondContact O-N 2.84Å; T45-V147 VanDerWaalsContact CB-O 3.23Å; T45-V147 WeakPolarHBondContact CB-O 3.38Å; T45-V147 HydrophobicContact CG2-CB 4.46Å; T45-V147 PolarHBondContact OG1-O 2.89Å; T45-F150 HydrophobicContact CG2-CZ 3.87Å
46I96.9Very high88.5Confident0 Ų058.1 Ų58.10%029%0.287CS..EExtended strand (participates in β ladder)trans-107.6152.6169.369.2165.6000109.6I48 M89 Y114 V115 F117 A123 A126 V127 L130 E143 L144I46-I48 HydrophobicContact CD1-CD1 4.2Å; I46-I48 HydrophobicContact CD1-CG1 4.11Å; I46-M89 HydrophobicContact CD1-SD 4.36Å; I46-Y114 WeakPolarHBondContact O-CA 3.37Å; I46-V115 HydrophobicContact CD1-CB 4.17Å; I46-V115 HydrophobicContact CD1-CG2 4.37Å; I46-V115 HydrophobicContact CG1-CB 3.73Å; I46-V115 HydrophobicContact CG1-CG2 4.25Å; I46-V115 PolarHBondContact N-O 3.25Å; I46-V115 PolarHBondContact O-N 3.31Å; I46-F117 HydrophobicContact CD1-CE2 3.78Å; I46-F117 HydrophobicContact CD1-CZ 4.33Å; I46-F117 HydrophobicContact CG1-CE2 3.89Å; I46-F117 HydrophobicContact CG2-CD2 4.37Å; I46-F117 HydrophobicContact CG2-CE2 4.08Å; I46-A123 HydrophobicContact CG2-CB 3.62Å; I46-A126 HydrophobicContact CD1-CB 4.07Å; I46-V127 HydrophobicContact CB-CG2 4.06Å; I46-V127 HydrophobicContact CG2-CG2 3.62Å; I46-L130 HydrophobicContact CD1-CD1 3.89Å; I46-E143 CarbonylContact C-O 3.58Å; I46-E143 WeakPolarHBondContact CA-O 3.49Å; I46-L144 HydrophobicContact CG2-CD2 4.18Å
47L96.4Very high87.1Confident1 Ų156.3 Ų56.31%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-115.3125.2169.1164.959.6000108.1Q49 N112 Y114 A142 E143L47-Q49 HydrophobicContact CD1-CG 4.49Å; L47-Q49 HydrophobicContact CD2-CG 4.12Å; L47-Q49 HydrophobicContact CG-CG 3.99Å; L47-N112 HydrophobicContact CD1-CB 3.62Å; L47-Y114 HydrophobicContact CB-CD1 4.21Å; L47-Y114 HydrophobicContact CB-CE1 4.04Å; L47-Y114 HydrophobicContact CD1-CD1 4.17Å; L47-Y114 HydrophobicContact CD1-CD2 4.47Å; L47-Y114 HydrophobicContact CD1-CE1 3.73Å; L47-Y114 HydrophobicContact CD1-CE2 4.05Å; L47-Y114 HydrophobicContact CD2-CE1 4.24Å; L47-Y114 HydrophobicContact CG-CE1 4.21Å; L47-A142 CarbonylContact O-C 3.6Å; L47-A142 VanDerWaalsContact O-CA 3.31Å; L47-A142 WeakPolarHBondContact O-CA 3.49Å; L47-E143 HydrophobicContact CB-CG 4.26Å; L47-E143 HydrophobicContact CD2-CG 4.41Å; L47-E143 HydrophobicContact CG-CG 4.49Å; L47-E143 PolarHBondContact N-O 3.37Å; L47-E143 PolarHBondContact O-N 3.32Å
48I96.1Very high85.1Confident1 Ų157.6 Ų57.61%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-105.5115.7168.1-50173.6000107.3I46 I51 M89 N112 V113 V115 L130 I140 H141 A142I46-I48 HydrophobicContact CD1-CD1 4.2Å; I46-I48 HydrophobicContact CD1-CG1 4.11Å; I48-I51 HydrophobicContact CB-CG2 4.18Å; I48-I51 HydrophobicContact CG2-CB 3.86Å; I48-I51 HydrophobicContact CG2-CD1 3.75Å; I48-I51 HydrophobicContact CG2-CG1 4.42Å; I48-I51 HydrophobicContact CG2-CG2 3.78Å; I48-M89 HydrophobicContact CD1-CE 3.52Å; I48-M89 HydrophobicContact CD1-SD 4.48Å; I48-N112 WeakPolarHBondContact O-CA 3.5Å; I48-V113 HydrophobicContact CB-CB 4.37Å; I48-V113 PolarHBondContact N-O 3.33Å; I48-V113 PolarHBondContact O-N 3.02Å; I48-V115 HydrophobicContact CD1-CG2 4.49Å; I48-L130 HydrophobicContact CD1-CD1 3.84Å; I48-L130 HydrophobicContact CG1-CD1 4.24Å; I48-I140 HydrophobicContact CG2-CG2 3.57Å; I48-H141 CarbonylContact C-O 3.59Å; I48-H141 WeakPolarHBondContact CA-O 3.49Å; I48-A142 HydrophobicContact CG1-CB 4.39Å
49Q93.5Very high83.1Confident79 Ų7956.3 Ų56.337%0.36929%0.294SS..EExtended strand (participates in β ladder)trans-82.2134.1-171.1-62.2-178.8-6.800111.4L47 I51 N112 H141 E143L47-Q49 HydrophobicContact CD1-CG 4.49Å; L47-Q49 HydrophobicContact CD2-CG 4.12Å; L47-Q49 HydrophobicContact CG-CG 3.99Å; Q49-I51 PolarHBondContact O-N 2.61Å; Q49-N112 WeakPolarHBondContact CA-OD1 3.13Å; Q49-H141 HydrophobicContact CB-CB 4.28Å; Q49-H141 PolarHBondContact N-O 2.9Å; Q49-E143 PolarHBondContact NE2-OE1 3.39Å
50N89.8Confident81.1Confident74 Ų7458.1 Ų58.140%0.39630%0.304SS..THydrogen-bonded Turntrans49.834.5168.9-167.131.8000115.6N112N50-N112 PolarHBondContact N-OD1 2.93Å; N50-N112 VanDerWaalsContact N-OD1 3.08Å
51I89.9Confident79Confident20 Ų2062.5 Ų62.510%0.10333%0.33CS..  trans-86.9-33.7-178.2-167.5161.3000111.9I48 Q49 R53 F81 G111 V113 F135 I140I48-I51 HydrophobicContact CB-CG2 4.18Å; I48-I51 HydrophobicContact CG2-CB 3.86Å; I48-I51 HydrophobicContact CG2-CD1 3.75Å; I48-I51 HydrophobicContact CG2-CG1 4.42Å; I48-I51 HydrophobicContact CG2-CG2 3.78Å; Q49-I51 PolarHBondContact O-N 2.61Å; I51-R53 PolarHBondContact O-N 2.83Å; I51-F81 HydrophobicContact CG2-CZ 4.25Å; I51-G111 PolarHBondContact N-O 3.1Å; I51-V113 HydrophobicContact CG2-CB 3.87Å; I51-V113 HydrophobicContact CG2-CG2 3.29Å; I51-F135 HydrophobicContact CD1-CB 4.13Å; I51-F135 HydrophobicContact CD1-CD1 3.94Å; I51-F135 HydrophobicContact CD1-CG 4.01Å; I51-F135 HydrophobicContact CG1-CB 4.46Å; I51-F135 HydrophobicContact CG1-CD1 3.53Å; I51-F135 HydrophobicContact CG1-CE1 3.98Å; I51-F135 HydrophobicContact CG1-CG 4.13Å; I51-I140 HydrophobicContact CD1-CD1 4.33Å; I51-I140 HydrophobicContact CD1-CG1 4.24Å; I51-I140 HydrophobicContact CD1-CG2 4.29Å
52Y88.2Confident76.7Confident14 Ų1460.8 Ų60.86%0.05533%0.328CS..  trans-83.4117.5174.9-179-114000110.6N54 Y78 F81 V101 G111 K175Y52-N54 HydrophobicContact CE1-CB 3.92Å; Y52-Y78 HydrophobicContact CD2-CD2 4.35Å; Y52-Y78 HydrophobicContact CE1-CD2 4.21Å; Y52-Y78 HydrophobicContact CE1-CE2 4.47Å; Y52-Y78 AromaticContact CE2-CD2 3.63Å; Y52-Y78 HydrophobicContact CE2-CD2 3.63Å; Y52-Y78 HydrophobicContact CE2-CE2 4.31Å; Y52-Y78 AromaticContact CZ-CD2 3.53Å; Y52-F81 AromaticContact CD2-CD1 3.43Å; Y52-F81 HydrophobicContact CD2-CD1 3.43Å; Y52-F81 VanDerWaalsContact CD2-CD1 3.43Å; Y52-F81 HydrophobicContact CD2-CD2 4.29Å; Y52-F81 AromaticContact CD2-CE1 3.46Å; Y52-F81 HydrophobicContact CD2-CE1 3.46Å; Y52-F81 VanDerWaalsContact CD2-CE1 3.46Å; Y52-F81 HydrophobicContact CD2-CE2 4.31Å; Y52-F81 AromaticContact CD2-CG 3.87Å; Y52-F81 HydrophobicContact CD2-CG 3.87Å; Y52-F81 AromaticContact CD2-CZ 3.91Å; Y52-F81 HydrophobicContact CD2-CZ 3.91Å; Y52-F81 AromaticContact CE2-CD1 3.97Å; Y52-F81 HydrophobicContact CE2-CD1 3.97Å; Y52-F81 HydrophobicContact CE2-CE1 4.41Å; Y52-F81 HydrophobicContact CE2-CG 4.27Å; Y52-F81 HydrophobicContact CG-CD1 4.31Å; Y52-F81 AromaticContact CG-CE1 3.93Å; Y52-F81 HydrophobicContact CG-CE1 3.93Å; Y52-F81 HydrophobicContact CG-CZ 4.3Å; Y52-V101 HydrophobicContact CD1-CG1 3.72Å; Y52-V101 HydrophobicContact CG-CG1 3.7Å; Y52-G111 PolarHBondContact N-O 3.43Å; Y52-G111 WeakPolarHBondContact O-CA 3.27Å; Y52-K175 HydrophobicContact CE1-CD 4.1Å; Y52-K175 PolarHBondContact OH-NZ 2.8Å
53R82.3Confident74.1Confident133 Ų13361.1 Ų61.150%0.50234%0.336SS..  trans-107.2107.7173.9-70.8177.9170.2-159.6-15109.1I51 P55I51-R53 PolarHBondContact O-N 2.83Å; R53-P55 VanDerWaalsContact O-CD 3.26Å; R53-P55 WeakPolarHBondContact O-CD 3.48Å
54N72.6Confident71.6Confident18 Ų1865.8 Ų65.810%0.09638%0.375CS..  trans-67.5119.7173.6-172.7-19.3000108.9Y52 Q56 N57 S58 D103Y52-N54 HydrophobicContact CE1-CB 3.92Å; N54-Q56 PolarHBondContact O-N 2.72Å; N54-Q56 VanDerWaalsContact O-N 3.11Å; N54-Q56 PolarHBondContact OD1-N 2.8Å; N54-Q56 VanDerWaalsContact OD1-N 3.13Å; N54-N57 HydrophobicContact CB-CB 4.28Å; N54-N57 WeakPolarHBondContact O-CB 3.11Å; N54-N57 PolarHBondContact O-N 2.62Å; N54-S58 PolarHBondContact O-N 2.96Å; N54-S58 PolarHBondContact O-OG 3.33Å; N54-D103 PolarHBondContact ND2-OD1 2.87Å
55P68.4Low69.5Low58 Ų5866.8 Ų66.838%0.37739%0.39SS..Hα-helixtrans-53.7-32179.8-27.235.7000113.4R53 N57 S58 A59R53-P55 VanDerWaalsContact O-CD 3.26Å; R53-P55 WeakPolarHBondContact O-CD 3.48Å; P55-N57 VanDerWaalsContact C-N 3.32Å; P55-N57 PolarHBondContact O-N 3.37Å; P55-S58 VanDerWaalsContact C-OG 3.29Å; P55-S58 VanDerWaalsContact CA-OG 3.29Å; P55-S58 WeakPolarHBondContact CA-OG 3.31Å; P55-S58 PolarHBondContact O-N 2.86Å; P55-S58 PolarHBondContact O-OG 3.46Å; P55-A59 PolarHBondContact O-N 3.49Å
56Q63.1Low67Low103 Ų10377.8 Ų77.848%0.48143%0.431SS..Hα-helixtrans-67.2-31.3177.2-63-170-46.700113.2N54 M74N54-Q56 PolarHBondContact O-N 2.72Å; N54-Q56 VanDerWaalsContact O-N 3.11Å; N54-Q56 PolarHBondContact OD1-N 2.8Å; N54-Q56 VanDerWaalsContact OD1-N 3.13Å; Q56-M74 HydrophobicContact CG-CE 4.31Å; Q56-M74 HydrophobicContact CG-SD 3.24Å; Q56-M74 WeakPolarHBondContact CG-SD 3.44Å; Q56-M74 PolarHBondContact NE2-SD 2.95Å
57N59.8Low64.5Low60 Ų6082.9 Ų82.932%0.32147%0.465SS..Hα-helixtrans-78.6-34.7-178.5-135.625.3000110.9N54 P55 A59 Q60N54-N57 HydrophobicContact CB-CB 4.28Å; N54-N57 WeakPolarHBondContact O-CB 3.11Å; N54-N57 PolarHBondContact O-N 2.62Å; P55-N57 VanDerWaalsContact C-N 3.32Å; P55-N57 PolarHBondContact O-N 3.37Å; N57-A59 VanDerWaalsContact C-N 3.29Å; N57-A59 PolarHBondContact O-N 2.81Å; N57-Q60 PolarHBondContact O-N 3.33Å
58S52.7Low62.4Low68 Ų6888 Ų8848%0.47651%0.508SS..Hα-helixtrans-64.9-29.1173.428.60000113.8N54 P55 Q60 T61N54-S58 PolarHBondContact O-N 2.96Å; N54-S58 PolarHBondContact O-OG 3.33Å; P55-S58 VanDerWaalsContact C-OG 3.29Å; P55-S58 VanDerWaalsContact CA-OG 3.29Å; P55-S58 WeakPolarHBondContact CA-OG 3.31Å; P55-S58 PolarHBondContact O-N 2.86Å; P55-S58 PolarHBondContact O-OG 3.46Å; S58-Q60 VanDerWaalsContact C-N 3.25Å; S58-Q60 PolarHBondContact O-N 3.29Å; S58-T61 PolarHBondContact O-N 2.92Å; S58-T61 PolarHBondContact O-OG1 3.49Å
59A45.9Very low60.8Low60 Ų6090.3 Ų90.350%0.49652%0.522SS..THydrogen-bonded Turntrans-72.7-12.2178.400000114P55 N57P55-A59 PolarHBondContact O-N 3.49Å; N57-A59 VanDerWaalsContact C-N 3.29Å; N57-A59 PolarHBondContact O-N 2.81Å
60Q48.1Very low60Low162 Ų16288.9 Ų88.976%0.75752%0.521SS*.THydrogen-bonded Turntrans-82.7-14.9176.7-79.8-178.4200113.9N57 S58N57-Q60 PolarHBondContact O-N 3.33Å; S58-Q60 VanDerWaalsContact C-N 3.25Å; S58-Q60 PolarHBondContact O-N 3.29Å
61T45.1Very low59.4Low126 Ų12691.6 Ų91.677%0.77354%0.535SS*.THydrogen-bonded Turntrans-107.3-12.2-170.638.30000116.2S58S58-T61 PolarHBondContact O-N 2.92Å; S58-T61 PolarHBondContact O-OG1 3.49Å
62A41.8Very low59.1Low78 Ų7895.2 Ų95.265%0.64556%0.558SS**SBendtrans-155.7118.7173.300000111.5
63D38.8Very low58.9Low147 Ų14798.8 Ų98.879%0.78658%0.575SS**  trans66.9114.2167.8-131.2-23.9000116S65D63-S65 PolarHBondContact O-N 2.88Å
64A41.3Very low58.9Low109 Ų10993.2 Ų93.290%0.90156%0.555SS**SBendtrans-7342.8-178.900000112.8
65S52.8Low59.6Low90 Ų9095.2 Ų95.263%0.62956%0.564SS**  trans-158.891.8178.5-153.30000110.6D63D63-S65 PolarHBondContact O-N 2.88Å
66R42.8Very low60.5Low233 Ų23397.8 Ų97.888%0.87957%0.571SS**SBendtrans-177.7121.4142.8-97.7149.9-174.8-165.90.6112.1
67C45.4Very low61.7Low106 Ų10697.8 Ų97.872%0.71657%0.571SS**  trans60.5100.7164.8-56.40000116.6V69C67-V69 HydrophobicContact CB-CG2 3.65Å; C67-V69 PolarHBondContact O-N 3.48Å
68A52.7Low63.2Low110 Ų11095 Ų9591%0.90956%0.555SS**  trans-63.274.5145.600000107.9S70A68-S70 PolarHBondContact O-N 3.41Å
