A0A087YHS0_POEFO Loading...

Acyl-CoA-binding protein

AlphaFold DB , UniProt , Accession A0A087YHS0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 89 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.8Low89.8Confident223 Ų22378.8 Ų78.8100%1.09943%0.433SS*.  059.60-64.8-179.6-152.400109.9
2T66.9Low90.4Very high103 Ų10373.4 Ų73.463%0.63241%0.407SS*.  trans-125.9-37.2-175.744.70000111.7A6T2-A6 VanDerWaalsContact O-CB 3.27Å; T2-A6 WeakPolarHBondContact O-CB 3.27Å; T2-A6 PolarHBondContact O-N 3.37Å; T2-A6 VanDerWaalsContact O-N 3.17Å
3D90.1Very high90.9Very high115 Ų11571.8 Ų71.862%0.61541%0.409SS*.Hα-helixtrans-83.7-37.2-171.3-49-20.5000112.7A6 N7D3-A6 PolarHBondContact O-N 3.33Å; D3-N7 VanDerWaalsContact O-CB 3.32Å; D3-N7 WeakPolarHBondContact O-CB 3.43Å; D3-N7 PolarHBondContact O-N 3.44Å; D3-N7 PolarHBondContact O-ND2 3.23Å; D3-N7 PolarHBondContact O-OD1 3.45Å
4L95.8Very high91.1Very high44 Ų4470 Ų7023%0.2340%0.395CS..Hα-helixtrans-65-44.7177.818060.6000111.8N7 F8 D70 M73 K74 I77L4-N7 PolarHBondContact O-N 2.96Å; L4-F8 WeakPolarHBondContact O-CB 3.15Å; L4-F8 PolarHBondContact O-N 2.86Å; L4-D70 HydrophobicContact CD2-CB 3.8Å; L4-M73 HydrophobicContact CD1-CB 4.05Å; L4-M73 HydrophobicContact CD2-CB 4.29Å; L4-M73 HydrophobicContact CD2-SD 4.38Å; L4-M73 HydrophobicContact CG-CB 4.05Å; L4-M73 HydrophobicContact CG-SD 4.15Å; L4-K74 HydrophobicContact CD1-CG 3.78Å; L4-K74 HydrophobicContact CD2-CG 4.32Å; L4-I77 HydrophobicContact CD1-CD1 3.71Å
5Q95.8Very high91.4Very high74 Ų7466.9 Ų66.935%0.34638%0.378SS..Hα-helixtrans-64.3-45.4176.2-176.664.461.100110.8N7 F8 D9Q5-N7 PolarHBondContact O-N 2.95Å; Q5-F8 WeakPolarHBondContact O-CB 3.43Å; Q5-F8 PolarHBondContact O-N 3.07Å; Q5-D9 PolarHBondContact NE2-OD1 3.32Å; Q5-D9 PolarHBondContact O-N 3.26Å
6A96.8Very high91.4Very high47 Ų4773.8 Ų73.839%0.38840%0.403SS..Hα-helixtrans-59.7-44.7176.900000112T2 D3 F8 D9 V10T2-A6 VanDerWaalsContact O-CB 3.27Å; T2-A6 WeakPolarHBondContact O-CB 3.27Å; T2-A6 PolarHBondContact O-N 3.37Å; T2-A6 VanDerWaalsContact O-N 3.17Å; D3-A6 PolarHBondContact O-N 3.33Å; A6-F8 VanDerWaalsContact C-N 3.32Å; A6-F8 PolarHBondContact O-N 2.73Å; A6-D9 PolarHBondContact O-N 3.46Å; A6-V10 VanDerWaalsContact O-CG2 3.31Å; A6-V10 WeakPolarHBondContact O-CG2 3.4Å; A6-V10 PolarHBondContact O-N 2.84Å
7N97.2Very high91.5Very high92 Ų9276.7 Ų76.749%0.49241%0.413SS..Hα-helixtrans-64.1-37.5176.5-68.8-13.9000112D3 L4 Q5 A11 I77D3-N7 VanDerWaalsContact O-CB 3.32Å; D3-N7 WeakPolarHBondContact O-CB 3.43Å; D3-N7 PolarHBondContact O-N 3.44Å; D3-N7 PolarHBondContact O-ND2 3.23Å; D3-N7 PolarHBondContact O-OD1 3.45Å; L4-N7 PolarHBondContact O-N 2.96Å; Q5-N7 PolarHBondContact O-N 2.95Å; N7-A11 VanDerWaalsContact O-CB 3.32Å; N7-A11 WeakPolarHBondContact O-CB 3.35Å; N7-A11 PolarHBondContact O-N 3Å; N7-I77 HydrophobicContact CB-CD1 3.73Å; N7-I77 HydrophobicContact CB-CG1 4.46Å
8F97.9Very high91.6Very high2 Ų273.7 Ų73.71%0.00940%0.396CS..Hα-helixtrans-64.8-43.7174.8173.5-98000111.8L4 Q5 A6 A11 A12 F34 A37 T38 M73 Y76 I77L4-F8 WeakPolarHBondContact O-CB 3.15Å; L4-F8 PolarHBondContact O-N 2.86Å; Q5-F8 WeakPolarHBondContact O-CB 3.43Å; Q5-F8 PolarHBondContact O-N 3.07Å; A6-F8 VanDerWaalsContact C-N 3.32Å; A6-F8 PolarHBondContact O-N 2.73Å; F8-A11 PolarHBondContact O-N 2.67Å; F8-A12 WeakPolarHBondContact O-CB 3.39Å; F8-A12 PolarHBondContact O-N 2.81Å; F8-F34 HydrophobicContact CE1-CD2 4.05Å; F8-F34 AromaticContact CE1-CE2 3.86Å; F8-F34 HydrophobicContact CE1-CE2 3.86Å; F8-F34 HydrophobicContact CE2-CD2 4.14Å; F8-F34 AromaticContact CZ-CD2 3.36Å; F8-F34 HydrophobicContact CZ-CD2 3.36Å; F8-F34 AromaticContact CZ-CE2 3.66Å; F8-F34 HydrophobicContact CZ-CE2 3.66Å; F8-F34 HydrophobicContact CZ-CG 4.19Å; F8-A37 HydrophobicContact CE2-CB 3.74Å; F8-A37 HydrophobicContact CZ-CB 3.73Å; F8-T38 HydrophobicContact CE1-CG2 4.01Å; F8-T38 HydrophobicContact CZ-CG2 4.13Å; F8-M73 HydrophobicContact CB-CB 4.18Å; F8-M73 HydrophobicContact CB-CG 4.07Å; F8-M73 HydrophobicContact CB-SD 4.38Å; F8-M73 HydrophobicContact CD1-CG 4.39Å; F8-M73 