69V61.3Low65Low48 Ų4892.9 Ų92.929%0.29154%0.539SS..  trans-59.2128.4168.7-1740000105.5C67 E73 M74C67-V69 HydrophobicContact CB-CG2 3.65Å; C67-V69 PolarHBondContact O-N 3.48Å; V69-E73 HydrophobicContact CG1-CB 3.51Å; V69-M74 HydrophobicContact CB-CG 3.94Å; V69-M74 HydrophobicContact CB-SD 4.32Å; V69-M74 HydrophobicContact CG1-CG 3.58Å; V69-M74 WeakPolarHBondContact O-CE 3.2Å
70S76.3Confident67.2Low50 Ų5095.6 Ų95.635%0.3554%0.542SS..  trans-65.4151.2-179.365.10000110.3A68 V72 E73 M74A68-S70 PolarHBondContact O-N 3.41Å; S70-V72 PolarHBondContact O-N 3.07Å; S70-E73 WeakPolarHBondContact CB-OE2 3.44Å; S70-E73 PolarHBondContact N-OE2 2.92Å; S70-E73 PolarHBondContact O-N 3.47Å; S70-E73 VanDerWaalsContact O-N 3.13Å; S70-E73 VanDerWaalsContact OG-CD 3.3Å; S70-E73 VanDerWaalsContact OG-CG 3.3Å; S70-E73 WeakPolarHBondContact OG-CG 3.35Å; S70-E73 PolarHBondContact OG-N 3.01Å; S70-E73 PolarHBondContact OG-OE2 2.93Å; S70-M74 PolarHBondContact O-N 2.85Å
71D78.1Confident69.3Low131 Ų13188.9 Ų88.970%0.70151%0.51SS*.Hα-helixtrans-55.5-25.7177.2-67.2-25.6000112.5M74 Q75D71-M74 HydrophobicContact CB-CE 4.46Å; D71-M74 WeakPolarHBondContact OD1-CE 3.26Å; D71-Q75 PolarHBondContact O-N 3.22Å; D71-Q75 VanDerWaalsContact O-N 3.15Å
72V82.8Confident71.6Confident96 Ų9683.1 Ų83.158%0.58247%0.474SS*.Hα-helixtrans-70.4-53.9176.6-177.70000111S70 M74 Q75 E76S70-V72 PolarHBondContact O-N 3.07Å; V72-M74 PolarHBondContact O-N 2.79Å; V72-Q75 WeakPolarHBondContact O-CB 3.23Å; V72-Q75 PolarHBondContact O-N 3.21Å; V72-E76 PolarHBondContact O-N 3.23Å
73E84.3Confident74.1Confident89 Ų8983.4 Ų83.442%0.41646%0.462SS..Hα-helixtrans-60.3-35.6177.9-70.7163.1140.300111.1V69 S70 Q75 E76 H77V69-E73 HydrophobicContact CG1-CB 3.51Å; S70-E73 WeakPolarHBondContact CB-OE2 3.44Å; S70-E73 PolarHBondContact N-OE2 2.92Å; S70-E73 PolarHBondContact O-N 3.47Å; S70-E73 VanDerWaalsContact O-N 3.13Å; S70-E73 VanDerWaalsContact OG-CD 3.3Å; S70-E73 VanDerWaalsContact OG-CG 3.3Å; S70-E73 WeakPolarHBondContact OG-CG 3.35Å; S70-E73 PolarHBondContact OG-N 3.01Å; S70-E73 PolarHBondContact OG-OE2 2.93Å; E73-Q75 VanDerWaalsContact C-N 3.34Å; E73-Q75 PolarHBondContact O-N 2.94Å; E73-E76 PolarHBondContact O-N 3.02Å; E73-H77 PolarHBondContact O-CD2 3.38Å; E73-H77 PolarHBondContact O-N 3.14Å
74M83.1Confident76.6Confident16 Ų1681.6 Ų81.68%0.07945%0.449CS..Hα-helixtrans-67.7-34.1176-70.2-172.9-75.800113.3Q56 V69 S70 D71 V72 Y78Q56-M74 HydrophobicContact CG-CE 4.31Å; Q56-M74 HydrophobicContact CG-SD 3.24Å; Q56-M74 WeakPolarHBondContact CG-SD 3.44Å; Q56-M74 PolarHBondContact NE2-SD 2.95Å; V69-M74 HydrophobicContact CB-CG 3.94Å; V69-M74 HydrophobicContact CB-SD 4.32Å; V69-M74 HydrophobicContact CG1-CG 3.58Å; V69-M74 WeakPolarHBondContact O-CE 3.2Å; S70-M74 PolarHBondContact O-N 2.85Å; D71-M74 HydrophobicContact CB-CE 4.46Å; D71-M74 WeakPolarHBondContact OD1-CE 3.26Å; V72-M74 PolarHBondContact O-N 2.79Å; M74-Y78 WeakPolarHBondContact O-CB 3.46Å; M74-Y78 PolarHBondContact O-N 3.26Å
75Q86.4Confident79.1Confident60 Ų6076.6 Ų76.628%0.2841%0.407SS..Hα-helixtrans-71.1-40.3173.9-1736644.600110.9D71 V72 E73 Y78 D79 P176D71-Q75 PolarHBondContact O-N 3.22Å; D71-Q75 VanDerWaalsContact O-N 3.15Å; V72-Q75 WeakPolarHBondContact O-CB 3.23Å; V72-Q75 PolarHBondContact O-N 3.21Å; E73-Q75 VanDerWaalsContact C-N 3.34Å; E73-Q75 PolarHBondContact O-N 2.94Å; Q75-Y78 PolarHBondContact O-N 3.48Å; Q75-D79 PolarHBondContact NE2-OD1 2.89Å; Q75-D79 WeakPolarHBondContact O-CB 3.34Å; Q75-D79 PolarHBondContact O-N 3.16Å; Q75-P176 PolarHBondContact NE2-O 3.07Å
76E88.4Confident81Confident111 Ų11172.4 Ų72.452%0.51938%0.378SS..Hα-helixtrans-60.1-49.4175.8-70.9175.7168.600111.1V72 E73 Y78 D79 E80V72-E76 PolarHBondContact O-N 3.23Å; E73-E76 PolarHBondContact O-N 3.02Å; E76-Y78 VanDerWaalsContact C-N 3.26Å; E76-Y78 PolarHBondContact O-N 2.68Å; E76-D79 PolarHBondContact O-N 3.22Å; E76-D79 VanDerWaalsContact O-N 3.15Å; E76-E80 WeakPolarHBondContact O-CG 3.43Å; E76-E80 PolarHBondContact O-N 2.76Å
77H88.4Confident83.3Confident103 Ų10363.6 Ų63.648%0.47735%0.35SS..Hα-helixtrans-60.2-34.5175.4-72.1-48.7000113.5E73 E80 F81E73-H77 PolarHBondContact O-CD2 3.38Å; E73-H77 PolarHBondContact O-N 3.14Å; H77-E80 IonicContact ND1-OE2 3.58Å; H77-F81 WeakPolarHBondContact O-CB 3.48Å; H77-F81 PolarHBondContact O-N 2.82Å; H77-F81 VanDerWaalsContact O-N 3.13Å
78Y90.9Very high85.6Confident1 Ų160.2 Ų60.20%0.00432%0.324CS..Hα-helixtrans-70.6-42.6175.6174.3-113.7000111.9Y52 M74 Q75 E76 F81 F82 V101 K175 P176 I177Y52-Y78 HydrophobicContact CD2-CD2 4.35Å; Y52-Y78 HydrophobicContact CE1-CD2 4.21Å; Y52-Y78 HydrophobicContact CE1-CE2 4.47Å; Y52-Y78 AromaticContact CE2-CD2 3.63Å; Y52-Y78 HydrophobicContact CE2-CD2 3.63Å; Y52-Y78 HydrophobicContact CE2-CE2 4.31Å; Y52-Y78 AromaticContact CZ-CD2 3.53Å; M74-Y78 WeakPolarHBondContact O-CB 3.46Å; M74-Y78 PolarHBondContact O-N 3.26Å; Q75-Y78 PolarHBondContact O-N 3.48Å; E76-Y78 VanDerWaalsContact C-N 3.26Å; E76-Y78 PolarHBondContact O-N 2.68Å; Y78-F81 PolarHBondContact O-N 3.05Å; Y78-F82 WeakPolarHBondContact O-CB 3.39Å; Y78-F82 PolarHBondContact O-N 2.83Å; Y78-V101 HydrophobicContact CE2-CB 4.02Å; Y78-V101 HydrophobicContact CE2-CG1 4.1Å; Y78-V101 HydrophobicContact CE2-CG2 4.1Å; Y78-V101 WeakPolarHBondContact OH-CB 3.39Å; Y78-K175 HydrophobicContact CD1-CD 4.06Å; Y78-K175 HydrophobicContact CD1-CG 4.01Å; Y78-K175 HydrophobicContact CD2-CD 3.76Å; Y78-K175 HydrophobicContact CD2-CG 4.35Å; Y78-K175 HydrophobicContact CE1-CB 4.08Å; Y78-K175 HydrophobicContact CE1-CD 4.12Å; Y78-K175 HydrophobicContact CE1-CG 3.67Å; Y78-K175 HydrophobicContact CE2-CB 4.09Å; Y78-K175 HydrophobicContact CE2-CD 3.83Å; Y78-K175 HydrophobicContact CE2-CG 4.06Å; Y78-K175 HydrophobicContact CG-CD 3.86Å; Y78-K175 HydrophobicContact CG-CG 4.32Å; Y78-K175 PolarHBondContact OH-O 3.22Å; Y78-P176 WeakPolarHBondContact CE1-O 3.5Å; Y78-I177 HydrophobicContact CE1-CB 4.46Å; Y78-I177 HydrophobicContact CE1-CG2 3.68Å
79D91.3Very high87.6Confident25 Ų2555.2 Ų55.213%0.13428%0.281CS..Hα-helixtrans-64.4-42.5178-79.10.1000111Q75 E76 F82 E83 S178 L181Q75-D79 PolarHBondContact NE2-OD1 2.89Å; Q75-D79 WeakPolarHBondContact O-CB 3.34Å; Q75-D79 PolarHBondContact O-N 3.16Å; E76-D79 PolarHBondContact O-N 3.22Å; E76-D79 VanDerWaalsContact O-N 3.15Å; D79-F82 PolarHBondContact O-N 2.81Å; D79-E83 WeakPolarHBondContact O-CB 3.32Å; D79-E83 PolarHBondContact O-N 3.05Å; D79-S178 PolarHBondContact OD1-N 2.89Å; D79-S178 VanDerWaalsContact OD1-N 3.11Å; D79-S178 WeakPolarHBondContact OD2-CB 3.48Å; D79-S178 PolarHBondContact OD2-OG 3.24Å; D79-L181 HydrophobicContact CB-CD2 3.77Å; D79-L181 WeakPolarHBondContact O-CD2 3.29Å
80E91.1Very high89.1Confident117 Ų11756.2 Ų56.255%0.54728%0.283SS..Hα-helixtrans-57.8-50.2172.9-73.9175.5169.300111.6E76 H77 F82 E83 E84E76-E80 WeakPolarHBondContact O-CG 3.43Å; E76-E80 PolarHBondContact O-N 2.76Å; H77-E80 IonicContact ND1-OE2 3.58Å; E80-F82 VanDerWaalsContact C-N 3.32Å; E80-F82 PolarHBondContact O-N 2.9Å; E80-E83 PolarHBondContact O-N 2.99Å; E80-E84 WeakPolarHBondContact O-CB 3.4Å; E80-E84 PolarHBondContact O-N 2.92Å
81F92.5Very high89.8Confident21 Ų2161.5 Ų61.59%0.09230%0.302CS..Hα-helixtrans-58.4-44.6176.1167.3-95000111.8I51 Y52 H77 Y78 E84 V85 V101 V113 F135I51-F81 HydrophobicContact CG2-CZ 4.25Å; Y52-F81 AromaticContact CD2-CD1 3.43Å; Y52-F81 HydrophobicContact CD2-CD1 3.43Å; Y52-F81 VanDerWaalsContact CD2-CD1 3.43Å; Y52-F81 HydrophobicContact CD2-CD2 4.29Å; Y52-F81 AromaticContact CD2-CE1 3.46Å; Y52-F81 HydrophobicContact CD2-CE1 3.46Å; Y52-F81 VanDerWaalsContact CD2-CE1 3.46Å; Y52-F81 HydrophobicContact CD2-CE2 4.31Å; Y52-F81 AromaticContact CD2-CG 3.87Å; Y52-F81 HydrophobicContact CD2-CG 3.87Å; Y52-F81 AromaticContact CD2-CZ 3.91Å; Y52-F81 HydrophobicContact CD2-CZ 3.91Å; Y52-F81 AromaticContact CE2-CD1 3.97Å; Y52-F81 HydrophobicContact CE2-CD1 3.97Å; Y52-F81 HydrophobicContact CE2-CE1 4.41Å; Y52-F81 HydrophobicContact CE2-CG 4.27Å; Y52-F81 HydrophobicContact CG-CD1 4.31Å; Y52-F81 AromaticContact CG-CE1 3.93Å; Y52-F81 HydrophobicContact CG-CE1 3.93Å; Y52-F81 HydrophobicContact CG-CZ 4.3Å; H77-F81 WeakPolarHBondContact O-CB 3.48Å; H77-F81 PolarHBondContact O-N 2.82Å; H77-F81 VanDerWaalsContact O-N 3.13Å; Y78-F81 PolarHBondContact O-N 3.05Å; F81-E84 PolarHBondContact O-N 3.35Å; F81-V85 HydrophobicContact CD2-CG2 4.18Å; F81-V85 HydrophobicContact CE1-CG2 4.29Å; F81-V85 HydrophobicContact CE2-CG2 3.73Å; F81-V85 HydrophobicContact CZ-CG2 3.79Å; F81-V85 WeakPolarHBondContact O-CG2 3.49Å; F81-V85 PolarHBondContact O-N 3.28Å; F81-V85 VanDerWaalsContact O-N 3.07Å; F81-V101 HydrophobicContact CE1-CG1 4.46Å; F81-V101 HydrophobicContact CE1-CG2 4.26Å; F81-V113 HydrophobicContact CE1-CG2 4.27Å; F81-V113 HydrophobicContact CZ-CG2 4.14Å; F81-F135 HydrophobicContact CD2-CE1 4.28Å; F81-F135 HydrophobicContact CD2-CZ 4.02Å; F81-F135 AromaticContact CE2-CE1 3.84Å; F81-F135 HydrophobicContact CE2-CE1 3.84Å; F81-F135 AromaticContact CE2-CZ 3.88Å; F81-F135 HydrophobicContact CE2-CZ 3.88Å
82F94Very high90.5Very high5 Ų561 Ų612%0.02229%0.293CS..Hα-helixtrans-65.2-42.2-179.9-169.2-78.9000111.1Y78 D79 E80 F86 M99 V101 I177 L181 L185Y78-F82 WeakPolarHBondContact O-CB 3.39Å; Y78-F82 PolarHBondContact O-N 2.83Å; D79-F82 PolarHBondContact O-N 2.81Å; E80-F82 VanDerWaalsContact C-N 3.32Å; E80-F82 PolarHBondContact O-N 2.9Å; F82-F86 HydrophobicContact CD1-CB 4.45Å; F82-F86 HydrophobicContact CE1-CB 4.44Å; F82-F86 HydrophobicContact CE1-CD2 4.26Å; F82-F86 WeakPolarHBondContact O-CB 3.42Å; F82-F86 PolarHBondContact O-N 3Å; F82-M99 HydrophobicContact CB-CE 4.37Å; F82-M99 HydrophobicContact CD1-CE 3.55Å; F82-M99 HydrophobicContact CD2-CE 3.46Å; F82-M99 VanDerWaalsContact CD2-CE 3.46Å; F82-M99 HydrophobicContact CE1-CE 3.53Å; F82-M99 HydrophobicContact CE2-CB 4.44Å; F82-M99 HydrophobicContact CE2-CE 3.44Å; F82-M99 VanDerWaalsContact CE2-CE 3.44Å; F82-M99 HydrophobicContact CE2-CG 4.23Å; F82-M99 HydrophobicContact CG-CE 3.52Å; F82-M99 HydrophobicContact CZ-CB 3.99Å; F82-M99 HydrophobicContact CZ-CE 3.48Å; F82-M99 VanDerWaalsContact CZ-CE 3.48Å; F82-M99 HydrophobicContact CZ-CG 4.21Å; F82-M99 WeakPolarHBondContact CZ-O 3.24Å; F82-M99 VanDerWaalsContact O-CE 3.22Å; F82-M99 WeakPolarHBondContact O-CE 3.46Å; F82-V101 HydrophobicContact CD2-CG2 3.83Å; F82-V101 HydrophobicContact CE2-CG2 4.13Å; F82-I177 HydrophobicContact CB-CG2 4.11Å; F82-I177 HydrophobicContact CD1-CG2 3.82Å; F82-I177 HydrophobicContact CD2-CG2 3.39Å; F82-I177 HydrophobicContact CE1-CD1 4.08Å; F82-I177 HydrophobicContact CE1-CG2 4.04Å; F82-I177 HydrophobicContact CE2-CG2 3.64Å; F82-I177 HydrophobicContact CG-CG2 3.49Å; F82-I177 VanDerWaalsContact CG-CG2 3.49Å; F82-I177 HydrophobicContact CZ-CD1 4.27Å; F82-I177 HydrophobicContact CZ-CG2 3.96Å; F82-L181 HydrophobicContact CB-CD2 4.18Å; F82-L181 HydrophobicContact CD1-CD2 4.08Å; F82-L181 HydrophobicContact CG-CD2 4.45Å; F82-L185 HydrophobicContact CD1-CD1 3.68Å; F82-L185 HydrophobicContact CE1-CD1 3.63Å
83E92.9Very high91Very high84 Ų8457.6 Ų57.639%0.39327%0.27SS..Hα-helixtrans-64.2-44.1177.1-175.4170.8-172.300112.2D79 E80 F86 T87 L181 L185D79-E83 WeakPolarHBondContact O-CB 3.32Å; D79-E83 PolarHBondContact O-N 3.05Å; E80-E83 PolarHBondContact O-N 2.99Å; E83-F86 PolarHBondContact O-N 3.42Å; E83-T87 VanDerWaalsContact O-CB 3.25Å; E83-T87 WeakPolarHBondContact O-CB 3.39Å; E83-T87 PolarHBondContact O-N 2.89Å; E83-T87 PolarHBondContact O-OG1 3.2Å; E83-L181 HydrophobicContact CB-CD1 4.06Å; E83-L181 HydrophobicContact CG-CD1 4.36Å; E83-L185 HydrophobicContact CG-CD2 4.43Å
84E92.2Very high91.4Very high108 Ų10854 Ų5451%0.50526%0.257SS..Hα-helixtrans-59.8-52.5178.9-175.4-179.6175.700110.8E80 F81 F86 T87 E88E80-E84 WeakPolarHBondContact O-CB 3.4Å; E80-E84 PolarHBondContact O-N 2.92Å; F81-E84 PolarHBondContact O-N 3.35Å; E84-F86 PolarHBondContact O-N 3.26Å; E84-T87 PolarHBondContact O-N 2.88Å; E84-E88 VanDerWaalsContact O-CB 3.24Å; E84-E88 WeakPolarHBondContact O-CB 3.46Å; E84-E88 PolarHBondContact O-N 3.27Å
85V92.6Very high91.9Very high5 Ų556.6 Ų56.63%0.0327%0.269CS..Hα-helixtrans-63.6-44.4179.21780000110.6F81 T87 E88 M89 M99 V113F81-V85 HydrophobicContact CD2-CG2 4.18Å; F81-V85 HydrophobicContact CE1-CG2 4.29Å; F81-V85 HydrophobicContact CE2-CG2 3.73Å; F81-V85 HydrophobicContact CZ-CG2 3.79Å; F81-V85 WeakPolarHBondContact O-CG2 3.49Å; F81-V85 PolarHBondContact O-N 3.28Å; F81-V85 VanDerWaalsContact O-N 3.07Å; V85-T87 PolarHBondContact O-N 3.41Å; V85-E88 PolarHBondContact O-N 2.86Å; V85-M89 HydrophobicContact CG1-CE 4.09Å; V85-M89 HydrophobicContact CG1-CG 4.27Å; V85-M89 WeakPolarHBondContact O-CB 3.22Å; V85-M89 WeakPolarHBondContact O-CG 3.38Å; V85-M89 PolarHBondContact O-N 3.29Å; V85-M99 HydrophobicContact CB-CE 4.22Å; V85-M99 HydrophobicContact CB-SD 4.33Å; V85-M99 HydrophobicContact CG1-CE 4.28Å; V85-M99 HydrophobicContact CG1-SD 3.77Å; V85-V113 HydrophobicContact CG1-CG1 4.46Å
86F93.6Very high92.3Very high2 Ų253.7 Ų53.71%0.00926%0.255CS..Hα-helixtrans-62.2-47.5-178.8-173-88000112F82 E83 E84 M89 E90 V96 M99 L185 Y186F82-F86 HydrophobicContact CD1-CB 4.45Å; F82-F86 HydrophobicContact CE1-CB 4.44Å; F82-F86 HydrophobicContact CE1-CD2 4.26Å; F82-F86 WeakPolarHBondContact O-CB 3.42Å; F82-F86 PolarHBondContact O-N 3Å; E83-F86 PolarHBondContact O-N 3.42Å; E84-F86 PolarHBondContact O-N 3.26Å; F86-M89 PolarHBondContact O-N 2.85Å; F86-E90 HydrophobicContact CD1-CG 4.3Å; F86-E90 HydrophobicContact CE1-CG 3.82Å; F86-E90 VanDerWaalsContact CE1-OE2 3.3Å; F86-E90 WeakPolarHBondContact CE1-OE2 3.37Å; F86-E90 HydrophobicContact CZ-CG 4.14Å; F86-E90 PolarHBondContact O-N 3.03Å; F86-V96 HydrophobicContact CD2-CG1 4.11Å; F86-V96 HydrophobicContact CE2-CB 3.91Å; F86-V96 HydrophobicContact CE2-CG1 3.63Å; F86-V96 HydrophobicContact CZ-CB 4.19Å; F86-V96 HydrophobicContact CZ-CG1 4.38Å; F86-M99 HydrophobicContact CB-CE 3.75Å; F86-M99 HydrophobicContact CB-SD 4.2Å; F86-M99 HydrophobicContact CD2-CB 4.06Å; F86-M99 HydrophobicContact CD2-CE 4.32Å; F86-M99 HydrophobicContact CD2-SD 4.29Å; F86-L185 HydrophobicContact CB-CD1 4.28Å; F86-L185 HydrophobicContact CD1-CB 4.39Å; F86-L185 HydrophobicContact CD1-CD1 4.18Å; F86-L185 HydrophobicContact CD1-CD2 3.81Å; F86-L185 HydrophobicContact CD1-CG 4.35Å; F86-L185 HydrophobicContact CE1-CB 4.16Å; F86-L185 HydrophobicContact CE1-CD2 4.23Å; F86-L185 HydrophobicContact CG-CD1 4.08Å; F86-L185 HydrophobicContact CG-CD2 4.47Å; F86-L185 HydrophobicContact CZ-CB 4.47Å; F86-Y186 HydrophobicContact CE2-CE1 4.09Å; F86-Y186 HydrophobicContact CE2-CE2 4.46Å; F86-Y186 AromaticContact CE2-CZ 3.8Å; F86-Y186 HydrophobicContact CZ-CE1 4.32Å
87T92.1Very high92.5Very high47 Ų4751.9 Ų51.929%0.28825%0.247SC..Hα-helixtrans-64.9-43.7-179.1-56.80000110.6E83 E84 V85 M89 E90 E91E83-T87 VanDerWaalsContact O-CB 3.25Å; E83-T87 WeakPolarHBondContact O-CB 3.39Å; E83-T87 PolarHBondContact O-N 2.89Å; E83-T87 PolarHBondContact O-OG1 3.2Å; E84-T87 PolarHBondContact O-N 2.88Å; V85-T87 PolarHBondContact O-N 3.41Å; T87-M89 VanDerWaalsContact C-N 3.32Å; T87-M89 PolarHBondContact O-N 3.05Å; T87-E90 PolarHBondContact O-N 3.49Å; T87-E91 HydrophobicContact CG2-CG 4.13Å; T87-E91 WeakPolarHBondContact O-CB 3.36Å; T87-E91 WeakPolarHBondContact O-CG 3.41Å; T87-E91 PolarHBondContact O-N 3.13Å
88E92.9Very high92.7Very high36 Ų3650.6 Ų50.617%0.16824%0.241CC..Hα-helixtrans-60.4-41.7177176.1154.9-141.200112.3E84 V85 K92 R133E84-E88 VanDerWaalsContact O-CB 3.24Å; E84-E88 WeakPolarHBondContact O-CB 3.46Å; E84-E88 PolarHBondContact O-N 3.27Å; V85-E88 PolarHBondContact O-N 2.86Å; E88-K92 HydrophobicContact CG-CD 4.05Å; E88-K92 WeakPolarHBondContact O-CB 3.37Å; E88-K92 PolarHBondContact O-N 2.88Å; E88-K92 VanDerWaalsContact O-N 3.08Å; E88-K92 WeakPolarHBondContact OE1-CE 3.43Å; E88-K92 IonicContact OE1-NZ 3.87Å; E88-K92 PolarHBondContact OE1-NZ 3.33Å; E88-R133 IonicContact OE1-CZ 3.85Å; E88-R133 IonicContact OE1-NH1 3.72Å; E88-R133 PolarHBondContact OE1-NH1 3.03Å; E88-R133 IonicContact OE1-NH2 3.08Å; E88-R133 PolarHBondContact OE1-NH2 3.36Å; E88-R133 IonicContact OE2-NH2 2.78Å
89M93.8Very high92.9Very high4 Ų450.7 Ų50.72%0.0224%0.242CC..Hα-helixtrans-67-42.3178.2-64.3-67.9153.500112I46 I48 V85 F86 T87 Y93 G94 V96 V115 F117 L130I46-M89 HydrophobicContact CD1-SD 4.36Å; I48-M89 HydrophobicContact CD1-CE 3.52Å; I48-M89 HydrophobicContact CD1-SD 4.48Å; V85-M89 HydrophobicContact CG1-CE 4.09Å; V85-M89 HydrophobicContact CG1-CG 4.27Å; V85-M89 WeakPolarHBondContact O-CB 3.22Å; V85-M89 WeakPolarHBondContact O-CG 3.38Å; V85-M89 PolarHBondContact O-N 3.29Å; F86-M89 PolarHBondContact O-N 2.85Å; T87-M89 VanDerWaalsContact C-N 3.32Å; T87-M89 PolarHBondContact O-N 3.05Å; M89-Y93 HydrophobicContact CE-CE2 4.38Å; M89-Y93 PolarHBondContact O-N 3.42Å; M89-Y93 HydrophobicContact SD-CD2 3.71Å; M89-Y93 HydrophobicContact SD-CE2 3.62Å; M89-G94 PolarHBondContact O-N 2.93Å; M89-V96 HydrophobicContact CB-CG2 3.77Å; M89-V115 HydrophobicContact CB-CG1 4.36Å; M89-V115 HydrophobicContact CG-CG1 4.31Å; M89-V115 HydrophobicContact CG-CG2 4.33Å; M89-F117 HydrophobicContact CB-CE1 4.25Å; M89-F117 HydrophobicContact CB-CZ 4.23Å; M89-F117 HydrophobicContact SD-CZ 4.19Å; M89-L130 HydrophobicContact CE-CD1 3.78Å; M89-L130 HydrophobicContact CE-CD2 3.83Å; M89-L130 HydrophobicContact CE-CG 4.43Å; M89-L130 HydrophobicContact SD-CD1 4.07Å
90E92.7Very high93Very high70 Ų7050.6 Ų50.633%0.32724%0.241SC..Hα-helixtrans-68.2-39.2178.1-80.4-155.8141.400113.2F86 T87 G94 V96 R189F86-E90 HydrophobicContact CD1-CG 4.3Å; F86-E90 HydrophobicContact CE1-CG 3.82Å; F86-E90 VanDerWaalsContact CE1-OE2 3.3Å; F86-E90 WeakPolarHBondContact CE1-OE2 3.37Å; F86-E90 HydrophobicContact CZ-CG 4.14Å; F86-E90 PolarHBondContact O-N 3.03Å; T87-E90 PolarHBondContact O-N 3.49Å; E90-G94 WeakPolarHBondContact CA-O 3.45Å; E90-V96 HydrophobicContact CG-CB 3.88Å; E90-V96 HydrophobicContact CG-CG2 3.7Å; E90-R189 IonicContact OE1-CZ 2.62Å; E90-R189 IonicContact OE1-NE 2.76Å; E90-R189 IonicContact OE1-NH2 2.7Å; E90-R189 PolarHBondContact OE1-NH2 3.4Å
91E91.5Very high93.2Very high161 Ų16145.1 Ų45.175%0.75222%0.215SC*.Hα-helixtrans-77.9-38.7-176.2-71.7-172.7168.300113.1T87T87-E91 HydrophobicContact CG2-CG 4.13Å; T87-E91 WeakPolarHBondContact O-CB 3.36Å; T87-E91 WeakPolarHBondContact O-CG 3.41Å; T87-E91 PolarHBondContact O-N 3.13Å
92K92.6Very high93.3Very high119 Ų11944.1 Ų44.152%0.51721%0.211SC..Hα-helixtrans-89.3-36.1-175-68.8-173.4175.9172.20114.2E88E88-K92 HydrophobicContact CG-CD 4.05Å; E88-K92 WeakPolarHBondContact O-CB 3.37Å; E88-K92 PolarHBondContact O-N 2.88Å; E88-K92 VanDerWaalsContact O-N 3.08Å; E88-K92 WeakPolarHBondContact OE1-CE 3.43Å; E88-K92 IonicContact OE1-NZ 3.87Å; E88-K92 PolarHBondContact OE1-NZ 3.33Å
93Y94.6Very high93.2Very high26 Ų2645.8 Ų45.810%0.10222%0.22CC..THydrogen-bonded Turntrans-113.5-56.4-169.2-49.3-60000112.5M89 F117 A126 D129 L130M89-Y93 HydrophobicContact CE-CE2 4.38Å; M89-Y93 PolarHBondContact O-N 3.42Å; M89-Y93 HydrophobicContact SD-CD2 3.71Å; M89-Y93 HydrophobicContact SD-CE2 3.62Å; Y93-F117 HydrophobicContact CD2-CZ 4.32Å; Y93-A126 HydrophobicContact CD1-CB 3.91Å; Y93-A126 HydrophobicContact CD2-CB 3.61Å; Y93-A126 HydrophobicContact CE1-CB 4.25Å; Y93-A126 HydrophobicContact CE2-CB 3.96Å; Y93-A126 HydrophobicContact CG-CB 3.57Å; Y93-D129 HydrophobicContact CE1-CB 3.73Å; Y93-D129 PolarHBondContact OH-OD2 3.03Å; Y93-L130 HydrophobicContact CE2-CD1 4.38Å; Y93-L130 HydrophobicContact CE2-CD2 4.24Å; Y93-L130 HydrophobicContact CE2-CG 4.2Å; Y93-L130 WeakPolarHBondContact OH-CD2 3.45Å; Y93-L130 WeakPolarHBondContact OH-CG 3.35Å
94G92.6Very high93.2Very high12 Ų1241.9 Ų41.912%0.12420%0.202CC..  trans166.8-178.8-177.800000115M89 E90 V96M89-G94 PolarHBondContact O-N 2.93Å; E90-G94 WeakPolarHBondContact CA-O 3.45Å; G94-V96 PolarHBondContact O-N 3.25Å
95E93.4Very high93Very high71 Ų7141.3 Ų41.333%0.33220%0.202SC..  trans-63.1115.9-173.8-173.7-178.6163.800111.9F117 R118 R189E95-F117 WeakPolarHBondContact O-CA 3.36Å; E95-R118 HydrophobicContact CB-CB 4.09Å; E95-R118 HydrophobicContact CG-CB 4.4Å; E95-R118 PolarHBondContact O-N 3.05Å; E95-R118 WeakPolarHBondContact OE2-CD 3.3Å; E95-R118 IonicContact OE2-NE 3.99Å; E95-R189 IonicContact OE1-CZ 3.98Å; E95-R189 IonicContact OE1-NE 3.62Å; E95-R189 PolarHBondContact OE1-NE 3.39Å; E95-R189 IonicContact OE1-NH1 2.71Å; E95-R189 PolarHBondContact OE1-NH1 3.13Å; E95-R189 IonicContact OE1-NH2 3.08Å
96V94.3Very high92.8Very high0 Ų041.5 Ų41.50%020%0.204CC..EExtended strand (participates in β ladder)trans-86.1112.4-179.4176.20000111F86 M89 E90 G94 M99 V115 K116 F117 R189F86-V96 HydrophobicContact CD2-CG1 4.11Å; F86-V96 HydrophobicContact CE2-CB 3.91Å; F86-V96 HydrophobicContact CE2-CG1 3.63Å; F86-V96 HydrophobicContact CZ-CB 4.19Å; F86-V96 HydrophobicContact CZ-CG1 4.38Å; M89-V96 HydrophobicContact CB-CG2 3.77Å; E90-V96 HydrophobicContact CG-CB 3.88Å; E90-V96 HydrophobicContact CG-CG2 3.7Å; G94-V96 PolarHBondContact O-N 3.25Å; V96-M99 HydrophobicContact CG1-CB 4.19Å; V96-V115 HydrophobicContact CB-CG1 4.4Å; V96-V115 HydrophobicContact CG1-CG1 3.69Å; V96-V115 HydrophobicContact CG2-CG1 3.82Å; V96-K116 CarbonylContact C-O 3.48Å; V96-F117 HydrophobicContact CG2-CD1 4.04Å; V96-F117 HydrophobicContact CG2-CE1 3.77Å; V96-R189 VanDerWaalsContact O-CZ 3.27Å; V96-R189 PolarHBondContact O-NH1 2.88Å; V96-R189 PolarHBondContact O-NH2 2.79Å
97E92.5Very high92.5Very high73 Ų7348.8 Ų48.834%0.34124%0.244SC..EExtended strand (participates in β ladder)trans-70.2-43.1176.4-65.9-162.6155.200112.8K116 R118E97-K116 HydrophobicContact CB-CG 4.46Å; E97-K116 PolarHBondContact N-O 3.08Å; E97-R118 HydrophobicContact CG-CB 4.05Å; E97-R118 IonicContact OE1-NH1 2.7Å
98E92.6Very high92.5Very high76 Ų7648.1 Ų48.136%0.35524%0.237SC..EExtended strand (participates in β ladder)trans-154.4137.9-175.7-166.6173.8167.100110.1N100 K116 F150E98-N100 PolarHBondContact OE1-ND2 3.41Å; E98-K116 HydrophobicContact CB-CB 4.39Å; E98-K116 PolarHBondContact N-O 3.46Å; E98-K116 PolarHBondContact O-N 3.39Å; E98-F150 HydrophobicContact CB-CE2 4.32Å; E98-F150 HydrophobicContact CG-CD2 4.22Å; E98-F150 HydrophobicContact CG-CE2 4.3Å