HydrophobicContact CD2-CB 3.94Å; F8-M73 HydrophobicContact CD2-CG 3.73Å; F8-M73 HydrophobicContact CE2-CG 4.22Å; F8-M73 HydrophobicContact CG-CB 4.23Å; F8-M73 HydrophobicContact CG-CG 3.8Å; F8-M73 HydrophobicContact CG-SD 4.46Å; F8-Y76 AromaticContact CD2-CD1 3.55Å; F8-Y76 HydrophobicContact CD2-CD1 3.55Å; F8-Y76 HydrophobicContact CD2-CE1 4.27Å; F8-Y76 AromaticContact CD2-CG 3.97Å; F8-Y76 HydrophobicContact CD2-CG 3.97Å; F8-Y76 AromaticContact CE2-CD1 3.48Å; F8-Y76 HydrophobicContact CE2-CD1 3.48Å; F8-Y76 VanDerWaalsContact CE2-CD1 3.48Å; F8-Y76 HydrophobicContact CE2-CD2 4.25Å; F8-Y76 HydrophobicContact CE2-CE1 4.04Å; F8-Y76 AromaticContact CE2-CG 3.59Å; F8-Y76 HydrophobicContact CE2-CG 3.59Å; F8-I77 HydrophobicContact CB-CD1 4.18Å; F8-I77 HydrophobicContact CB-CG1 4.34Å
9D97.3Very high91.7Very high85 Ų8578.1 Ų78.146%0.45541%0.412SS..Hα-helixtrans-65.3-40.4178.3-65-23.7000111.3Q5 A6 A12 A13Q5-D9 PolarHBondContact NE2-OD1 3.32Å; Q5-D9 PolarHBondContact O-N 3.26Å; A6-D9 PolarHBondContact O-N 3.46Å; D9-A12 PolarHBondContact O-N 3.16Å; D9-A13 PolarHBondContact O-N 3.05Å
10V97.2Very high91.7Very high80 Ų8076.5 Ų76.549%0.48541%0.41SS..Hα-helixtrans-61-51172.4170.10000110.5A6 A12 A13 E14A6-V10 VanDerWaalsContact O-CG2 3.31Å; A6-V10 WeakPolarHBondContact O-CG2 3.4Å; A6-V10 PolarHBondContact O-N 2.84Å; V10-A12 VanDerWaalsContact C-N 3.27Å; V10-A12 PolarHBondContact O-N 2.89Å; V10-A13 WeakPolarHBondContact O-CA 3.47Å; V10-A13 WeakPolarHBondContact O-CB 3.36Å; V10-A13 PolarHBondContact O-N 3.37Å; V10-E14 HydrophobicContact CG1-CG 4.17Å; V10-E14 WeakPolarHBondContact O-CG 3.46Å; V10-E14 PolarHBondContact O-N 3.3Å
11A97.1Very high91.6Very high2 Ų279.8 Ų79.82%0.01742%0.421CS..Hα-helixtrans-58.3-39.9177.800000112N7 F8 A13 E14 V15 Y76 I77 V80N7-A11 VanDerWaalsContact O-CB 3.32Å; N7-A11 WeakPolarHBondContact O-CB 3.35Å; N7-A11 PolarHBondContact O-N 3Å; F8-A11 PolarHBondContact O-N 2.67Å; A11-A13 VanDerWaalsContact C-N 3.26Å; A11-A13 PolarHBondContact O-N 3Å; A11-E14 PolarHBondContact O-N 3.14Å; A11-V15 WeakPolarHBondContact O-CB 3.34Å; A11-V15 PolarHBondContact O-N 2.75Å; A11-Y76 HydrophobicContact CB-CD1 4.23Å; A11-Y76 HydrophobicContact CB-CE1 4.13Å; A11-I77 HydrophobicContact CB-CG1 4.07Å; A11-V80 HydrophobicContact CB-CB 4.03Å; A11-V80 HydrophobicContact CB-CG1 4.05Å; A11-V80 HydrophobicContact CB-CG2 4.11Å
12A96.8Very high93.5Very high14 Ų1470 Ų7012%0.11637%0.374CS..Hα-helixtrans-68.7-23.5177.200000113.3F8 D9 V10 K16 F34 Y76F8-A12 WeakPolarHBondContact O-CB 3.39Å; F8-A12 PolarHBondContact O-N 2.81Å; D9-A12 PolarHBondContact O-N 3.16Å; V10-A12 VanDerWaalsContact C-N 3.27Å; V10-A12 PolarHBondContact O-N 2.89Å; A12-K16 WeakPolarHBondContact O-CE 3.43Å; A12-F34 HydrophobicContact CB-CE2 4.15Å; A12-Y76 HydrophobicContact CB-CE1 4.04Å
13A96.4Very high94.9Very high52 Ų5267.5 Ų67.543%0.4336%0.36SS..Hα-helixtrans-79.6-46.817000000111.5D9 V10 A11 V15 K16D9-A13 PolarHBondContact O-N 3.05Å; V10-A13 WeakPolarHBondContact O-CA 3.47Å; V10-A13 WeakPolarHBondContact O-CB 3.36Å; V10-A13 PolarHBondContact O-N 3.37Å; A11-A13 VanDerWaalsContact C-N 3.26Å; A11-A13 PolarHBondContact O-N 3Å; A13-V15 PolarHBondContact O-N 2.87Å; A13-K16 WeakPolarHBondContact O-CB 2.94Å; A13-K16 PolarHBondContact O-N 3.33Å
14E94.8Very high95.2Very high47 Ų4767.2 Ų67.222%0.2236%0.359CS..Hα-helixtrans-64.8-36.3-177.9-71.8-176.9144.600113.1V10 A11 K16 Q17 V80 K84 I89V10-E14 HydrophobicContact CG1-CG 4.17Å; V10-E14 WeakPolarHBondContact O-CG 3.46Å; V10-E14 PolarHBondContact O-N 3.3Å; A11-E14 PolarHBondContact O-N 3.14Å; E14-K16 PolarHBondContact O-N 2.74Å; E14-Q17 WeakPolarHBondContact O-CA 3.49Å; E14-Q17 WeakPolarHBondContact O-CB 3.47Å; E14-Q17 PolarHBondContact O-N 3.32Å; E14-V80 HydrophobicContact CB-CG1 4.43Å; E14-K84 HydrophobicContact CB-CD 4.36Å; E14-K84 IonicContact OE1-NZ 3.28Å; E14-K84 PolarHBondContact OE1-NZ 2.94Å; E14-K84 VanDerWaalsContact OE1-NZ 3.14Å; E14-K84 IonicContact OE2-NZ 3.85Å; E14-K84 PolarHBondContact OE2-NZ 3.03Å; E14-I89 HydrophobicContact CB-CD1 3.85Å; E14-I89 HydrophobicContact CG-CD1 4.08Å
15V94.4Very high95.2Very high23 Ų2372.8 Ų72.814%0.13938%0.384CS..G310 helixtrans-59.3-24.917878.40000112.7A11 A13 Q17 L18 L30 Y76 V80A11-V15 WeakPolarHBondContact O-CB 3.34Å; A11-V15 PolarHBondContact O-N 2.75Å; A13-V15 PolarHBondContact O-N 2.87Å; V15-Q17 VanDerWaalsContact C-N 3.27Å; V15-L18 HydrophobicContact CG2-CD1 3.95Å; V15-L18 WeakPolarHBondContact O-CG 3.33Å; V15-L30 HydrophobicContact CG2-CD1 3.59Å; V15-L30 HydrophobicContact CG2-CD2 3.94Å; V15-L30 HydrophobicContact CG2-CG 4.43Å; V15-Y76 WeakPolarHBondContact CG1-OH 3.46Å; V15-V80 HydrophobicContact CB-CG1 4.24Å; V15-V80 HydrophobicContact CB-CG2 3.94Å; V15-V80 HydrophobicContact CG2-CG2 4.05Å
16K92.1Very high95.2Very high178 Ų17870.5 Ų70.577%0.77437%0.373SS*.G310 helixtrans-79-13.3176.9-59.3176.3-175.7171.30112.7A12 A13 E14A12-K16 WeakPolarHBondContact O-CE 3.43Å; A13-K16 WeakPolarHBondContact O-CB 2.94Å; A13-K16 PolarHBondContact O-N 3.33Å; E14-K16 PolarHBondContact O-N 2.74Å
17Q93.9Very high95.3Very high123 Ų12371.2 Ų71.258%0.57537%0.369SS*.G310 helixtrans-97.80.6-178.5-59.7-174.9-18.200112.7E14 V15 K19 I89E14-Q17 WeakPolarHBondContact O-CA 3.49Å; E14-Q17 WeakPolarHBondContact O-CB 3.47Å; E14-Q17 PolarHBondContact O-N 3.32Å; V15-Q17 VanDerWaalsContact C-N 3.27Å; Q17-K19 PolarHBondContact O-N 2.93Å; Q17-I89 HydrophobicContact CB-CD1 3.96Å; Q17-I89 HydrophobicContact CB-CG1 3.81Å
18L93.4Very high95.3Very high22 Ų2269.4 Ų69.412%0.11536%0.359CS..  trans-57.7132.3177.2-63.9176.4000111V15 A20 P22 L83 K84 H87 G88V15-L18 HydrophobicContact CG2-CD1 3.95Å; V15-L18 WeakPolarHBondContact O-CG 3.33Å; L18-A20 VanDerWaalsContact C-N 3.31Å; L18-A20 PolarHBondContact O-N 2.84Å; L18-P22 HydrophobicContact CD1-CG 3.82Å; L18-L83 HydrophobicContact CD1-CB 3.89Å; L18-K84 HydrophobicContact CD2-CB 4.4Å; L18-K84 HydrophobicContact CD2-CG 3.91Å; L18-H87 HydrophobicContact CB-CB 4.43Å; L18-H87 HydrophobicContact CD2-CB 4.44Å; L18-G88 WeakPolarHBondContact CA-O 3.37Å
19K92.2Very high95.3Very high158 Ų15872.6 Ų72.669%0.68738%0.376SS*.SBendtrans-69.8-29.1-176.9-73.1172.3172144.10113Q17 G88 I89Q17-K19 PolarHBondContact O-N 2.93Å; K19-G88 PolarHBondContact N-O 3.05Å; K19-I89 VanDerWaalsContact CE-OXT 3.27Å; K19-I89 WeakPolarHBondContact CE-OXT 3.43Å; K19-I89 VanDerWaalsContact NZ-C 3.33Å; K19-I89 PolarHBondContact NZ-O 3.46Å; K19-I89 PolarHBondContact NZ-OXT 2.81Å
20A92.1Very high95.4Very high45 Ų4569.4 Ų69.437%0.37236%0.359SS..SBendtrans-116.8146.4175.400000110.8L18 P22 H87L18-A20 VanDerWaalsContact C-N 3.31Å; L18-A20 PolarHBondContact O-N 2.84Å; A20-P22 WeakPolarHBondContact O-CD 3.42Å; A20-H87 HydrophobicContact CB-CB 4.07Å
21K90.5Very high95.4Very high147 Ų14768.9 Ų68.964%0.63935%0.349SS*.PPolyproline II helixtrans-67.7127175.2-173.4-169.6165.3-1670109.1D24 M27K21-D24 IonicContact NZ-OD1 3.99Å; K21-M27 WeakPolarHBondContact CE-SD 3.46Å; K21-M27 HydrophobicContact CG-SD 4.36Å
22P94.6Very high95.5Very high17 Ų1768.9 Ų68.911%0.1135%0.348CS..PPolyproline II helixtrans-59.1160.4171.1-2434.9000112.7L18 A20 E26 M27 L83L18-P22 HydrophobicContact CD1-CG 3.82Å; A20-P22 WeakPolarHBondContact O-CD 3.42Å; P22-E26 WeakPolarHBondContact CA-OE2 3.33Å; P22-E26 HydrophobicContact CB-CB 3.71Å; P22-E26 WeakPolarHBondContact CB-OE2 3.39Å; P22-M27 HydrophobicContact CB-CG 4.09Å; P22-L83 HydrophobicContact CB-CD2 4.45Å; P22-L83 HydrophobicContact CG-CD1 4.46Å
23S96.1Very high95.6Very high51 Ų5168.4 Ų68.436%0.35734%0.344SS..PPolyproline II helixtrans-61.8159.7172.678.40000111E25 E26 M27S23-E25 PolarHBondContact O-N 3.36Å; S23-E26 PolarHBondContact N-OE2 3.27Å; S23-E26 PolarHBondContact O-N 3.23Å; S23-E26 VanDerWaalsContact O-N 3.14Å; S23-E26 VanDerWaalsContact OG-CG 3.29Å; S23-E26 WeakPolarHBondContact OG-CG 3.32Å; S23-E26 PolarHBondContact OG-N 3.49Å; S23-E26 VanDerWaalsContact OG-N 3.15Å; S23-M27 WeakPolarHBondContact O-CG 3.43Å; S23-M27 PolarHBondContact O-N 3.09Å