99M94.4Very high92.5Very high3 Ų346.4 Ų46.42%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-130.9132.5174.1-175.9171.991.400110.2F82 V85 F86 V96 V113 Y114 V115 Y186F82-M99 HydrophobicContact CB-CE 4.37Å; F82-M99 HydrophobicContact CD1-CE 3.55Å; F82-M99 HydrophobicContact CD2-CE 3.46Å; F82-M99 VanDerWaalsContact CD2-CE 3.46Å; F82-M99 HydrophobicContact CE1-CE 3.53Å; F82-M99 HydrophobicContact CE2-CB 4.44Å; F82-M99 HydrophobicContact CE2-CE 3.44Å; F82-M99 VanDerWaalsContact CE2-CE 3.44Å; F82-M99 HydrophobicContact CE2-CG 4.23Å; F82-M99 HydrophobicContact CG-CE 3.52Å; F82-M99 HydrophobicContact CZ-CB 3.99Å; F82-M99 HydrophobicContact CZ-CE 3.48Å; F82-M99 VanDerWaalsContact CZ-CE 3.48Å; F82-M99 HydrophobicContact CZ-CG 4.21Å; F82-M99 WeakPolarHBondContact CZ-O 3.24Å; F82-M99 VanDerWaalsContact O-CE 3.22Å; F82-M99 WeakPolarHBondContact O-CE 3.46Å; V85-M99 HydrophobicContact CB-CE 4.22Å; V85-M99 HydrophobicContact CB-SD 4.33Å; V85-M99 HydrophobicContact CG1-CE 4.28Å; V85-M99 HydrophobicContact CG1-SD 3.77Å; F86-M99 HydrophobicContact CB-CE 3.75Å; F86-M99 HydrophobicContact CB-SD 4.2Å; F86-M99 HydrophobicContact CD2-CB 4.06Å; F86-M99 HydrophobicContact CD2-CE 4.32Å; F86-M99 HydrophobicContact CD2-SD 4.29Å; V96-M99 HydrophobicContact CG1-CB 4.19Å; M99-V113 HydrophobicContact CG-CG1 4.15Å; M99-V113 HydrophobicContact SD-CG1 4.3Å; M99-Y114 CarbonylContact C-O 3.51Å; M99-Y114 WeakPolarHBondContact CA-O 3.33Å; M99-V115 HydrophobicContact CG-CG2 4.03Å; M99-V115 HydrophobicContact SD-CG2 4.07Å; M99-Y186 PolarHBondContact N-OH 2.99Å; M99-Y186 VanDerWaalsContact N-OH 3.16Å
100N95.2Very high92.4Very high23 Ų2347.6 Ų47.612%0.12324%0.237CC..EExtended strand (participates in β ladder)trans-136.5133.3-173.1-74.9-44.2000110.7E98 V113 Y114 F150 L174E98-N100 PolarHBondContact OE1-ND2 3.41Å; N100-V113 WeakPolarHBondContact O-CA 3.12Å; N100-Y114 PolarHBondContact N-O 3.26Å; N100-Y114 PolarHBondContact O-N 3.28Å; N100-F150 VanDerWaalsContact ND2-CD2 3.31Å; N100-F150 WeakPolarHBondContact ND2-CD2 3.17Å; N100-F150 VanDerWaalsContact ND2-CG 3.27Å; N100-F150 WeakPolarHBondContact ND2-CG 3.24Å; N100-L174 HydrophobicContact CB-CD1 4.11Å; N100-L174 HydrophobicContact CB-CD2 3.86Å
101V95.2Very high92.4Very high1 Ų144.3 Ų44.31%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-113.5131.8179.2-1740000109.8Y52 Y78 F81 F82 V113 L174 K175Y52-V101 HydrophobicContact CD1-CG1 3.72Å; Y52-V101 HydrophobicContact CG-CG1 3.7Å; Y78-V101 HydrophobicContact CE2-CB 4.02Å; Y78-V101 HydrophobicContact CE2-CG1 4.1Å; Y78-V101 HydrophobicContact CE2-CG2 4.1Å; Y78-V101 WeakPolarHBondContact OH-CB 3.39Å; F81-V101 HydrophobicContact CE1-CG1 4.46Å; F81-V101 HydrophobicContact CE1-CG2 4.26Å; F82-V101 HydrophobicContact CD2-CG2 3.83Å; F82-V101 HydrophobicContact CE2-CG2 4.13Å; V101-V113 HydrophobicContact CB-CG2 4.44Å; V101-V113 HydrophobicContact CG1-CG2 4.04Å; V101-V113 HydrophobicContact CG2-CG1 4.39Å; V101-V113 HydrophobicContact CG2-CG2 4.03Å; V101-L174 WeakPolarHBondContact O-CA 3.3Å; V101-K175 PolarHBondContact O-N 3.46Å
102C94.1Very high92.5Very high0 Ų037 Ų370%019%0.188CC..BIsolated β-bridgetrans-90.6126.4178.8-66.40000111.9L109 G111 N112 Y114 H173C102-L109 WeakPolarHBondContact CB-O 3.4Å; C102-G111 PolarHBondContact O-N 3.32Å; C102-N112 HydrophobicContact CB-CB 4.28Å; C102-N112 WeakPolarHBondContact CB-O 3.43Å; C102-N112 PolarHBondContact N-O 2.81Å; C102-Y114 VanDerWaalsContact SG-CE2 3.58Å; C102-H173 CarbonylContact C-O 3.6Å; C102-H173 WeakPolarHBondContact CA-O 3.49Å
103D91.6Very high92.7Very high40 Ų4031.3 Ų31.321%0.21416%0.163CC..  trans-104.632.3171.1-164.848.8000110.6N54 H173 K175N54-D103 PolarHBondContact ND2-OD1 2.87Å; D103-H173 PolarHBondContact N-O 3.19Å; D103-K175 HydrophobicContact CB-CB 4.07Å; D103-K175 HydrophobicContact CB-CD 4.47Å
104N92.6Very high92.8Very high3 Ų330.1 Ų30.12%0.01616%0.158CC..  trans-67.5150.9171.8-7286.4000110.2L109 V110 F171 H173N104-L109 HydrophobicContact CB-CB 3.48Å; N104-L109 VanDerWaalsContact CB-CB 3.48Å; N104-V110 VanDerWaalsContact O-CA 3.28Å; N104-V110 WeakPolarHBondContact O-CA 3.44Å; N104-V110 VanDerWaalsContact O-CB 3.26Å; N104-V110 WeakPolarHBondContact O-CB 3.03Å; N104-V110 VanDerWaalsContact O-CG2 3.3Å; N104-V110 WeakPolarHBondContact O-CG2 3.31Å; N104-F171 PolarHBondContact ND2-O 3.03Å; N104-H173 PolarHBondContact OD1-N 3.34Å
105L88.3Confident93Very high96 Ų9629.5 Ų29.550%0.50315%0.152SC..  trans-92.7-11.9172.9-60.7175.7000113.2
106G88.8Confident93.2Very high8 Ų827.9 Ų27.98%0.08214%0.144CC..SBendtrans-82.5137.4-177.800000111.7H108 L109 V110 G167G106-H108 PolarHBondContact O-N 3.49Å; G106-L109 PolarHBondContact O-N 3.41Å; G106-V110 WeakPolarHBondContact O-CB 3.28Å; G106-V110 PolarHBondContact O-N 2.93Å; G106-G167 WeakPolarHBondContact CA-O 3.37Å
107D87.8Confident93.2Very high155 Ų15527.9 Ų27.983%0.82914%0.144SC*.THydrogen-bonded Turntrans-52.2-28.2-174.2-57.8-15.2000115.2
108H91.1Very high93.3Very high33 Ų3330.7 Ų30.715%0.15315%0.152CC..THydrogen-bonded Turntrans-82.3-13.8-178.764-70.6000114A26 G106 N112A26-H108 VanDerWaalsContact CB-O 3.24Å; A26-H108 WeakPolarHBondContact CB-O 3.24Å; G106-H108 PolarHBondContact O-N 3.49Å; H108-N112 PolarHBondContact O-ND2 2.79Å
109L92.6Very high93.4Very high0 Ų034.3 Ų34.30%016%0.162CC..THydrogen-bonded Turntrans-129.6-17.4-176.9-73.3173.1000114.1I24 A26 C102 N104 G106 G111 N112I24-L109 HydrophobicContact CG2-CD1 4.43Å; I24-L109 HydrophobicContact CG2-CD2 3.75Å; A26-L109 HydrophobicContact CB-CD2 3.79Å; A26-L109 HydrophobicContact CB-CG 4.49Å; C102-L109 WeakPolarHBondContact CB-O 3.4Å; N104-L109 HydrophobicContact CB-CB 3.48Å; N104-L109 VanDerWaalsContact CB-CB 3.48Å; G106-L109 PolarHBondContact O-N 3.41Å; L109-G111 PolarHBondContact O-N 2.97Å; L109-N112 WeakPolarHBondContact O-CB 3.38Å; L109-N112 PolarHBondContact O-N 3.45Å
110V92.6Very high93.4Very high29 Ų2937.8 Ų37.818%0.17618%0.178CC..THydrogen-bonded Turntrans-57.1126.6-177.961.50000111N104 G106 N112N104-V110 VanDerWaalsContact O-CA 3.28Å; N104-V110 WeakPolarHBondContact O-CA 3.44Å; N104-V110 VanDerWaalsContact O-CB 3.26Å; N104-V110 WeakPolarHBondContact O-CB 3.03Å; N104-V110 VanDerWaalsContact O-CG2 3.3Å; N104-V110 WeakPolarHBondContact O-CG2 3.31Å; G106-V110 WeakPolarHBondContact O-CB 3.28Å; G106-V110 PolarHBondContact O-N 2.93Å; V110-N112 PolarHBondContact O-N 3.04Å; V110-N112 VanDerWaalsContact O-N 3.08Å; V110-N112 PolarHBondContact O-OD1 3.38Å
111G91.4Very high93.4Very high2 Ų242.3 Ų42.32%0.02120%0.199CC..THydrogen-bonded Turntrans67.99174.900000115.4I51 Y52 C102 L109I51-G111 PolarHBondContact N-O 3.1Å; Y52-G111 PolarHBondContact N-O 3.43Å; Y52-G111 WeakPolarHBondContact O-CA 3.27Å; C102-G111 PolarHBondContact O-N 3.32Å; L109-G111 PolarHBondContact O-N 2.97Å
112N95.4Very high93.5Very high7 Ų743.1 Ų43.14%0.03720%0.203CC..  trans-71.1133179.3-76.40.1000110.9L47 I48 Q49 N50 C102 H108 L109 V110 Y114L47-N112 HydrophobicContact CD1-CB 3.62Å; I48-N112 WeakPolarHBondContact O-CA 3.5Å; Q49-N112 WeakPolarHBondContact CA-OD1 3.13Å; N50-N112 PolarHBondContact N-OD1 2.93Å; N50-N112 VanDerWaalsContact N-OD1 3.08Å; C102-N112 HydrophobicContact CB-CB 4.28Å; C102-N112 WeakPolarHBondContact CB-O 3.43Å; C102-N112 PolarHBondContact N-O 2.81Å; H108-N112 PolarHBondContact O-ND2 2.79Å; L109-N112 WeakPolarHBondContact O-CB 3.38Å; L109-N112 PolarHBondContact O-N 3.45Å; V110-N112 PolarHBondContact O-N 3.04Å; V110-N112 VanDerWaalsContact O-N 3.08Å; V110-N112 PolarHBondContact O-OD1 3.38Å; N112-Y114 HydrophobicContact CB-CE2 3.93Å
113V96.2Very high93.6Very high0 Ų043.1 Ų43.10%020%0.203CC..EExtended strand (participates in β ladder)trans-113.1124.1175179.80000108.8I48 I51 F81 V85 M99 N100 V101 V115I48-V113 HydrophobicContact CB-CB 4.37Å; I48-V113 PolarHBondContact N-O 3.33Å; I48-V113 PolarHBondContact O-N 3.02Å; I51-V113 HydrophobicContact CG2-CB 3.87Å; I51-V113 HydrophobicContact CG2-CG2 3.29Å; F81-V113 HydrophobicContact CE1-CG2 4.27Å; F81-V113 HydrophobicContact CZ-CG2 4.14Å; V85-V113 HydrophobicContact CG1-CG1 4.46Å; M99-V113 HydrophobicContact CG-CG1 4.15Å; M99-V113 HydrophobicContact SD-CG1 4.3Å; N100-V113 WeakPolarHBondContact O-CA 3.12Å; V101-V113 HydrophobicContact CB-CG2 4.44Å; V101-V113 HydrophobicContact CG1-CG2 4.04Å; V101-V113 HydrophobicContact CG2-CG1 4.39Å; V101-V113 HydrophobicContact CG2-CG2 4.03Å; V113-V115 HydrophobicContact CG1-CG2 4.06Å
114Y96.9Very high93.7Very high0 Ų046 Ų460%022%0.215CC..EExtended strand (participates in β ladder)trans-104.4128.6174.5-63.4-93.4000109.1I24 T45 I46 L47 M99 N100 C102 N112 V147 F150 M172I24-Y114 WeakPolarHBondContact O-CE1 3.19Å; I24-Y114 PolarHBondContact O-OH 2.97Å; T45-Y114 HydrophobicContact CG2-CD1 4.5Å; I46-Y114 WeakPolarHBondContact O-CA 3.37Å; L47-Y114 HydrophobicContact CB-CD1 4.21Å; L47-Y114 HydrophobicContact CB-CE1 4.04Å; L47-Y114 HydrophobicContact CD1-CD1 4.17Å; L47-Y114 HydrophobicContact CD1-CD2 4.47Å; L47-Y114 HydrophobicContact CD1-CE1 3.73Å; L47-Y114 HydrophobicContact CD1-CE2 4.05Å; L47-Y114 HydrophobicContact CD2-CE1 4.24Å; L47-Y114 HydrophobicContact CG-CE1 4.21Å; M99-Y114 CarbonylContact C-O 3.51Å; M99-Y114 WeakPolarHBondContact CA-O 3.33Å; N100-Y114 PolarHBondContact N-O 3.26Å; N100-Y114 PolarHBondContact O-N 3.28Å; C102-Y114 VanDerWaalsContact SG-CE2 3.58Å; N112-Y114 HydrophobicContact CB-CE2 3.93Å; Y114-V147 HydrophobicContact CE1-CG2 4.25Å; Y114-F150 VanDerWaalsContact CB-CE1 3.43Å; Y114-F150 HydrophobicContact CD1-CE1 4.19Å; Y114-F150 AromaticContact CG-CE1 3.83Å; Y114-F150 HydrophobicContact CG-CE1 3.83Å; Y114-F150 HydrophobicContact CG-CZ 4.48Å; Y114-M172 HydrophobicContact CD1-CE 4.04Å; Y114-M172 HydrophobicContact CD2-CE 3.9Å; Y114-M172 HydrophobicContact CD2-SD 4.07Å; Y114-M172 HydrophobicContact CE1-CE 3.55Å; Y114-M172 HydrophobicContact CE2-CE 3.42Å; Y114-M172 VanDerWaalsContact CE2-CE 3.42Å; Y114-M172 HydrophobicContact CE2-SD 3.88Å; Y114-M172 HydrophobicContact CG-CE 4.19Å
115V96.6Very high93.9Very high0 Ų051.1 Ų51.10%024%0.237CC..EExtended strand (participates in β ladder)trans-124120.1176.9-170.60000107.6T45 I46 I48 M89 V96 M99 V113 F117T45-V115 CarbonylContact C-O 3.57Å; T45-V115 WeakPolarHBondContact CA-O 3.41Å; I46-V115 HydrophobicContact CD1-CB 4.17Å; I46-V115 HydrophobicContact CD1-CG2 4.37Å; I46-V115 HydrophobicContact CG1-CB 3.73Å; I46-V115 HydrophobicContact CG1-CG2 4.25Å; I46-V115 PolarHBondContact N-O 3.25Å; I46-V115 PolarHBondContact O-N 3.31Å; I48-V115 HydrophobicContact CD1-CG2 4.49Å; M89-V115 HydrophobicContact CB-CG1 4.36Å; M89-V115 HydrophobicContact CG-CG1 4.31Å; M89-V115 HydrophobicContact CG-CG2 4.33Å; V96-V115 HydrophobicContact CB-CG1 4.4Å; V96-V115 HydrophobicContact CG1-CG1 3.69Å; V96-V115 HydrophobicContact CG2-CG1 3.82Å; M99-V115 HydrophobicContact CG-CG2 4.03Å; M99-V115 HydrophobicContact SD-CG2 4.07Å; V113-V115 HydrophobicContact CG1-CG2 4.06Å; V115-F117 HydrophobicContact CB-CE2 4.31Å; V115-F117 HydrophobicContact CG1-CD2 4.45Å; V115-F117 HydrophobicContact CG1-CE1 4.27Å; V115-F117 HydrophobicContact CG1-CE2 3.95Å; V115-F117 HydrophobicContact CG1-CZ 3.85Å
116K96.2Very high94.2Very high36 Ų3646.6 Ų46.616%0.15721%0.214CC..EExtended strand (participates in β ladder)trans-102.1116.9174.8-177.5174.8177.6175.20109.2Q44 T45 V96 E97 E98 T148 F150Q44-K116 HydrophobicContact CB-CG 4.36Å; T45-K116 HydrophobicContact CG2-CB 4.46Å; V96-K116 CarbonylContact C-O 3.48Å; E97-K116 HydrophobicContact CB-CG 4.46Å; E97-K116 PolarHBondContact N-O 3.08Å; E98-K116 HydrophobicContact CB-CB 4.39Å; E98-K116 PolarHBondContact N-O 3.46Å; E98-K116 PolarHBondContact O-N 3.39Å; K116-T148 PolarHBondContact NZ-O 3.05Å; K116-F150 HydrophobicContact CB-CE2 4.04Å; K116-F150 HydrophobicContact CB-CZ 4.46Å; K116-F150 HydrophobicContact CD-CE2 4.35Å
117F96.1Very high94.5Very high0 Ų047.2 Ų47.20%022%0.216CC..EExtended strand (participates in β ladder)trans-88.1160.5175.2-66-81.9000111.5Q44 I46 M89 Y93 E95 V96 V115 R119 D122 A123 A126Q44-F117 PolarHBondContact O-N 3.43Å; I46-F117 HydrophobicContact CD1-CE2 3.78Å; I46-F117 HydrophobicContact CD1-CZ 4.33Å; I46-F117 HydrophobicContact CG1-CE2 3.89Å; I46-F117 HydrophobicContact CG2-CD2 4.37Å; I46-F117 HydrophobicContact CG2-CE2 4.08Å; M89-F117 HydrophobicContact CB-CE1 4.25Å; M89-F117 HydrophobicContact CB-CZ 4.23Å; M89-F117 HydrophobicContact SD-CZ 4.19Å; Y93-F117 HydrophobicContact CD2-CZ 4.32Å; E95-F117 WeakPolarHBondContact O-CA 3.36Å; V96-F117 HydrophobicContact CG2-CD1 4.04Å; V96-F117 HydrophobicContact CG2-CE1 3.77Å; V115-F117 HydrophobicContact CB-CE2 4.31Å; V115-F117 HydrophobicContact CG1-CD2 4.45Å; V115-F117 HydrophobicContact CG1-CE1 4.27Å; V115-F117 HydrophobicContact CG1-CE2 3.95Å; V115-F117 HydrophobicContact CG1-CZ 3.85Å; F117-R119 VanDerWaalsContact C-N 3.29Å; F117-R119 WeakPolarHBondContact CB-O 3.24Å; F117-D122 HydrophobicContact CB-CB 4.34Å; F117-D122 HydrophobicContact CD1-CB 4.24Å; F117-D122 HydrophobicContact CG-CB 4.3Å; F117-A123 HydrophobicContact CD2-CB 3.74Å; F117-A123 HydrophobicContact CE2-CB 4.4Å; F117-A126 HydrophobicContact CE2-CB 3.96Å; F117-A126 HydrophobicContact CZ-CB 3.93Å
118R94.1Very high94.8Very high133 Ų13345.9 Ų45.950%0.50221%0.206SC..SBendtrans-69.7-27.5172.7-176.8176.2175.777.16.7112.6E95 E97E95-R118 HydrophobicContact CB-CB 4.09Å; E95-R118 HydrophobicContact CG-CB 4.4Å; E95-R118 PolarHBondContact O-N 3.05Å; E95-R118 WeakPolarHBondContact OE2-CD 3.3Å; E95-R118 IonicContact OE2-NE 3.99Å; E97-R118 HydrophobicContact CG-CB 4.05Å; E97-R118 IonicContact OE1-NH1 2.7Å
119R94.4Very high95Very high151 Ų15147.7 Ų47.757%0.5722%0.217SC*.SBendtrans-128.3143.3-177.4-60-179.7174.3-165.9-1.2110.4F117 E121 D122F117-R119 VanDerWaalsContact C-N 3.29Å; F117-R119 WeakPolarHBondContact CB-O 3.24Å; R119-E121 VanDerWaalsContact C-N 3.35Å; R119-D122 PolarHBondContact O-N 3.11Å
120E94.6Very high95.1Very high77 Ų7747.8 Ų47.836%0.3622%0.218SC..Hα-helixtrans-69.1-34178.7-64.4172.1-170.600112F42 Q44 D122 A123 E124F42-E120 WeakPolarHBondContact CD2-OE2 3.49Å; Q44-E120 HydrophobicContact CB-CG 4.43Å; Q44-E120 HydrophobicContact CG-CG 3.41Å; Q44-E120 VanDerWaalsContact CG-CG 3.41Å; Q44-E120 PolarHBondContact NE2-OE1 3.08Å; E120-D122 VanDerWaalsContact C-N 3.26Å; E120-D122 PolarHBondContact O-N 2.85Å; E120-A123 WeakPolarHBondContact O-CB 3.44Å; E120-A123 PolarHBondContact O-N 3.25Å; E120-E124 PolarHBondContact O-N 2.55Å; E120-E124 VanDerWaalsContact O-N 3.09Å
121E95.4Very high95.2Very high117 Ų11749.7 Ų49.755%0.54723%0.227SC..Hα-helixtrans-61.2-34176.4-62.4174.6-165.800112.8R119 K125R119-E121 VanDerWaalsContact C-N 3.35Å; E121-K125 WeakPolarHBondContact O-CD 3.48Å; E121-K125 VanDerWaalsContact O-CG 3.28Å; E121-K125 WeakPolarHBondContact O-CG 3.44Å; E121-K125 PolarHBondContact O-N 3.02Å
122D96.1Very high95.3Very high19 Ų1955.8 Ų55.810%0.10226%0.259CS..Hα-helixtrans-73.8-36.7-179.1-59.9-19.9000110.1F117 R119 E120 A126F117-D122 HydrophobicContact CB-CB 4.34Å; F117-D122 HydrophobicContact CD1-CB 4.24Å; F117-D122 HydrophobicContact CG-CB 4.3Å; R119-D122 PolarHBondContact O-N 3.11Å; E120-D122 VanDerWaalsContact C-N 3.26Å; E120-D122 PolarHBondContact O-N 2.85Å; D122-A126 WeakPolarHBondContact O-CB 3.42Å; D122-A126 PolarHBondContact O-N 3.27Å
123A95.9Very high95.2Very high0 Ų058.2 Ų58.20%027%0.267CS..Hα-helixtrans-63.8-44.4174.300000112.2S43 I46 F117 E120 A126 V127 L144S43-A123 WeakPolarHBondContact O-CB 3.43Å; I46-A123 HydrophobicContact CG2-CB 3.62Å; F117-A123 HydrophobicContact CD2-CB 3.74Å; F117-A123 HydrophobicContact CE2-CB 4.4Å; E120-A123 WeakPolarHBondContact O-CB 3.44Å; E120-A123 PolarHBondContact O-N 3.25Å; A123-A126 PolarHBondContact O-N 2.98Å; A123-V127 WeakPolarHBondContact O-CG2 3.48Å; A123-V127 PolarHBondContact O-N 3.22Å; A123-L144 HydrophobicContact CB-CD2 4.15Å
124E95.3Very high94.9Very high100 Ų10066.9 Ų66.947%0.46730%0.3SS..Hα-helixtrans-62-46.5177.5-173.4178.2-162.600111.6E120 A126 V127 M128E120-E124 PolarHBondContact O-N 2.55Å; E120-E124 VanDerWaalsContact O-N 3.09Å; E124-A126 VanDerWaalsContact C-N 3.32Å; E124-A126 PolarHBondContact O-N 3.06Å; E124-V127 PolarHBondContact O-N 3.17Å; E124-M128 WeakPolarHBondContact O-CG 2.91Å; E124-M128 PolarHBondContact O-N 2.87Å
125K95.4Very high94.4Very high111 Ų11168.5 Ų68.548%0.48331%0.307SS..Hα-helixtrans-59.7-42.8175.2-70.3168.4-165.2159.70111.9E121 M128 D129E121-K125 WeakPolarHBondContact O-CD 3.48Å; E121-K125 VanDerWaalsContact O-CG 3.28Å; E121-K125 WeakPolarHBondContact O-CG 3.44Å; E121-K125 PolarHBondContact O-N 3.02Å; K125-M128 PolarHBondContact O-N 3.15Å; K125-D129 PolarHBondContact O-N 2.87Å
126A95.6Very high93.8Very high0 Ų074.1 Ų74.10%034%0.337CS..Hα-helixtrans-59.7-47.4177.700000111.5I46 Y93 F117 D122 A123 E124 M128 D129 L130I46-A126 HydrophobicContact CD1-CB 4.07Å; Y93-A126 HydrophobicContact CD1-CB 3.91Å; Y93-A126 HydrophobicContact CD2-CB 3.61Å; Y93-A126 HydrophobicContact CE1-CB 4.25Å; Y93-A126 HydrophobicContact CE2-CB 3.96Å; Y93-A126 HydrophobicContact CG-CB 3.57Å; F117-A126 HydrophobicContact CE2-CB 3.96Å; F117-A126 HydrophobicContact CZ-CB 3.93Å; D122-A126 WeakPolarHBondContact O-CB 3.42Å; D122-A126 PolarHBondContact O-N 3.27Å; A123-A126 PolarHBondContact O-N 2.98Å; E124-A126 VanDerWaalsContact C-N 3.32Å; E124-A126 PolarHBondContact O-N 3.06Å; A126-M128 VanDerWaalsContact C-N 3.34Å; A126-M128 PolarHBondContact O-N 3.35Å; A126-D129 PolarHBondContact O-N 3.06Å; A126-L130 HydrophobicContact CB-CD1 4.29Å; A126-L130 WeakPolarHBondContact O-CB 3.26Å; A126-L130 WeakPolarHBondContact O-CD1 3.42Å; A126-L130 WeakPolarHBondContact O-CG 3.38Å; A126-L130 PolarHBondContact O-N 3.4Å
127V95.5Very high93.3Very high22 Ų2276.7 Ų76.713%0.13337%0.365CS..Hα-helixtrans-61.4-42.6178.4171.10000111.7I46 A123 E124 N131 A142 L144I46-V127 HydrophobicContact CB-CG2 4.06Å; I46-V127 HydrophobicContact CG2-CG2 3.62Å; A123-V127 WeakPolarHBondContact O-CG2 3.48Å; A123-V127 PolarHBondContact O-N 3.22Å; E124-V127 PolarHBondContact O-N 3.17Å; V127-N131 PolarHBondContact O-N 2.97Å; V127-N131 PolarHBondContact O-ND2 2.68Å; V127-A142 HydrophobicContact CG2-CB 4.42Å; V127-L144 HydrophobicContact CG2-CD2 3.98Å; V127-L144 HydrophobicContact CG2-CG 4.27Å
128M94.2Very high92.8Very high126 Ų12680.1 Ų80.162%0.62138%0.381SS*.Hα-helixtrans-63.7-44.5179-73-175136.500112.5E124 K125 A126 N132E124-M128 WeakPolarHBondContact O-CG 2.91Å; E124-M128 PolarHBondContact O-N 2.87Å; K125-M128 PolarHBondContact O-N 3.15Å; A126-M128 VanDerWaalsContact C-N 3.34Å; A126-M128 PolarHBondContact O-N 3.35Å; M128-N132 PolarHBondContact O-ND2 2.97Å
129D95.1Very high92.8Very high71 Ų7176.8 Ų76.838%0.3838%0.377SS..Hα-helixtrans-73.6-46.5-179.6-17058000111.8Y93 K125 A126 N131 N132 R133Y93-D129 HydrophobicContact CE1-CB 3.73Å; Y93-D129 PolarHBondContact OH-OD2 3.03Å; K125-D129 PolarHBondContact O-N 2.87Å; A126-D129 PolarHBondContact O-N 3.06Å; D129-N131 VanDerWaalsContact C-N 3.32Å; D129-N131 PolarHBondContact O-N 3.4Å; D129-N132 PolarHBondContact O-N 2.76Å; D129-R133 WeakPolarHBondContact O-CG 3.07Å; D129-R133 VanDerWaalsContact OD2-CD 3.31Å; D129-R133 WeakPolarHBondContact OD2-CD 3.47Å; D129-R133 IonicContact OD2-NH1 3.77Å
130L94.7Very high92.7Very high3 Ų370.1 Ų70.12%0.01635%0.352CS..Hα-helixtrans-59.9-39.4-175.8-71.4169.5000112.6I46 I48 M89 Y93 A126 N132 R133 I140 A142I46-L130 HydrophobicContact CD1-CD1 3.89Å; I48-L130 HydrophobicContact CD1-CD1 3.84Å; I48-L130 HydrophobicContact CG1-CD1 4.24Å; M89-L130 HydrophobicContact CE-CD1 3.78Å; M89-L130 HydrophobicContact CE-CD2 3.83Å; M89-L130 HydrophobicContact CE-CG 4.43Å; M89-L130 HydrophobicContact SD-CD1 4.07Å; Y93-L130 HydrophobicContact CE2-CD1 4.38Å; Y93-L130 HydrophobicContact CE2-CD2 4.24Å; Y93-L130 HydrophobicContact CE2-CG 4.2Å; Y93-L130 WeakPolarHBondContact OH-CD2 3.45Å; Y93-L130 WeakPolarHBondContact OH-CG 3.35Å; A126-L130 HydrophobicContact CB-CD1 4.29Å; A126-L130 WeakPolarHBondContact O-CB 3.26Å; A126-L130 WeakPolarHBondContact O-CD1 3.42Å; A126-L130 WeakPolarHBondContact O-CG 3.38Å; A126-L130 PolarHBondContact O-N 3.4Å; L130-N132 PolarHBondContact O-N 3.02Å; L130-N132 VanDerWaalsContact O-N 3.09Å; L130-R133 WeakPolarHBondContact O-CB 3.5Å; L130-R133 PolarHBondContact O-N 2.72Å; L130-I140 HydrophobicContact CB-CG2 4.15Å; L130-I140 HydrophobicContact CD2-CD1 4.28Å; L130-I140 WeakPolarHBondContact O-CB 3.5Å; L130-A142 HydrophobicContact CB-CB 3.81Å; L130-A142 HydrophobicContact CD1-CB 4.12Å
131N94.4Very high92.7Very high68 Ų6871.4 Ų71.436%0.36436%0.358SS..THydrogen-bonded Turntrans-64.4-13.8178.3-79.8-51.5000114.1V127 D129 I140 A142V127-N131 PolarHBondContact O-N 2.97Å; V127-N131 PolarHBondContact O-ND2 2.68Å; D129-N131 VanDerWaalsContact C-N 3.32Å; D129-N131 PolarHBondContact O-N 3.4Å; N131-I140 PolarHBondContact OD1-O 3.42Å; N131-A142 PolarHBondContact ND2-O 3.26Å; N131-A142 PolarHBondContact OD1-N 3.22Å; N131-A142 PolarHBondContact OD1-O 3Å
132N92.6Very high92.7Very high130 Ų13066.2 Ų66.270%0.69534%0.335SS*.THydrogen-bonded Turntrans-98.36.8175.6-65.9-63.4000112.8M128 D129 L130M128-N132 PolarHBondContact O-ND2 2.97Å; D129-N132 PolarHBondContact O-N 2.76Å; L130-N132 PolarHBondContact O-N 3.02Å; L130-N132 VanDerWaalsContact O-N 3.09Å
133R92.8Very high92.7Very high59 Ų5966.7 Ų66.722%0.22334%0.337CS..  trans-117.2163.2-172.5-66.9-177.761.4-163.2-10.1112.4E88 D129 L130 I140E88-R133 IonicContact OE1-CZ 3.85Å; E88-R133 IonicContact OE1-NH1 3.72Å; E88-R133 PolarHBondContact OE1-NH1 3.03Å; E88-R133 IonicContact OE1-NH2 3.08Å; E88-R133 PolarHBondContact OE1-NH2 3.36Å; E88-R133 IonicContact OE2-NH2 2.78Å; D129-R133 WeakPolarHBondContact O-CG 3.07Å; D129-R133 VanDerWaalsContact OD2-CD 3.31Å; D129-R133 WeakPolarHBondContact OD2-CD 3.47Å; D129-R133 IonicContact OD2-NH1 3.77Å; L130-R133 WeakPolarHBondContact O-CB 3.5Å; L130-R133 PolarHBondContact O-N 2.72Å; R133-I140 HydrophobicContact CB-CD1 4Å; R133-I140 PolarHBondContact O-N 2.96Å
134W90.3Very high92.7Very high181 Ų18167.9 Ų67.969%0.68634%0.343SS*.EExtended strand (participates in β ladder)trans-121.4139.2-178.8-67.663.3000109.5Q138W134-Q138 CarbonylContact C-O 3.54Å; W134-Q138 VanDerWaalsContact CA-O 3.23Å; W134-Q138 WeakPolarHBondContact CA-O 3.39Å