24D96Very high95.7Very high108 Ų10869.6 Ų69.658%0.57834%0.339SS*.Hα-helixtrans-59.9-34.2177.7-69.8-19.3000111.9K21 M27 L28K21-D24 IonicContact NZ-OD1 3.99Å; D24-M27 HydrophobicContact CB-CE 4.32Å; D24-M27 PolarHBondContact O-N 3.47Å; D24-M27 WeakPolarHBondContact OD1-CE 3.38Å; D24-L28 WeakPolarHBondContact O-CB 3.39Å; D24-L28 VanDerWaalsContact O-CG 3.26Å; D24-L28 WeakPolarHBondContact O-CG 3.5Å; D24-L28 PolarHBondContact O-N 3.34Å
25E96.3Very high95.9Very high161 Ų16169.8 Ų69.875%0.75234%0.339SS*.Hα-helixtrans-65.4-45.4174.2-64.3-179.8170.500112.2S23 M27 L28 L29S23-E25 PolarHBondContact O-N 3.36Å; E25-M27 VanDerWaalsContact C-N 3.34Å; E25-M27 PolarHBondContact O-N 3.3Å; E25-L28 PolarHBondContact O-N 2.83Å; E25-L29 WeakPolarHBondContact O-CB 3.5Å; E25-L29 PolarHBondContact O-N 3.34Å
26E97.1Very high96.1Very high26 Ų2668.7 Ų68.712%0.12133%0.333CS..Hα-helixtrans-62-42.4176.3-71166.7167.900110.9P22 S23 L29 L30 L83 K86 H87P22-E26 WeakPolarHBondContact CA-OE2 3.33Å; P22-E26 HydrophobicContact CB-CB 3.71Å; P22-E26 WeakPolarHBondContact CB-OE2 3.39Å; S23-E26 PolarHBondContact N-OE2 3.27Å; S23-E26 PolarHBondContact O-N 3.23Å; S23-E26 VanDerWaalsContact O-N 3.14Å; S23-E26 VanDerWaalsContact OG-CG 3.29Å; S23-E26 WeakPolarHBondContact OG-CG 3.32Å; S23-E26 PolarHBondContact OG-N 3.49Å; S23-E26 VanDerWaalsContact OG-N 3.15Å; E26-L29 PolarHBondContact O-N 2.93Å; E26-L30 WeakPolarHBondContact O-CB 3.39Å; E26-L30 WeakPolarHBondContact O-CG 3.35Å; E26-L30 PolarHBondContact O-N 3.4Å; E26-L83 HydrophobicContact CB-CD2 4.04Å; E26-L83 HydrophobicContact CG-CD2 3.77Å; E26-L83 WeakPolarHBondContact OE2-CD2 3.3Å; E26-K86 IonicContact OE1-NZ 2.89Å; E26-K86 PolarHBondContact OE1-NZ 2.68Å; E26-H87 IonicContact OE1-NE2 3.72Å; E26-H87 IonicContact OE2-CE1 3.7Å; E26-H87 IonicContact OE2-NE2 2.64Å; E26-H87 PolarHBondContact OE2-NE2 3.45Å
27M97.3Very high96.4Very high63 Ų6360.3 Ų60.331%0.3130%0.296SS..Hα-helixtrans-64.5-40.3176.1-70.9-166.9-63.700112.7K21 P22 S23 D24 E25 L29 Y31K21-M27 WeakPolarHBondContact CE-SD 3.46Å; K21-M27 HydrophobicContact CG-SD 4.36Å; P22-M27 HydrophobicContact CB-CG 4.09Å; S23-M27 WeakPolarHBondContact O-CG 3.43Å; S23-M27 PolarHBondContact O-N 3.09Å; D24-M27 HydrophobicContact CB-CE 4.32Å; D24-M27 PolarHBondContact O-N 3.47Å; D24-M27 WeakPolarHBondContact OD1-CE 3.38Å; E25-M27 VanDerWaalsContact C-N 3.34Å; E25-M27 PolarHBondContact O-N 3.3Å; M27-L29 VanDerWaalsContact C-N 3.35Å; M27-Y31 WeakPolarHBondContact O-CB 3.25Å; M27-Y31 PolarHBondContact O-N 3.06Å
28L98.3Very high96.6Very high53 Ų5357 Ų5728%0.27729%0.285SS..Hα-helixtrans-66.5-38.5176.1-74.7172.1000111.4D24 E25 Y31 S32 A56 K57 A60D24-L28 WeakPolarHBondContact O-CB 3.39Å; D24-L28 VanDerWaalsContact O-CG 3.26Å; D24-L28 WeakPolarHBondContact O-CG 3.5Å; D24-L28 PolarHBondContact O-N 3.34Å; E25-L28 PolarHBondContact O-N 2.83Å; L28-Y31 PolarHBondContact O-N 2.96Å; L28-S32 WeakPolarHBondContact O-CB 3.42Å; L28-S32 PolarHBondContact O-N 2.91Å; L28-S32 PolarHBondContact O-OG 3.04Å; L28-A56 HydrophobicContact CD1-CB 4.22Å; L28-A56 HydrophobicContact CD2-CB 4.01Å; L28-K57 HydrophobicContact CD2-CB 4.5Å; L28-K57 HydrophobicContact CD2-CG 3.89Å; L28-A60 HydrophobicContact CB-CB 4.2Å; L28-A60 HydrophobicContact CD2-CB 4.45Å
29L98.2Very high96.8Very high70 Ų7058.7 Ų58.737%0.36630%0.296SS..Hα-helixtrans-67.1-47.6176.5-172.359.3000111.3E25 E26 M27 Y31 S32 L33 L79E25-L29 WeakPolarHBondContact O-CB 3.5Å; E25-L29 PolarHBondContact O-N 3.34Å; E26-L29 PolarHBondContact O-N 2.93Å; M27-L29 VanDerWaalsContact C-N 3.35Å; L29-Y31 VanDerWaalsContact C-N 3.31Å; L29-Y31 PolarHBondContact O-N 3.29Å; L29-S32 WeakPolarHBondContact CA-OG 3.45Å; L29-S32 PolarHBondContact O-N 3.48Å; L29-S32 PolarHBondContact O-OG 3.49Å; L29-L33 HydrophobicContact CD1-CD1 4.06Å; L29-L33 HydrophobicContact CD1-CG 4.14Å; L29-L33 HydrophobicContact CG-CD1 3.96Å; L29-L33 HydrophobicContact CG-CG 4.45Å; L29-L33 WeakPolarHBondContact O-CB 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.01Å; L29-L79 HydrophobicContact CB-CD2 4.01Å; L29-L79 HydrophobicContact CD2-CD1 4.23Å; L29-L79 HydrophobicContact CD2-CD2 3.72Å; L29-L79 HydrophobicContact CG-CD2 3.65Å
30L98.3Very high97.1Very high17 Ų1751.6 Ų51.69%0.08927%0.268CS..Hα-helixtrans-53.4-48.4172.1-77.4169.1000111.5V15 E26 F34 Y76 L79 V80 L83V15-L30 HydrophobicContact CG2-CD1 3.59Å; V15-L30 HydrophobicContact CG2-CD2 3.94Å; V15-L30 HydrophobicContact CG2-CG 4.43Å; E26-L30 WeakPolarHBondContact O-CB 3.39Å; E26-L30 WeakPolarHBondContact O-CG 3.35Å; E26-L30 PolarHBondContact O-N 3.4Å; L30-F34 WeakPolarHBondContact O-CB 3.42Å; L30-F34 PolarHBondContact O-N 2.97Å; L30-Y76 HydrophobicContact CB-CE2 4.2Å; L30-Y76 HydrophobicContact CD2-CD2 4.07Å; L30-Y76 HydrophobicContact CD2-CE2 3.55Å; L30-Y76 WeakPolarHBondContact O-CE2 3.46Å; L30-L79 HydrophobicContact CD2-CD2 3.78Å; L30-L79 HydrophobicContact CD2-CG 4.09Å; L30-L79 HydrophobicContact CG-CD2 3.83Å; L30-L79 HydrophobicContact CG-CG 4.42Å; L30-V80 HydrophobicContact CD2-CG2 3.79Å; L30-L83 HydrophobicContact CD1-CD1 3.58Å; L30-L83 HydrophobicContact CD2-CD1 4.06Å; L30-L83 HydrophobicContact CG-CD1 3.95Å
31Y98.3Very high97.4Very high70 Ų7052.9 Ų52.928%0.27527%0.268SS..Hα-helixtrans-59.4-51.6178.7173.5-92.8000111.7M27 L28 L29 F34 K35 K57 W61M27-Y31 WeakPolarHBondContact O-CB 3.25Å; M27-Y31 PolarHBondContact O-N 3.06Å; L28-Y31 PolarHBondContact O-N 2.96Å; L29-Y31 VanDerWaalsContact C-N 3.31Å; L29-Y31 PolarHBondContact O-N 3.29Å; Y31-F34 PolarHBondContact O-N 3.48Å; Y31-K35 HydrophobicContact CD1-CG 4.17Å; Y31-K35 HydrophobicContact CD2-CG 4.21Å; Y31-K35 HydrophobicContact CE1-CG 3.68Å; Y31-K35 HydrophobicContact CE2-CD 4Å; Y31-K35 HydrophobicContact CE2-CG 3.77Å; Y31-K35 HydrophobicContact CG-CG 4.4Å; Y31-K35 VanDerWaalsContact CZ-CG 3.48Å; Y31-K35 WeakPolarHBondContact O-CB 3.31Å; Y31-K35 VanDerWaalsContact O-CG 3.28Å; Y31-K35 WeakPolarHBondContact O-CG 3.42Å; Y31-K35 PolarHBondContact O-N 3.26Å; Y31-K57 HydrophobicContact CD1-CB 3.79Å; Y31-K57 HydrophobicContact CD1-CD 4.46Å; Y31-K57 HydrophobicContact CD1-CG 3.9Å; Y31-K57 HydrophobicContact CD2-CD 4.12Å; Y31-K57 HydrophobicContact CD2-CG 4.38Å; Y31-K57 HydrophobicContact CE1-CB 3.49Å; Y31-K57 VanDerWaalsContact CE1-CB 3.49Å; Y31-K57 HydrophobicContact CE1-CD 4.39Å; Y31-K57 HydrophobicContact CE1-CG 4.01Å; Y31-K57 VanDerWaalsContact CE1-O 3.26Å; Y31-K57 WeakPolarHBondContact CE1-O 3.32Å; Y31-K57 HydrophobicContact CE2-CD 4.01Å; Y31-K57 HydrophobicContact CE2-CG 4.45Å; Y31-K57 HydrophobicContact CG-CB 4.46Å; Y31-K57 HydrophobicContact CG-CD 4.34Å; Y31-K57 HydrophobicContact CG-CG 4.1Å; Y31-W61 HydrophobicContact CE1-CB 4.32Å
32S98.6Very high97.7Very high2 Ų246.7 Ų46.71%0.01424%0.243CC..Hα-helixtrans-64.4-43.7-175.757.70000113.1L28 L29 K35 Q36 A60L28-S32 WeakPolarHBondContact O-CB 3.42Å; L28-S32 PolarHBondContact O-N 2.91Å; L28-S32 PolarHBondContact O-OG 3.04Å; L29-S32 WeakPolarHBondContact CA-OG 3.45Å; L29-S32 PolarHBondContact O-N 3.48Å; L29-S32 PolarHBondContact O-OG 3.49Å; S32-K35 PolarHBondContact O-N 3.14Å; S32-Q36 WeakPolarHBondContact O-CB 3.18Å; S32-Q36 PolarHBondContact O-N 3.33Å; S32-A60 WeakPolarHBondContact CB-O 3.32Å
33L98.7Very high97.9Very high3 Ų351.4 Ų51.42%0.01627%0.267CS..Hα-helixtrans-64.3-42.5175-69.9173.8000111.5L29 K35 Q36 A37 E75 Y76 L79L29-L33 HydrophobicContact CD1-CD1 4.06Å; L29-L33 HydrophobicContact CD1-CG 4.14Å; L29-L33 HydrophobicContact CG-CD1 3.96Å; L29-L33 HydrophobicContact CG-CG 4.45Å; L29-L33 WeakPolarHBondContact O-CB 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.01Å; L33-K35 PolarHBondContact O-N 3.33Å; L33-Q36 PolarHBondContact O-N 2.9Å; L33-A37 VanDerWaalsContact O-CB 3.23Å; L33-A37 WeakPolarHBondContact O-CB 3.38Å; L33-A37 PolarHBondContact O-N 3.28Å; L33-E75 HydrophobicContact CD1-CB 4.01Å; L33-E75 HydrophobicContact CD2-CB 3.96Å; L33-E75 WeakPolarHBondContact CD2-OE2 3.38Å; L33-Y76 HydrophobicContact CB-CD2 4.02Å; L33-L79 HydrophobicContact CD1-CD2 4.11Å