135F86.7Confident92.8Very high34 Ų3463.1 Ų63.115%0.14932%0.321CS..EExtended strand (participates in β ladder)trans-132.1128.6174.7-172.7-101.4000108.6I51 F81 A137 Q138 I140I51-F135 HydrophobicContact CD1-CB 4.13Å; I51-F135 HydrophobicContact CD1-CD1 3.94Å; I51-F135 HydrophobicContact CD1-CG 4.01Å; I51-F135 HydrophobicContact CG1-CB 4.46Å; I51-F135 HydrophobicContact CG1-CD1 3.53Å; I51-F135 HydrophobicContact CG1-CE1 3.98Å; I51-F135 HydrophobicContact CG1-CG 4.13Å; F81-F135 HydrophobicContact CD2-CE1 4.28Å; F81-F135 HydrophobicContact CD2-CZ 4.02Å; F81-F135 AromaticContact CE2-CE1 3.84Å; F81-F135 HydrophobicContact CE2-CE1 3.84Å; F81-F135 AromaticContact CE2-CZ 3.88Å; F81-F135 HydrophobicContact CE2-CZ 3.88Å; F135-A137 VanDerWaalsContact C-N 3.29Å; F135-A137 PolarHBondContact O-N 3.31Å; F135-Q138 PolarHBondContact N-O 2.99Å; F135-Q138 PolarHBondContact O-N 3.33Å; F135-I140 HydrophobicContact CB-CD1 3.82Å; F135-I140 HydrophobicContact CB-CG1 3.71Å
136N84.2Confident92.7Very high118 Ų11858.6 Ų58.663%0.63130%0.303SS*.THydrogen-bonded Turntrans48.346.6-177.6-70.9-25.4000114.3Q138N136-Q138 PolarHBondContact O-N 2.76Å
137A85.9Confident92.6Very high90 Ų9058.7 Ų58.774%0.74430%0.303SS*.THydrogen-bonded Turntrans60.420.9-17800000115.1F135F135-A137 VanDerWaalsContact C-N 3.29Å; F135-A137 PolarHBondContact O-N 3.31Å
138Q86.3Confident92.3Very high73 Ų7362.5 Ų62.534%0.34133%0.327SS..EExtended strand (participates in β ladder)trans-122.4145.7172.6-59.6-154-5700111.5W134 F135 N136W134-Q138 CarbonylContact C-O 3.54Å; W134-Q138 VanDerWaalsContact CA-O 3.23Å; W134-Q138 WeakPolarHBondContact CA-O 3.39Å; F135-Q138 PolarHBondContact N-O 2.99Å; F135-Q138 PolarHBondContact O-N 3.33Å; N136-Q138 PolarHBondContact O-N 2.76Å
139P92.6Very high92.2Very high62 Ų6259.8 Ų59.840%0.40332%0.315SS..EExtended strand (participates in β ladder)trans-63.8139.1170.129-34.4000109.7
140I93.9Very high92Very high11 Ų1156.6 Ų56.66%0.05630%0.298CS..  trans-81.7132.5174.3-58.1174.7000108.4I48 I51 L130 N131 R133 F135I48-I140 HydrophobicContact CG2-CG2 3.57Å; I51-I140 HydrophobicContact CD1-CD1 4.33Å; I51-I140 HydrophobicContact CD1-CG1 4.24Å; I51-I140 HydrophobicContact CD1-CG2 4.29Å; L130-I140 HydrophobicContact CB-CG2 4.15Å; L130-I140 HydrophobicContact CD2-CD1 4.28Å; L130-I140 WeakPolarHBondContact O-CB 3.5Å; N131-I140 PolarHBondContact OD1-O 3.42Å; R133-I140 HydrophobicContact CB-CD1 4Å; R133-I140 PolarHBondContact O-N 2.96Å; F135-I140 HydrophobicContact CB-CD1 3.82Å; F135-I140 HydrophobicContact CB-CG1 3.71Å
141H94.3Very high91.8Very high105 Ų10566 Ų6649%0.48633%0.333SS..EExtended strand (participates in β ladder)trans-109.3106.8172.6-67.1-59.4000109.4I48 Q49I48-H141 CarbonylContact C-O 3.59Å; I48-H141 WeakPolarHBondContact CA-O 3.49Å; Q49-H141 HydrophobicContact CB-CB 4.28Å; Q49-H141 PolarHBondContact N-O 2.9Å
142A95.6Very high91.5Very high8 Ų867.8 Ų67.87%0.06634%0.339CS..EExtended strand (participates in β ladder)trans-114.6140.2178.300000110.7L47 I48 V127 L130 N131L47-A142 CarbonylContact O-C 3.6Å; L47-A142 VanDerWaalsContact O-CA 3.31Å; L47-A142 WeakPolarHBondContact O-CA 3.49Å; I48-A142 HydrophobicContact CG1-CB 4.39Å; V127-A142 HydrophobicContact CG2-CB 4.42Å; L130-A142 HydrophobicContact CB-CB 3.81Å; L130-A142 HydrophobicContact CD1-CB 4.12Å; N131-A142 PolarHBondContact ND2-O 3.26Å; N131-A142 PolarHBondContact OD1-N 3.22Å; N131-A142 PolarHBondContact OD1-O 3Å
143E95.5Very high91.4Very high29 Ų2961.6 Ų61.614%0.13631%0.306CS..EExtended strand (participates in β ladder)trans-143157.517364.1-179.4172.500111.7K39 I46 L47 Q49 S145K39-E143 IonicContact NZ-OE2 3.45Å; K39-E143 PolarHBondContact NZ-OE2 3.33Å; I46-E143 CarbonylContact C-O 3.58Å; I46-E143 WeakPolarHBondContact CA-O 3.49Å; L47-E143 HydrophobicContact CB-CG 4.26Å; L47-E143 HydrophobicContact CD2-CG 4.41Å; L47-E143 HydrophobicContact CG-CG 4.49Å; L47-E143 PolarHBondContact N-O 3.37Å; L47-E143 PolarHBondContact O-N 3.32Å; Q49-E143 PolarHBondContact NE2-OE1 3.39Å; E143-S145 PolarHBondContact O-N 3.49Å
144L96.4Very high91.4Very high24 Ų2460 Ų6013%0.12630%0.304CS..EExtended strand (participates in β ladder)trans-68.8131.2170.7-65.9175.3000109.2P40 T41 I46 A123 V127P40-L144 HydrophobicContact CG-CB 4.05Å; T41-L144 WeakPolarHBondContact O-CD1 3.21Å; I46-L144 HydrophobicContact CG2-CD2 4.18Å; A123-L144 HydrophobicContact CB-CD2 4.15Å; V127-L144 HydrophobicContact CG2-CD2 3.98Å; V127-L144 HydrophobicContact CG2-CG 4.27Å
145S95.9Very high91.6Very high1 Ų151.7 Ų51.71%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-104.6136.9-177.5-179.80000110.6S43 T45 E143 V147S43-S145 VanDerWaalsContact CB-O 3.31Å; S43-S145 WeakPolarHBondContact CB-O 3.4Å; S43-S145 PolarHBondContact OG-O 3.24Å; T45-S145 PolarHBondContact O-N 2.84Å; E143-S145 PolarHBondContact O-N 3.49Å; S145-V147 PolarHBondContact O-N 3.34Å; S145-V147 VanDerWaalsContact OG-CG2 3.26Å; S145-V147 WeakPolarHBondContact OG-CG2 3.48Å; S145-V147 PolarHBondContact OG-N 3.35Å
146P93.9Very high91.8Very high16 Ų1658.8 Ų58.810%0.10430%0.299CS..  trans-72.7-5.717532.1-37.2000113.3Y21 P40 T148Y21-P146 HydrophobicContact CD1-CG 4.26Å; Y21-P146 HydrophobicContact CE1-CG 3.95Å; Y21-P146 WeakPolarHBondContact O-CG 2.99Å; P40-P146 HydrophobicContact CG-CB 4.39Å; P146-T148 PolarHBondContact O-N 2.85Å
147V93.9Very high92.2Very high1 Ų157 Ų571%0.00629%0.287CS..  trans-67.6116.7-174.7-178.90000110.9I24 G25 T45 Y114 S145 F150 M172I24-V147 VanDerWaalsContact O-CG2 3.28Å; I24-V147 WeakPolarHBondContact O-CG2 3.4Å; G25-V147 VanDerWaalsContact N-CG2 3.35Å; T45-V147 VanDerWaalsContact CB-O 3.23Å; T45-V147 WeakPolarHBondContact CB-O 3.38Å; T45-V147 HydrophobicContact CG2-CB 4.46Å; T45-V147 PolarHBondContact OG1-O 2.89Å; Y114-V147 HydrophobicContact CE1-CG2 4.25Å; S145-V147 PolarHBondContact O-N 3.34Å; S145-V147 VanDerWaalsContact OG-CG2 3.26Å; S145-V147 WeakPolarHBondContact OG-CG2 3.48Å; S145-V147 PolarHBondContact OG-N 3.35Å; V147-F150 HydrophobicContact CG1-CD1 3.87Å; V147-F150 HydrophobicContact CG1-CE1 3.81Å; V147-F150 HydrophobicContact CG1-CZ 4.44Å; V147-M172 HydrophobicContact CG1-CE 4.47Å; V147-M172 HydrophobicContact CG2-CE 4.14Å
148T90Very high92.4Very high103 Ų10356.1 Ų56.163%0.63227%0.265SS*.  trans-103-33.6176.755.60000113.4K116 P146K116-T148 PolarHBondContact NZ-O 3.05Å; P146-T148 PolarHBondContact O-N 2.85Å
149D90.4Very high92.5Very high68 Ų6860.2 Ų60.236%0.36428%0.284SS..  trans-129.4110.1-178.2-173.1-4.4000110.9R151 E152D149-R151 PolarHBondContact O-N 3.47Å; D149-R151 VanDerWaalsContact OD1-CB 3.24Å; D149-R151 WeakPolarHBondContact OD1-CB 3.47Å; D149-R151 WeakPolarHBondContact OD1-CG 3.3Å; D149-R151 PolarHBondContact OD1-N 2.84Å; D149-E152 PolarHBondContact O-N 3.34Å
150F92.1Very high92.3Very high5 Ų563.2 Ų63.22%0.02229%0.294CS..Hα-helixtrans-66.6-23.7178.2-67.4-70.1000113T45 E98 N100 Y114 K116 V147 E152 A153 C154 M172T45-F150 HydrophobicContact CG2-CZ 3.87Å; E98-F150 HydrophobicContact CB-CE2 4.32Å; E98-F150 HydrophobicContact CG-CD2 4.22Å; E98-F150 HydrophobicContact CG-CE2 4.3Å; N100-F150 VanDerWaalsContact ND2-CD2 3.31Å; N100-F150 WeakPolarHBondContact ND2-CD2 3.17Å; N100-F150 VanDerWaalsContact ND2-CG 3.27Å; N100-F150 WeakPolarHBondContact ND2-CG 3.24Å; Y114-F150 VanDerWaalsContact CB-CE1 3.43Å; Y114-F150 HydrophobicContact CD1-CE1 4.19Å; Y114-F150 AromaticContact CG-CE1 3.83Å; Y114-F150 HydrophobicContact CG-CE1 3.83Å; Y114-F150 HydrophobicContact CG-CZ 4.48Å; K116-F150 HydrophobicContact CB-CE2 4.04Å; K116-F150 HydrophobicContact CB-CZ 4.46Å; K116-F150 HydrophobicContact CD-CE2 4.35Å; V147-F150 HydrophobicContact CG1-CD1 3.87Å; V147-F150 HydrophobicContact CG1-CE1 3.81Å; V147-F150 HydrophobicContact CG1-CZ 4.44Å; F150-E152 VanDerWaalsContact C-N 3.26Å; F150-E152 PolarHBondContact O-N 2.75Å; F150-A153 CarbonylContact O-C 3.56Å; F150-A153 PolarHBondContact O-N 2.95Å; F150-C154 PolarHBondContact O-N 2.91Å; F150-C154 PolarHBondContact O-SG 2.8Å; F150-M172 HydrophobicContact CD1-CE 4.49Å; F150-M172 HydrophobicContact CD1-SD 4.06Å
151R89.1Confident91.9Very high199 Ų19966 Ų6675%0.75133%0.326SS*.Hα-helixtrans-65.9-31-178.3-60.1174.566.3-160.3-0.4112.5D149D149-R151 PolarHBondContact O-N 3.47Å; D149-R151 VanDerWaalsContact OD1-CB 3.24Å; D149-R151 WeakPolarHBondContact OD1-CB 3.47Å; D149-R151 WeakPolarHBondContact OD1-CG 3.3Å; D149-R151 PolarHBondContact OD1-N 2.84Å
152E88.3Confident91.8Very high106 Ų10667.3 Ų67.350%0.49533%0.332SS..Hα-helixtrans-79.4-23.9173.1-67.6-150.8170.800112.7K23 D149 F150K23-E152 IonicContact NZ-OE2 2.76Å; K23-E152 PolarHBondContact NZ-OE2 2.98Å; D149-E152 PolarHBondContact O-N 3.34Å; F150-E152 VanDerWaalsContact C-N 3.26Å; F150-E152 PolarHBondContact O-N 2.75Å
153A90.9Very high91.6Very high0 Ų068 Ų680%034%0.336CS..Hα-helixtrans-86.6-25.4-178.300000113.8K23 I24 F150 M172K23-A153 WeakPolarHBondContact O-CB 3.34Å; I24-A153 VanDerWaalsContact CD1-CA 3.44Å; I24-A153 HydrophobicContact CD1-CB 3.73Å; F150-A153 CarbonylContact O-C 3.56Å; F150-A153 PolarHBondContact O-N 2.95Å; A153-M172 HydrophobicContact CB-CE 3.77Å; A153-M172 HydrophobicContact CB-CG 4.18Å; A153-M172 HydrophobicContact CB-SD 3.74Å; A153-M172 PolarHBondContact O-N 3.06Å
154C93.3Very high91.4Very high27 Ų2773.2 Ų73.218%0.18237%0.37CS..BIsolated β-bridgetrans-73142.1-178.8-68.50000112.9F150 R156 L174F150-C154 PolarHBondContact O-N 2.91Å; F150-C154 PolarHBondContact O-SG 2.8Å; C154-R156 PolarHBondContact O-N 2.95Å; C154-L174 WeakPolarHBondContact SG-CD1 3.26Å
155C94.1Very high91Very high6 Ų677.8 Ų77.84%0.04139%0.386CS..  trans-77.6106.6172.8-170.80000110.2Q157 Y158 E159 C169 F171 M172 H173C155-Q157 PolarHBondContact O-N 3.3Å; C155-Y158 PolarHBondContact O-N 3.24Å; C155-E159 PolarHBondContact O-N 3.49Å; C155-E159 VanDerWaalsContact O-N 3.09Å; C155-C169 VanDerWaalsContact SG-SG 3.68Å; C155-F171 HydrophobicContact CB-CB 3.57Å; C155-M172 PolarHBondContact N-O 2.86Å; C155-H173 VanDerWaalsContact CB-CD2 3.47Å; C155-H173 WeakPolarHBondContact CB-CD2 3.48Å
156R91.6Very high90.6Very high182 Ų18279 Ų7969%0.68740%0.399SS*.Hα-helixtrans-58.4-34.5177.7-63.2-175.2-175.7174.91.6113.4C154 Y158 E159 M160C154-R156 PolarHBondContact O-N 2.95Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; R156-E159 PolarHBondContact O-N 3.06Å; R156-M160 HydrophobicContact CB-CE 4.44Å; R156-M160 VanDerWaalsContact O-CE 3.26Å; R156-M160 WeakPolarHBondContact O-CE 3.41Å; R156-M160 PolarHBondContact O-N 3.26Å
157Q91.4Very high90.3Very high80 Ų8079.6 Ų79.637%0.37441%0.407SS..Hα-helixtrans-68-34.5177.3-67.9178.8-32.500111.5C155 M160 G161 E162 C163C155-Q157 PolarHBondContact O-N 3.3Å; Q157-M160 PolarHBondContact O-N 3.29Å; Q157-G161 PolarHBondContact O-N 2.95Å; Q157-E162 PolarHBondContact O-N 3.49Å; Q157-C163 HydrophobicContact CB-CB 4.03Å; Q157-C163 PolarHBondContact O-N 2.91Å