34F98.6Very high97.9Very high78 Ų7852.6 Ų52.634%0.34227%0.272SS..Hα-helixtrans-62-43.7176.6-176.6-89.5000111.8F8 A12 L30 Y31 A37 T38 Y76F8-F34 HydrophobicContact CE1-CD2 4.05Å; F8-F34 AromaticContact CE1-CE2 3.86Å; F8-F34 HydrophobicContact CE1-CE2 3.86Å; F8-F34 HydrophobicContact CE2-CD2 4.14Å; F8-F34 AromaticContact CZ-CD2 3.36Å; F8-F34 HydrophobicContact CZ-CD2 3.36Å; F8-F34 AromaticContact CZ-CE2 3.66Å; F8-F34 HydrophobicContact CZ-CE2 3.66Å; F8-F34 HydrophobicContact CZ-CG 4.19Å; A12-F34 HydrophobicContact CB-CE2 4.15Å; L30-F34 WeakPolarHBondContact O-CB 3.42Å; L30-F34 PolarHBondContact O-N 2.97Å; Y31-F34 PolarHBondContact O-N 3.48Å; F34-A37 PolarHBondContact O-N 2.87Å; F34-T38 HydrophobicContact CD1-CG2 4.35Å; F34-T38 HydrophobicContact CE1-CG2 3.96Å; F34-T38 HydrophobicContact CE2-CG2 4.2Å; F34-T38 HydrophobicContact CZ-CG2 3.87Å; F34-T38 WeakPolarHBondContact O-CB 3.48Å; F34-T38 WeakPolarHBondContact O-CG2 3.08Å; F34-T38 PolarHBondContact O-N 2.86Å; F34-T38 PolarHBondContact O-OG1 3.26Å; F34-Y76 HydrophobicContact CB-CD2 4.2Å; F34-Y76 HydrophobicContact CB-CE2 3.86Å; F34-Y76 HydrophobicContact CD2-CE2 4.28Å
35K98.6Very high98Very high50 Ų5051.9 Ų51.922%0.21728%0.281CS..Hα-helixtrans-64.4-43.8177-71.5-61.3-60.2-179.70111.8Y31 S32 L33 T38 V39 G40 W61Y31-K35 HydrophobicContact CD1-CG 4.17Å; Y31-K35 HydrophobicContact CD2-CG 4.21Å; Y31-K35 HydrophobicContact CE1-CG 3.68Å; Y31-K35 HydrophobicContact CE2-CD 4Å; Y31-K35 HydrophobicContact CE2-CG 3.77Å; Y31-K35 HydrophobicContact CG-CG 4.4Å; Y31-K35 VanDerWaalsContact CZ-CG 3.48Å; Y31-K35 WeakPolarHBondContact O-CB 3.31Å; Y31-K35 VanDerWaalsContact O-CG 3.28Å; Y31-K35 WeakPolarHBondContact O-CG 3.42Å; Y31-K35 PolarHBondContact O-N 3.26Å; S32-K35 PolarHBondContact O-N 3.14Å; L33-K35 PolarHBondContact O-N 3.33Å; K35-T38 PolarHBondContact O-N 3.44Å; K35-T38 PolarHBondContact O-OG1 2.91Å; K35-V39 WeakPolarHBondContact O-CA 3.26Å; K35-V39 WeakPolarHBondContact O-CB 3.46Å; K35-V39 PolarHBondContact O-N 3.15Å; K35-G40 PolarHBondContact O-N 2.85Å; K35-W61 HydrophobicContact CB-CB 4.48Å; K35-W61 HydrophobicContact CB-CD2 3.56Å; K35-W61 HydrophobicContact CB-CE3 4.18Å; K35-W61 HydrophobicContact CB-CG 3.68Å; K35-W61 HydrophobicContact CB-CZ2 4.2Å; K35-W61 VanDerWaalsContact CE-CH2 3.5Å; K35-W61 VanDerWaalsContact CE-CZ3 3.4Å; K35-W61 HydrophobicContact CG-CD2 4.12Å; K35-W61 HydrophobicContact CG-CE3 4.27Å; K35-W61 HydrophobicContact CG-CG 4.39Å
36Q98.7Very high98Very high1 Ų149.6 Ų49.61%0.00527%0.266CS..Hα-helixtrans-65.8-40.5177.1-167.567.415.900112S32 L33 T38 G40 D41 Q64 K67 S72S32-Q36 WeakPolarHBondContact O-CB 3.18Å; S32-Q36 PolarHBondContact O-N 3.33Å; L33-Q36 PolarHBondContact O-N 2.9Å; Q36-T38 PolarHBondContact O-N 3.45Å; Q36-G40 WeakPolarHBondContact O-CA 3.33Å; Q36-G40 PolarHBondContact O-N 3.32Å; Q36-G40 VanDerWaalsContact OE1-C 3.26Å; Q36-G40 PolarHBondContact OE1-O 3.36Å; Q36-D41 PolarHBondContact NE2-OD1 2.93Å; Q36-Q64 HydrophobicContact CB-CB 3.94Å; Q36-Q64 HydrophobicContact CG-CB 3.93Å; Q36-Q64 PolarHBondContact NE2-O 2.71Å; Q36-K67 HydrophobicContact CG-CB 4.15Å; Q36-K67 PolarHBondContact NE2-O 3.38Å; Q36-S72 WeakPolarHBondContact CB-OG 3.46Å; Q36-S72 WeakPolarHBondContact CG-OG 3.43Å
37A98.4Very high98Very high1 Ų150.1 Ų50.11%0.00827%0.271CS..Hα-helixtrans-63.7-38.8176.700000113.1F8 L33 F34 K69 M73F8-A37 HydrophobicContact CE2-CB 3.74Å; F8-A37 HydrophobicContact CZ-CB 3.73Å; L33-A37 VanDerWaalsContact O-CB 3.23Å; L33-A37 WeakPolarHBondContact O-CB 3.38Å; L33-A37 PolarHBondContact O-N 3.28Å; F34-A37 PolarHBondContact O-N 2.87Å; A37-K69 WeakPolarHBondContact O-CD 3.5Å; A37-K69 WeakPolarHBondContact O-CG 3.24Å; A37-M73 HydrophobicContact CB-CE 4.41Å; A37-M73 HydrophobicContact CB-CG 3.67Å
38T98Very high97.9Very high55 Ų5549.6 Ų49.634%0.33728%0.282SS..Hα-helixtrans-91.8-49-173.8530000112.6F8 F34 K35 Q36 K69F8-T38 HydrophobicContact CE1-CG2 4.01Å; F8-T38 HydrophobicContact CZ-CG2 4.13Å; F34-T38 HydrophobicContact CD1-CG2 4.35Å; F34-T38 HydrophobicContact CE1-CG2 3.96Å; F34-T38 HydrophobicContact CE2-CG2 4.2Å; F34-T38 HydrophobicContact CZ-CG2 3.87Å; F34-T38 WeakPolarHBondContact O-CB 3.48Å; F34-T38 WeakPolarHBondContact O-CG2 3.08Å; F34-T38 PolarHBondContact O-N 2.86Å; F34-T38 PolarHBondContact O-OG1 3.26Å; K35-T38 PolarHBondContact O-N 3.44Å; K35-T38 PolarHBondContact O-OG1 2.91Å; Q36-T38 PolarHBondContact O-N 3.45Å; T38-K69 PolarHBondContact O-NZ 3.4Å