158Y90.5Very high90.2Very high72 Ų7288.1 Ų88.128%0.28245%0.445SS..Hα-helixtrans-72.7-38.2177.2-176.5-95.7000111.3C155 R156 M160 G161 C163 H173C155-Y158 PolarHBondContact O-N 3.24Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; Y158-M160 PolarHBondContact O-N 3.36Å; Y158-G161 PolarHBondContact O-N 3.15Å; Y158-C163 HydrophobicContact CD2-CB 4.27Å; Y158-H173 HydrophobicContact CD1-CB 3.73Å; Y158-H173 AromaticContact CD1-CG 3.95Å; Y158-H173 HydrophobicContact CD2-CB 3.95Å; Y158-H173 AromaticContact CD2-CD2 3.93Å; Y158-H173 AromaticContact CD2-CE1 3.61Å; Y158-H173 AromaticContact CD2-CG 3.47Å; Y158-H173 VanDerWaalsContact CD2-CG 3.47Å; Y158-H173 AromaticContact CD2-ND1 3.26Å; Y158-H173 VanDerWaalsContact CD2-ND1 3.26Å; Y158-H173 WeakPolarHBondContact CD2-ND1 3.28Å; Y158-H173 HydrophobicContact CE1-CB 3.74Å; Y158-H173 HydrophobicContact CE2-CB 3.95Å; Y158-H173 AromaticContact CE2-CG 3.87Å; Y158-H173 AromaticContact CE2-ND1 3.59Å; Y158-H173 HydrophobicContact CG-CB 3.82Å; Y158-H173 AromaticContact CG-CD2 3.66Å; Y158-H173 AromaticContact CG-CG 3.49Å; Y158-H173 VanDerWaalsContact CG-CG 3.49Å; Y158-H173 AromaticContact CG-ND1 3.79Å
159E88.3Confident90.3Very high160 Ų16083.2 Ų83.275%0.74842%0.415SS*.Hα-helixtrans-56.8-30.9172.5-172.1178.1-15700112.3C155 R156C155-E159 PolarHBondContact O-N 3.49Å; C155-E159 VanDerWaalsContact O-N 3.09Å; R156-E159 PolarHBondContact O-N 3.06Å
160M88.3Confident90.4Very high124 Ų12481.2 Ų81.261%0.61140%0.404SS*.THydrogen-bonded Turntrans-89.1-4.2174.6-66.5-176.1-82.500114.2R156 Q157 Y158 E162R156-M160 HydrophobicContact CB-CE 4.44Å; R156-M160 VanDerWaalsContact O-CE 3.26Å; R156-M160 WeakPolarHBondContact O-CE 3.41Å; R156-M160 PolarHBondContact O-N 3.26Å; Q157-M160 PolarHBondContact O-N 3.29Å; Y158-M160 PolarHBondContact O-N 3.36Å; M160-E162 HydrophobicContact CB-CG 4.46Å
161G87.1Confident90.5Very high70 Ų7083.7 Ų83.772%0.72242%0.415SS*.THydrogen-bonded Turntrans79.714-178.500000115.3Q157 Y158Q157-G161 PolarHBondContact O-N 2.95Å; Y158-G161 PolarHBondContact O-N 3.15Å
162E91.4Very high90.8Very high133 Ų13374.3 Ų74.362%0.62138%0.38SS*.  trans-113.54.7-170.6-62-180168.600113.5Q157 M160 T164Q157-E162 PolarHBondContact O-N 3.49Å; M160-E162 HydrophobicContact CB-CG 4.46Å; E162-T164 PolarHBondContact O-N 3.46Å
163C91.6Very high91.1Very high23 Ų2369.7 Ų69.716%0.15536%0.358CS..  trans-71.3105.3-178.8-171.70000111.4Q157 Y158 H173Q157-C163 HydrophobicContact CB-CB 4.03Å; Q157-C163 PolarHBondContact O-N 2.91Å; Y158-C163 HydrophobicContact CD2-CB 4.27Å; C163-H173 PolarHBondContact SG-CE1 2.78Å; C163-H173 PolarHBondContact SG-NE2 3.36Å
164T91.2Very high91.2Very high138 Ų13871.7 Ų71.785%0.84737%0.369SS*.THydrogen-bonded Turntrans-90.93178.654.90000113.9E162 G166E162-T164 PolarHBondContact O-N 3.46Å; T164-G166 VanDerWaalsContact C-N 3.3Å; T164-G166 PolarHBondContact O-N 3.11Å
165R88.6Confident91Very high119 Ų11971.8 Ų71.845%0.44937%0.366SS..THydrogen-bonded Turntrans-76.1-14.6-175.2-63.7-177.7-176.2-176.80.4113.8G167 F168 C169R165-G167 PolarHBondContact O-N 3.35Å; R165-F168 WeakPolarHBondContact O-CB 3.42Å; R165-F168 PolarHBondContact O-N 3.22Å; R165-C169 HydrophobicContact CB-CB 3.87Å
166G87.3Confident90.8Very high28 Ų2875.9 Ų75.929%0.28939%0.392SS..G310 helixtrans50.4-130.8-17900000112.4T164 F168 C169T164-G166 VanDerWaalsContact C-N 3.3Å; T164-G166 PolarHBondContact O-N 3.11Å; G166-F168 PolarHBondContact O-N 3.13Å; G166-C169 PolarHBondContact O-N 3.05Å
167G87.4Confident90.7Very high27 Ų2768.6 Ų68.628%0.27837%0.367SS..G310 helixtrans-67-9.9178.100000115.7G106 R165G106-G167 WeakPolarHBondContact CA-O 3.37Å; R165-G167 PolarHBondContact O-N 3.35Å
168F90.5Very high90.6Very high180 Ų18066.2 Ų66.279%0.78936%0.359SS*.G310 helixtrans-90.5-1.3177-56.4-76.4000113.2R165 G166 N170R165-F168 WeakPolarHBondContact O-CB 3.42Å; R165-F168 PolarHBondContact O-N 3.22Å; G166-F168 PolarHBondContact O-N 3.13Å; F168-N170 PolarHBondContact O-N 3.13Å
169C93.3Very high90.4Very high1 Ų173.4 Ų73.41%0.00739%0.386CS..  trans-72.1125.3173.8-163.10000110.6C155 R165 G166 H173C155-C169 VanDerWaalsContact SG-SG 3.68Å; R165-C169 HydrophobicContact CB-CB 3.87Å; G166-C169 PolarHBondContact O-N 3.05Å; C169-H173 WeakPolarHBondContact CB-NE2 3.17Å; C169-H173 PolarHBondContact SG-NE2 3.48Å
170N92.5Very high90.3Very high25 Ų2572.6 Ų72.613%0.13438%0.382CS..  trans-95.27.5177.5-50.9-56.8000113F20 F168F20-N170 HydrophobicContact CD1-CB 3.8Å; F20-N170 HydrophobicContact CE1-CB 3.67Å; F20-N170 HydrophobicContact CZ-CB 4.34Å; F168-N170 PolarHBondContact O-N 3.13Å
171F94.1Very high90.2Very high58 Ų5867.2 Ų67.225%0.25436%0.355SS..SBendtrans-109.6151.9178.1-70.2-85.9000109.6F20 I24 N104 C155 H173F20-F171 HydrophobicContact CE1-CE2 4.37Å; F20-F171 HydrophobicContact CE1-CZ 4.38Å; I24-F171 HydrophobicContact CD1-CD1 3.97Å; I24-F171 HydrophobicContact CD1-CE1 4.38Å; N104-F171 PolarHBondContact ND2-O 3.03Å; C155-F171 HydrophobicContact CB-CB 3.57Å; F171-H173 PolarHBondContact O-CD2 3.37Å; F171-H173 PolarHBondContact O-N 2.79Å
172M94.7Very high90.2Very high1 Ų171.9 Ų71.91%0.00535%0.351CS..BIsolated β-bridgetrans-65.9125.3-176.5-57.9-178.7179.800110.8I24 Y114 V147 F150 A153 C155 L174I24-M172 HydrophobicContact CG2-CE 3.77Å; I24-M172 HydrophobicContact CG2-CG 3.9Å; I24-M172 WeakPolarHBondContact O-CE 3.43Å; Y114-M172 HydrophobicContact CD1-CE 4.04Å; Y114-M172 HydrophobicContact CD2-CE 3.9Å; Y114-M172 HydrophobicContact CD2-SD 4.07Å; Y114-M172 HydrophobicContact CE1-CE 3.55Å; Y114-M172 HydrophobicContact CE2-CE 3.42Å; Y114-M172 VanDerWaalsContact CE2-CE 3.42Å; Y114-M172 HydrophobicContact CE2-SD 3.88Å; Y114-M172 HydrophobicContact CG-CE 4.19Å; V147-M172 HydrophobicContact CG1-CE 4.47Å; V147-M172 HydrophobicContact CG2-CE 4.14Å; F150-M172 HydrophobicContact CD1-CE 4.49Å; F150-M172 HydrophobicContact CD1-SD 4.06Å; A153-M172 HydrophobicContact CB-CE 3.77Å; A153-M172 HydrophobicContact CB-CG 4.18Å; A153-M172 HydrophobicContact CB-SD 3.74Å; A153-M172 PolarHBondContact O-N 3.06Å; C155-M172 PolarHBondContact N-O 2.86Å; M172-L174 HydrophobicContact CB-CD2 3.88Å; M172-L174 HydrophobicContact CB-CG 4.42Å; M172-L174 HydrophobicContact SD-CD2 4.46Å
173H94.2Very high89.9Confident10 Ų1074.4 Ų74.45%0.04636%0.355CS..  trans-96.597.1168.1-72.1-169.8000106.9C102 D103 N104 C155 Y158 C163 C169 F171C102-H173 CarbonylContact C-O 3.6Å; C102-H173 WeakPolarHBondContact CA-O 3.49Å; D103-H173 PolarHBondContact N-O 3.19Å; N104-H173 PolarHBondContact OD1-N 3.34Å; C155-H173 VanDerWaalsContact CB-CD2 3.47Å; C155-H173 WeakPolarHBondContact CB-CD2 3.48Å; Y158-H173 HydrophobicContact CD1-CB 3.73Å; Y158-H173 AromaticContact CD1-CG 3.95Å; Y158-H173 HydrophobicContact CD2-CB 3.95Å; Y158-H173 AromaticContact CD2-CD2 3.93Å; Y158-H173 AromaticContact CD2-CE1 3.61Å; Y158-H173 AromaticContact CD2-CG 3.47Å; Y158-H173 VanDerWaalsContact CD2-CG 3.47Å; Y158-H173 AromaticContact CD2-ND1 3.26Å; Y158-H173 VanDerWaalsContact CD2-ND1 3.26Å; Y158-H173 WeakPolarHBondContact CD2-ND1 3.28Å; Y158-H173 HydrophobicContact CE1-CB 3.74Å; Y158-H173 HydrophobicContact CE2-CB 3.95Å; Y158-H173 AromaticContact CE2-CG 3.87Å; Y158-H173 AromaticContact CE2-ND1 3.59Å; Y158-H173 HydrophobicContact CG-CB 3.82Å; Y158-H173 AromaticContact CG-CD2 3.66Å; Y158-H173 AromaticContact CG-CG 3.49Å; Y158-H173 VanDerWaalsContact CG-CG 3.49Å; Y158-H173 AromaticContact CG-ND1 3.79Å; C163-H173 PolarHBondContact SG-CE1 2.78Å; C163-H173 PolarHBondContact SG-NE2 3.36Å; C169-H173 WeakPolarHBondContact CB-NE2 3.17Å; C169-H173 PolarHBondContact SG-NE2 3.48Å; F171-H173 PolarHBondContact O-CD2 3.37Å; F171-H173 PolarHBondContact O-N 2.79Å
174L93Very high89.6Confident42 Ų4278.2 Ų78.222%0.2237%0.37CS..BIsolated β-bridgetrans-81.7127.9-175.1-61.6-169.8000111.2N100 V101 C154 M172 P176N100-L174 HydrophobicContact CB-CD1 4.11Å; N100-L174 HydrophobicContact CB-CD2 3.86Å; V101-L174 WeakPolarHBondContact O-CA 3.3Å; C154-L174 WeakPolarHBondContact SG-CD1 3.26Å; M172-L174 HydrophobicContact CB-CD2 3.88Å; M172-L174 HydrophobicContact CB-CG 4.42Å; M172-L174 HydrophobicContact SD-CD2 4.46Å; L174-P176 WeakPolarHBondContact O-CD 3.28Å
175K90.9Very high89.1Confident28 Ų2872.7 Ų72.712%0.12234%0.336CS..PPolyproline II helixtrans-78118.6172.9-167.7164178.4167.40109.9Y52 Y78 V101 D103Y52-K175 HydrophobicContact CE1-CD 4.1Å; Y52-K175 PolarHBondContact OH-NZ 2.8Å; Y78-K175 HydrophobicContact CD1-CD 4.06Å; Y78-K175 HydrophobicContact CD1-CG 4.01Å; Y78-K175 HydrophobicContact CD2-CD 3.76Å; Y78-K175 HydrophobicContact CD2-CG 4.35Å; Y78-K175 HydrophobicContact CE1-CB 4.08Å; Y78-K175 HydrophobicContact CE1-CD 4.12Å; Y78-K175 HydrophobicContact CE1-CG 3.67Å; Y78-K175 HydrophobicContact CE2-CB 4.09Å; Y78-K175 HydrophobicContact CE2-CD 3.83Å; Y78-K175 HydrophobicContact CE2-CG 4.06Å; Y78-K175 HydrophobicContact CG-CD 3.86Å; Y78-K175 HydrophobicContact CG-CG 4.32Å; Y78-K175 PolarHBondContact OH-O 3.22Å; V101-K175 PolarHBondContact O-N 3.46Å; D103-K175 HydrophobicContact CB-CB 4.07Å; D103-K175 HydrophobicContact CB-CD 4.47Å
176P88.6Confident88.6Confident92 Ų9269.8 Ų69.860%0.59733%0.325SS*.PPolyproline II helixtrans-70.9135.1-179.629-33.8000110.9Q75 Y78 L174Q75-P176 PolarHBondContact NE2-O 3.07Å; Y78-P176 WeakPolarHBondContact CE1-O 3.5Å; L174-P176 WeakPolarHBondContact O-CD 3.28Å
177I90.6Very high87.6Confident30 Ų3069.6 Ų69.615%0.15432%0.324CS..PPolyproline II helixtrans-76.9157.7168.157.1172.9000111Y78 F82 L181 R182 Y186Y78-I177 HydrophobicContact CE1-CB 4.46Å; Y78-I177 HydrophobicContact CE1-CG2 3.68Å; F82-I177 HydrophobicContact CB-CG2 4.11Å; F82-I177 HydrophobicContact CD1-CG2 3.82Å; F82-I177 HydrophobicContact CD2-CG2 3.39Å; F82-I177 HydrophobicContact CE1-CD1 4.08Å; F82-I177 HydrophobicContact CE1-CG2 4.04Å; F82-I177 HydrophobicContact CE2-CG2 3.64Å; F82-I177 HydrophobicContact CG-CG2 3.49Å; F82-I177 VanDerWaalsContact CG-CG2 3.49Å; F82-I177 HydrophobicContact CZ-CD1 4.27Å; F82-I177 HydrophobicContact CZ-CG2 3.96Å; I177-L181 HydrophobicContact CB-CD2 4.35Å; I177-L181 HydrophobicContact CG2-CD2 4.38Å; I177-R182 HydrophobicContact CD1-CB 3.55Å; I177-R182 HydrophobicContact CD1-CG 3.96Å; I177-R182 HydrophobicContact CG1-CB 3.97Å; I177-R182 HydrophobicContact CG1-CG 4.5Å; I177-Y186 HydrophobicContact CD1-CE2 4.48Å
178S89.1Confident86.2Confident30 Ų3077.4 Ų77.421%0.2134%0.344CS..PPolyproline II helixtrans-59.2151.8173.769.90000112.1D79 E180 L181 R182D79-S178 PolarHBondContact OD1-N 2.89Å; D79-S178 VanDerWaalsContact OD1-N 3.11Å; D79-S178 WeakPolarHBondContact OD2-CB 3.48Å; D79-S178 PolarHBondContact OD2-OG 3.24Å; S178-E180 PolarHBondContact O-N 3.09Å; S178-L181 PolarHBondContact O-N 3.46Å; S178-L181 WeakPolarHBondContact OG-CB 3.47Å; S178-L181 PolarHBondContact OG-N 3.25Å; S178-R182 WeakPolarHBondContact O-CB 3.24Å; S178-R182 PolarHBondContact O-N 3.04Å
179R86.3Confident84.4Confident223 Ų22371.8 Ų71.884%0.84232%0.318SS*.Hα-helixtrans-63.7-27179.9-67.9-177175.7-167.9-0.1112.4R183R179-R183 WeakPolarHBondContact O-CB 3.49Å; R179-R183 PolarHBondContact O-N 3.19Å
180E86.6Confident82.4Confident143 Ų14381.7 Ų81.767%0.66836%0.355SS*.Hα-helixtrans-73.2-55.4178.6-61.6-172172.100109.5S178 R182 R183 E184S178-E180 PolarHBondContact O-N 3.09Å; E180-R182 VanDerWaalsContact C-N 3.3Å; E180-R182 PolarHBondContact O-N 3.45Å; E180-R183 WeakPolarHBondContact O-CA 3.3Å; E180-R183 WeakPolarHBondContact O-CB 3.47Å; E180-R183 PolarHBondContact O-N 3.29Å; E180-E184 WeakPolarHBondContact O-CG 3.26Å; E180-E184 PolarHBondContact O-N 3.45Å