39V98.3Very high97.4Very high57 Ų5754.3 Ų54.335%0.34530%0.304SS..THydrogen-bonded Turntrans-92.4-38.7-175.9-175.50000111.1K35 W61K35-V39 WeakPolarHBondContact O-CA 3.26Å; K35-V39 WeakPolarHBondContact O-CB 3.46Å; K35-V39 PolarHBondContact O-N 3.15Å; V39-W61 HydrophobicContact CB-CH2 4.17Å; V39-W61 HydrophobicContact CB-CZ2 3.71Å; V39-W61 HydrophobicContact CG1-CH2 3.88Å; V39-W61 HydrophobicContact CG1-CZ2 3.69Å; V39-W61 HydrophobicContact CG2-CH2 4.46Å; V39-W61 HydrophobicContact CG2-CZ2 4.35Å
40G97.8Very high97.3Very high9 Ų958.6 Ų58.69%0.09333%0.327CS..  trans93.8-153.5-164.700000110.4K35 Q36 W61K35-G40 PolarHBondContact O-N 2.85Å; Q36-G40 WeakPolarHBondContact O-CA 3.33Å; Q36-G40 PolarHBondContact O-N 3.32Å; Q36-G40 VanDerWaalsContact OE1-C 3.26Å; Q36-G40 PolarHBondContact OE1-O 3.36Å; G40-W61 WeakPolarHBondContact O-CZ2 3.34Å; G40-W61 PolarHBondContact O-NE1 3.43Å
41D98.6Very high97.2Very high71 Ų7161.5 Ų61.538%0.3834%0.343SS..SBendtrans-53.2142.1179.9-71.1-6.2000112.3Q36 N43 K65 G66Q36-D41 PolarHBondContact NE2-OD1 2.93Å; D41-N43 PolarHBondContact O-N 2.96Å; D41-K65 HydrophobicContact CB-CG 4.1Å; D41-K65 WeakPolarHBondContact OD1-CA 3.33Å; D41-G66 PolarHBondContact OD1-N 3.47Å
42V97.6Very high97.1Very high17 Ų1765.3 Ų65.310%0.10336%0.361CS..  trans-57.7131.9178.157.40000111.6W58 W61 E62V42-W58 HydrophobicContact CG1-CZ2 4.45Å; V42-W58 HydrophobicContact CG2-CD2 4.48Å; V42-W58 HydrophobicContact CG2-CZ2 4.1Å; V42-W58 VanDerWaalsContact CG2-NE1 3.34Å; V42-W61 VanDerWaalsContact CA-CZ2 3.47Å; V42-W61 HydrophobicContact CB-CD2 3.61Å; V42-W61 HydrophobicContact CB-CE3 3.85Å; V42-W61 HydrophobicContact CB-CG 4Å; V42-W61 HydrophobicContact CB-CH2 4.31Å; V42-W61 HydrophobicContact CB-CZ2 4.1Å; V42-W61 HydrophobicContact CB-CZ3 4.19Å; V42-W61 HydrophobicContact CG2-CD2 3.91Å; V42-W61 HydrophobicContact CG2-CE3 3.59Å; V42-W61 HydrophobicContact CG2-CH2 4.28Å; V42-W61 HydrophobicContact CG2-CZ3 3.79Å; V42-E62 HydrophobicContact CG1-CB 3.9Å; V42-E62 HydrophobicContact CG1-CG 4.34Å; V42-E62 WeakPolarHBondContact CG1-OE2 3.36Å
43N97.4Very high96.9Very high116 Ų11669.7 Ų69.762%0.6239%0.388SS*.  trans-130.814.1-169.365-4.7000112.9D41D41-N43 PolarHBondContact O-N 2.96Å
44T96.9Very high96.8Very high77 Ų7770.4 Ų70.447%0.47240%0.395SS..SBendtrans-115.2155.8177.465.70000110.6W58T44-W58 PolarHBondContact O-NE1 3.4Å; T44-W58 PolarHBondContact OG1-NE1 2.94Å
45A97.4Very high96.7Very high92 Ų9269.3 Ų69.376%0.7639%0.391SS*.PPolyproline II helixtrans-61.4147.3169.600000110.9W58A45-W58 PolarHBondContact O-NE1 2.97Å
46R96.8Very high96.7Very high114 Ų11468.5 Ų68.543%0.4339%0.394SS..PPolyproline II helixtrans-67.7131.1175.4-174.4171.8-174.4-11716110.5W58 D59R46-W58 HydrophobicContact CB-CD2 3.77Å; R46-W58 HydrophobicContact CB-CE3 3.86Å; R46-W58 HydrophobicContact CB-CG 4.42Å; R46-W58 HydrophobicContact CB-CH2 4.06Å; R46-W58 HydrophobicContact CB-CZ2 3.92Å; R46-W58 HydrophobicContact CB-CZ3 4.02Å; R46-W58 HydrophobicContact CG-CD2 3.73Å; R46-W58 HydrophobicContact CG-CE3 3.51Å; R46-W58 HydrophobicContact CG-CG 4.28Å; R46-W58 HydrophobicContact CG-CH2 4.46Å; R46-W58 HydrophobicContact CG-CZ3 3.92Å; R46-D59 IonicContact CZ-OD1 2.75Å; R46-D59 VanDerWaalsContact CZ-OD1 3.28Å; R46-D59 IonicContact CZ-OD2 3.14Å; R46-D59 IonicContact NE-OD1 2.68Å; R46-D59 PolarHBondContact NE-OD1 2.94Å; R46-D59 IonicContact NE-OD2 2.69Å; R46-D59 VanDerWaalsContact NH2-CG 3.29Å; R46-D59 IonicContact NH2-OD1 3.4Å; R46-D59 PolarHBondContact NH2-OD1 3.03Å; R46-D59 IonicContact NH2-OD2 3Å; R46-D59 PolarHBondContact NH2-OD2 3.17Å
47P96.9Very high96.7Very high36 Ų3672.5 Ų72.523%0.23441%0.411CS..PPolyproline II helixtrans-57.5153.4177.4-28.838.3000113.8D51 W58P47-D51 HydrophobicContact CB-CB 4.21Å; P47-W58 HydrophobicContact CG-CB 4.24Å
48G95.1Very high96.7Very high52 Ų5274.2 Ų74.254%0.53642%0.417SS..PPolyproline II helixtrans-66.5163.5-179.200000113.6L50 D51G48-L50 PolarHBondContact O-N 2.92Å; G48-D51 PolarHBondContact O-N 2.88Å