181L86.4Confident80.3Confident10 Ų1088.8 Ų88.85%0.05239%0.385CS..Hα-helixtrans-56.6-44.1177.2-176.562.9000112D79 F82 E83 I177 S178 R183 E184 L185D79-L181 HydrophobicContact CB-CD2 3.77Å; D79-L181 WeakPolarHBondContact O-CD2 3.29Å; F82-L181 HydrophobicContact CB-CD2 4.18Å; F82-L181 HydrophobicContact CD1-CD2 4.08Å; F82-L181 HydrophobicContact CG-CD2 4.45Å; E83-L181 HydrophobicContact CB-CD1 4.06Å; E83-L181 HydrophobicContact CG-CD1 4.36Å; I177-L181 HydrophobicContact CB-CD2 4.35Å; I177-L181 HydrophobicContact CG2-CD2 4.38Å; S178-L181 PolarHBondContact O-N 3.46Å; S178-L181 WeakPolarHBondContact OG-CB 3.47Å; S178-L181 PolarHBondContact OG-N 3.25Å; L181-R183 PolarHBondContact O-N 3.49Å; L181-E184 PolarHBondContact O-N 2.87Å; L181-L185 HydrophobicContact CD1-CD1 3.78Å; L181-L185 HydrophobicContact CD1-CD2 4.27Å; L181-L185 HydrophobicContact CD1-CG 3.81Å; L181-L185 HydrophobicContact CD2-CD1 4.3Å; L181-L185 HydrophobicContact CG-CD1 3.78Å; L181-L185 HydrophobicContact CG-CG 4.17Å; L181-L185 WeakPolarHBondContact O-CG 3.39Å; L181-L185 PolarHBondContact O-N 2.89Å
182R86.5Confident78.1Confident169 Ų16993.8 Ų93.864%0.63841%0.407SS*.Hα-helixtrans-56.4-38.1175.6-170.6172.4-179.3177.13.5112.5I177 S178 E180 Y186I177-R182 HydrophobicContact CD1-CB 3.55Å; I177-R182 HydrophobicContact CD1-CG 3.96Å; I177-R182 HydrophobicContact CG1-CB 3.97Å; I177-R182 HydrophobicContact CG1-CG 4.5Å; S178-R182 WeakPolarHBondContact O-CB 3.24Å; S178-R182 PolarHBondContact O-N 3.04Å; E180-R182 VanDerWaalsContact C-N 3.3Å; E180-R182 PolarHBondContact O-N 3.45Å; R182-Y186 HydrophobicContact CG-CD2 4.26Å; R182-Y186 WeakPolarHBondContact O-CB 3.19Å; R182-Y186 PolarHBondContact O-N 3.34Å
183R85.1Confident75.9Confident186 Ų186100.3 Ų100.370%0.70244%0.437SS*.Hα-helixtrans-74.6-32.6179.1-172.2-174.6-62.2158.22.9111.3R179 E180 L181 G187R179-R183 WeakPolarHBondContact O-CB 3.49Å; R179-R183 PolarHBondContact O-N 3.19Å; E180-R183 WeakPolarHBondContact O-CA 3.3Å; E180-R183 WeakPolarHBondContact O-CB 3.47Å; E180-R183 PolarHBondContact O-N 3.29Å; L181-R183 PolarHBondContact O-N 3.49Å; R183-G187 WeakPolarHBondContact O-CA 3.13Å; R183-G187 PolarHBondContact O-N 3.42Å
184E83.9Confident73.6Confident102 Ų102107 Ų10748%0.47746%0.462SS..Hα-helixtrans-73.4-51179.8-66.6-167.8172.500111.9E180 L181 R188E180-E184 WeakPolarHBondContact O-CG 3.26Å; E180-E184 PolarHBondContact O-N 3.45Å; L181-E184 PolarHBondContact O-N 2.87Å; E184-R188 WeakPolarHBondContact O-CD 3.26Å; E184-R188 WeakPolarHBondContact O-CG 3.47Å
185L81.9Confident71.5Confident22 Ų22108.9 Ų108.912%0.11548%0.478CS..Hα-helixtrans-65.3-56.7-179.4-60.6179.6000111.2F82 E83 F86 L181F82-L185 HydrophobicContact CD1-CD1 3.68Å; F82-L185 HydrophobicContact CE1-CD1 3.63Å; E83-L185 HydrophobicContact CG-CD2 4.43Å; F86-L185 HydrophobicContact CB-CD1 4.28Å; F86-L185 HydrophobicContact CD1-CB 4.39Å; F86-L185 HydrophobicContact CD1-CD1 4.18Å; F86-L185 HydrophobicContact CD1-CD2 3.81Å; F86-L185 HydrophobicContact CD1-CG 4.35Å; F86-L185 HydrophobicContact CE1-CB 4.16Å; F86-L185 HydrophobicContact CE1-CD2 4.23Å; F86-L185 HydrophobicContact CG-CD1 4.08Å; F86-L185 HydrophobicContact CG-CD2 4.47Å; F86-L185 HydrophobicContact CZ-CB 4.47Å; L181-L185 HydrophobicContact CD1-CD1 3.78Å; L181-L185 HydrophobicContact CD1-CD2 4.27Å; L181-L185 HydrophobicContact CD1-CG 3.81Å; L181-L185 HydrophobicContact CD2-CD1 4.3Å; L181-L185 HydrophobicContact CG-CD1 3.78Å; L181-L185 HydrophobicContact CG-CG 4.17Å; L181-L185 WeakPolarHBondContact O-CG 3.39Å; L181-L185 PolarHBondContact O-N 2.89Å
186Y78.1Confident69.6Low58 Ų58117.8 Ų117.823%0.22751%0.511CS..Hα-helixtrans-89.4-20.9-174.5-62.3-83.2000113.9F86 M99 I177 R182F86-Y186 HydrophobicContact CE2-CE1 4.09Å; F86-Y186 HydrophobicContact CE2-CE2 4.46Å; F86-Y186 AromaticContact CE2-CZ 3.8Å; F86-Y186 HydrophobicContact CZ-CE1 4.32Å; M99-Y186 PolarHBondContact N-OH 2.99Å; M99-Y186 VanDerWaalsContact N-OH 3.16Å; I177-Y186 HydrophobicContact CD1-CE2 4.48Å; R182-Y186 HydrophobicContact CG-CD2 4.26Å; R182-Y186 WeakPolarHBondContact O-CB 3.19Å; R182-Y186 PolarHBondContact O-N 3.34Å
187G66.8Low67.6Low25 Ų25117.7 Ų117.726%0.25851%0.512SS..Hα-helixtrans-79-24.4-179.900000114R183 R189 R190R183-G187 WeakPolarHBondContact O-CA 3.13Å; R183-G187 PolarHBondContact O-N 3.42Å; G187-R189 PolarHBondContact O-N 3.34Å; G187-R190 PolarHBondContact O-N 2.77Å
188R56.9Low65.6Low190 Ų190124.2 Ų124.272%0.71754%0.535SS*.Hα-helixtrans-57.8-37.4169.9-78.8175-173.6-162.76.2111.5E184 R190 K191E184-R188 WeakPolarHBondContact O-CD 3.26Å; E184-R188 WeakPolarHBondContact O-CG 3.47Å; R188-R190 PolarHBondContact O-N 3.29Å; R188-K191 PolarHBondContact O-N 3.19Å
189R53.8Low63.6Low62 Ų62127.4 Ų127.423%0.23456%0.558CS.*Hα-helixtrans-60.5-40175.7-104-179-152-170.122.8114.2E90 E95 V96 G187 K191 K192 H193E90-R189 IonicContact OE1-CZ 2.62Å; E90-R189 IonicContact OE1-NE 2.76Å; E90-R189 IonicContact OE1-NH2 2.7Å; E90-R189 PolarHBondContact OE1-NH2 3.4Å; E95-R189 IonicContact OE1-CZ 3.98Å; E95-R189 IonicContact OE1-NE 3.62Å; E95-R189 PolarHBondContact OE1-NE 3.39Å; E95-R189 IonicContact OE1-NH1 2.71Å; E95-R189 PolarHBondContact OE1-NH1 3.13Å; E95-R189 IonicContact OE1-NH2 3.08Å; V96-R189 VanDerWaalsContact O-CZ 3.27Å; V96-R189 PolarHBondContact O-NH1 2.88Å; V96-R189 PolarHBondContact O-NH2 2.79Å; G187-R189 PolarHBondContact O-N 3.34Å; R189-K191 VanDerWaalsContact C-N 3.29Å; R189-K191 PolarHBondContact O-N 3.36Å; R189-K192 PolarHBondContact O-N 3.28Å; R189-H193 PolarHBondContact O-N 2.83Å
190R50.3Low61.8Low209 Ų209128.4 Ų128.479%0.78956%0.561SS**Hα-helixtrans-64.6-29.8179.8-92-177.1162.9-173.5-3113.2G187 R188 R194G187-R190 PolarHBondContact O-N 2.77Å; R188-R190 PolarHBondContact O-N 3.29Å; R190-R194 WeakPolarHBondContact O-CB 3.4Å; R190-R194 PolarHBondContact O-N 3.18Å
191K48.4Very low59.9Low174 Ų174130.3 Ų130.376%0.75757%0.57SS**Hα-helixtrans-75.4-38.1177-76.8-178.9179.2173.30112.3R188 R189 R194 S195R188-K191 PolarHBondContact O-N 3.19Å; R189-K191 VanDerWaalsContact C-N 3.29Å; R189-K191 PolarHBondContact O-N 3.36Å; K191-R194 PolarHBondContact O-N 3.25Å; K191-S195 PolarHBondContact O-N 2.97Å
192K47Very low57.8Low164 Ų164141.3 Ų141.371%0.71361%0.611SS**Hα-helixtrans-69.3-32.5-179.3-151.6176.1-174.6179.40113R189 S195R189-K192 PolarHBondContact O-N 3.28Å; K192-S195 PolarHBondContact O-OG 3.19Å; K192-S195 VanDerWaalsContact O-OG 3.05Å
193H49.5Very low55.9Low137 Ų137145 Ų14563%0.63463%0.625SS**Hα-helixtrans-78.9-25.7174.1-89.5-83.1000114.3R189 S197R189-H193 PolarHBondContact O-N 2.83Å; H193-S197 PolarHBondContact O-OG 3.36Å
194R46.7Very low54Low151 Ų151141.4 Ų141.457%0.5763%0.628SS**Hα-helixtrans-82.8-19.6-177.9-148.9177.4-169.6-174.75113.4R190 K191R190-R194 WeakPolarHBondContact O-CB 3.4Å; R190-R194 PolarHBondContact O-N 3.18Å; K191-R194 PolarHBondContact O-N 3.25Å
195S48.4Very low52Low81 Ų81148.6 Ų148.657%0.56665%0.651SS**Hα-helixtrans-75.7-25.8174.2580000112.8K191 K192K191-S195 PolarHBondContact O-N 2.97Å; K192-S195 PolarHBondContact O-OG 3.19Å; K192-S195 VanDerWaalsContact O-OG 3.05Å
196R49.8Very low50.1Low216 Ų216153.2 Ų153.282%0.81569%0.685SS**Hα-helixtrans-82-21.9177.1-89.7179.5165.1145.4-4114.9
197S48.4Very low48.6Very low89 Ų89158.6 Ų158.662%0.62271%0.71SS**Hα-helixtrans-97.1-12.4-177.242.30000114.5H193H193-S197 PolarHBondContact O-OG 3.36Å
198R46.7Very low47.3Very low167 Ų167164.3 Ų164.363%0.6373%0.734SS**SBendtrans-95.4-0.7-177.9-77.7-177.3167.4-178.9-5.7115.6
199S48.7Very low46.7Very low98 Ų98165.3 Ų165.369%0.68574%0.738SS**SBendtrans-87.8-0.5-176.553.20000115.1
200R48.8Very low46Very low243 Ų243173.4 Ų173.492%0.91777%0.769SS**SBendtrans-107.80.1-177.9-80.5-173.5176.6170.7-0.5117.3
201E46Very low45.6Very low184 Ų184175.7 Ų175.786%0.8678%0.778SS**SBendtrans-133.337.9-171.1-137.6179.2-166.100115.4
202R42.7Very low45Very low241 Ų241171.2 Ų171.291%0.90978%0.78SS**  trans-138.455.3169.6-70.8-169177.5-174-1.5113
203R46.2Very low44.8Very low245 Ų245170.5 Ų170.593%0.92578%0.784SS**  trans-137.887.8160.9-81.1-170.8177.3179.2-0.7110.3
204S45Very low44.4Very low111 Ų111175.5 Ų175.578%0.77680%0.798SS**  trans154.291.813462.60000111.3
205R41.3Very low44.1Very low254 Ų254175.8 Ų175.896%0.95881%0.805SS**  trans-154.172.3149.5-108.6174.3-172.4-1772.5107.3K207R205-K207 PolarHBondContact O-N 3.4Å
206S43.1Very low43.8Very low119 Ų119183.8 Ų183.883%0.83282%0.823SS**  trans-65.4124.6171.4-71.80000108.9D208S206-D208 PolarHBondContact O-N 3.03Å
207K46Very low43.5Very low171 Ų171184.1 Ų184.174%0.74383%0.825SS**  trans-53.7122.9162.6-87170.3166.4168.90109.3R205R205-K207 PolarHBondContact O-N 3.4Å
208D40.4Very low43.1Very low144 Ų144189.7 Ų189.777%0.7784%0.837SS**  trans-111.9105.8152.7-106.3-51.7000109.2S206S206-D208 PolarHBondContact O-N 3.03Å
209R43.9Very low42.8Very low212 Ų212186.5 Ų186.580%0.884%0.841SS**  trans-98.7112.1163.1-75.1179.3173.2173.2-5106.2
210R39.7Very low42.6Very low231 Ų231193.4 Ų193.487%0.87285%0.852SS**  trans-135.8122.9160.4-73.5-165.4178.5-148.3-0.8111.7
211R40.7Very low42.3Very low258 Ų258188.7 Ų188.797%0.97485%0.845SS**  trans-52.4146.9166.8-77.7172.1162.3-177.6-6.7111.1
212G36.7Very low42.3Very low79 Ų79191.7 Ų191.781%0.81485%0.848SS**  trans-166.393.5169.200000111.8
213D41.6Very low42.2Very low149 Ų149189.2 Ų189.280%0.79785%0.847SS**  trans-47.8137.6171-147.8-80.7000113.7
214R41Very low42Very low242 Ų242188.9 Ų188.991%0.91385%0.846SS**  trans-172.4108.9141.9-108.4169.1-174.1177.12.9112.9
215E40.2Very low41.8Very low157 Ų157188.7 Ų188.773%0.73485%0.845SS**  trans-53.4145158.2-60.6-171138.600112.6
216R43.8Very low41.6Very low250 Ų250179.9 Ų179.994%0.94383%0.833SS**  trans-158.4107.2135.6-114.2173.9-174-173.91.6111.8
217R41.8Very low41.5Very low223 Ų223185.3 Ų185.384%0.84284%0.835SS**  trans-55.2139.9161.7-63.9171172.7-178.6-3.5110.9
218K41.1Very low41.4Very low205 Ų205190.2 Ų190.289%0.89186%0.857SS**  -171.7123.5122.6-113.8175.9177.91770112.9
219S40.5Very low41.4Very low100 Ų100192.6 Ų192.670%0.69986%0.861SS**  trans-47.7143.5162178.40000113.2
220R43.2Very low41.3Very low244 Ų244191.5 Ų191.592%0.92186%0.864SS**  trans-172.9127.4130.4-105.5170.5-177.8-177.2-0.6112.4
221D43.1Very low41.4Very low144 Ų144189.3 Ų189.377%0.7786%0.864SS**  trans-39.6144.2161.7-58.6-79000114.2
222R45.3Very low41.4Very low247 Ų247185.3 Ų185.393%0.93286%0.858SS**  trans-166.5119.4130.6-108.7169.3-175.31760.5111.8
223E41.8Very low41.7Very low189 Ų189191.9 Ų191.988%0.88386%0.86SS**  trans-48.4143160.7-57.7168.812000112.3
224R41.6Very low41.7Very low238 Ų238194.8 Ų194.890%0.89886%0.864SS**  -175.6112.6128.1-117.3-174.1158.3-170.4-5.8113.1
225S41.8Very low41.7Very low107 Ų107191.4 Ų191.475%0.74886%0.861SS**  31.913412967.10000122.1
226G37.2Very low41.9Very low69 Ų69194.1 Ų194.171%0.71187%0.871SS**  trans129.597.2145.700000113.4
227R40.8Very low41.7Very low233 Ų233189.4 Ų189.488%0.87987%0.865SS**  39111.499.8-80.6-171.4179.7-167.20.2113.2
228F42.2Very low41.7Very low274 Ų274186.4 Ų186.4100%1.20287%0.867SS**  -154.6082.9-92.4-85000109.5

Retrieved 228 of 228 residues in 146.9 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).