49M89.3Confident96.7Very high152 Ų15273.8 Ų73.875%0.74941%0.413SS*.THydrogen-bonded Turntrans-62.4-19.8-171.5-69.5-169.1-93.200115.5F52M49-F52 WeakPolarHBondContact O-CE1 3.14Å
50L95.6Very high96.7Very high160 Ų16071.7 Ų71.784%0.83840%0.401SS*.THydrogen-bonded Turntrans-87.5-15.1178.7-57.5179.6000113.1G48 F52G48-L50 PolarHBondContact O-N 2.92Å; L50-F52 PolarHBondContact O-N 3.48Å
51D96Very high96.7Very high79 Ų7971.5 Ų71.542%0.42240%0.398SS..  trans-93.676.9174.318010.1000110P47 G48 T53 G54 K55P47-D51 HydrophobicContact CB-CB 4.21Å; G48-D51 PolarHBondContact O-N 2.88Å; D51-T53 VanDerWaalsContact C-N 3.33Å; D51-T53 PolarHBondContact O-N 3.24Å; D51-G54 WeakPolarHBondContact OD1-CA 3.47Å; D51-G54 PolarHBondContact OD1-N 2.93Å; D51-G54 WeakPolarHBondContact OD2-CA 3.41Å; D51-K55 WeakPolarHBondContact O-CB 3.39Å; D51-K55 PolarHBondContact O-N 3.24Å
52F94.9Very high96.7Very high149 Ų14971 Ų7165%0.65439%0.393SS*.Hα-helixtrans-60.9-40.6-176.5-60.3-72.4000112.7M49 L50 A56M49-F52 WeakPolarHBondContact O-CE1 3.14Å; L50-F52 PolarHBondContact O-N 3.48Å; F52-A56 WeakPolarHBondContact O-CB 3.49Å; F52-A56 PolarHBondContact O-N 3.41Å
53T94.8Very high96.8Very high95 Ų9578.3 Ų78.358%0.58342%0.424SS*.Hα-helixtrans-71.8-46.7-178.5-56.30000111.8D51 K55 A56 K57D51-T53 VanDerWaalsContact C-N 3.33Å; D51-T53 PolarHBondContact O-N 3.24Å; T53-K55 VanDerWaalsContact C-N 3.32Å; T53-K55 PolarHBondContact O-N 2.91Å; T53-A56 PolarHBondContact O-N 3.44Å; T53-K57 PolarHBondContact O-N 3.38Å
54G96.9Very high96.8Very high17 Ų1774 Ų7418%0.17540%0.4CS..Hα-helixtrans-62.1-42.5176.300000111.2D51 K57 W58D51-G54 WeakPolarHBondContact OD1-CA 3.47Å; D51-G54 PolarHBondContact OD1-N 2.93Å; D51-G54 WeakPolarHBondContact OD2-CA 3.41Å; G54-K57 PolarHBondContact O-N 3.02Å; G54-W58 WeakPolarHBondContact O-CB 3.27Å; G54-W58 PolarHBondContact O-N 3.48Å
55K97.7Very high96.9Very high55 Ų5575.8 Ų75.824%0.23940%0.401CS..Hα-helixtrans-59.2-47174.7-177.8-176.2177.1-172.50112D51 T53 K57 W58 D59D51-K55 WeakPolarHBondContact O-CB 3.39Å; D51-K55 PolarHBondContact O-N 3.24Å; T53-K55 VanDerWaalsContact C-N 3.32Å; T53-K55 PolarHBondContact O-N 2.91Å; K55-K57 PolarHBondContact O-N 3.48Å; K55-W58 PolarHBondContact O-N 3.37Å; K55-D59 WeakPolarHBondContact O-CB 3.44Å; K55-D59 PolarHBondContact O-N 2.92Å
56A97.8Very high96.9Very high34 Ų3474.6 Ų74.628%0.28140%0.398SS..Hα-helixtrans-62.5-42.9178.500000112.4L28 F52 T53 D59 A60L28-A56 HydrophobicContact CD1-CB 4.22Å; L28-A56 HydrophobicContact CD2-CB 4.01Å; F52-A56 WeakPolarHBondContact O-CB 3.49Å; F52-A56 PolarHBondContact O-N 3.41Å; T53-A56 PolarHBondContact O-N 3.44Å; A56-D59 PolarHBondContact O-N 3.06Å; A56-A60 WeakPolarHBondContact O-CB 3.36Å; A56-A60 PolarHBondContact O-N 3.31Å
57K98.1Very high97Very high84 Ų8471.8 Ų71.837%0.36539%0.388SS..Hα-helixtrans-61.5-46.5174.6-81.3-178.5179.4-179.70112L28 Y31 T53 G54 K55 A60 W61L28-K57 HydrophobicContact CD2-CB 4.5Å; L28-K57 HydrophobicContact CD2-CG 3.89Å; Y31-K57 HydrophobicContact CD1-CB 3.79Å; Y31-K57 HydrophobicContact CD1-CD 4.46Å; Y31-K57 HydrophobicContact CD1-CG 3.9Å; Y31-K57 HydrophobicContact CD2-CD 4.12Å; Y31-K57 HydrophobicContact CD2-CG 4.38Å; Y31-K57 HydrophobicContact CE1-CB 3.49Å; Y31-K57 VanDerWaalsContact CE1-CB 3.49Å; Y31-K57 HydrophobicContact CE1-CD 4.39Å; Y31-K57 HydrophobicContact CE1-CG 4.01Å; Y31-K57 VanDerWaalsContact CE1-O 3.26Å; Y31-K57 WeakPolarHBondContact CE1-O 3.32Å; Y31-K57 HydrophobicContact CE2-CD 4.01Å; Y31-K57 HydrophobicContact CE2-CG 4.45Å; Y31-K57 HydrophobicContact CG-CB 4.46Å; Y31-K57 HydrophobicContact CG-CD 4.34Å; Y31-K57 HydrophobicContact CG-CG 4.1Å; T53-K57 PolarHBondContact O-N 3.38Å; G54-K57 PolarHBondContact O-N 3.02Å; K55-K57 PolarHBondContact O-N 3.48Å; K57-A60 PolarHBondContact O-N 2.86Å; K57-W61 PolarHBondContact O-N 2.82Å
58W98.5Very high97Very high38 Ų3872.5 Ų72.514%0.14440%0.395CS..Hα-helixtrans-62.7-46.9178-170.698000111.1V42 T44 A45 R46 P47 G54 K55 A60 W61 E62V42-W58 HydrophobicContact CG1-CZ2 4.45Å; V42-W58 HydrophobicContact CG2-CD2 4.48Å; V42-W58 HydrophobicContact CG2-CZ2 4.1Å; V42-W58 VanDerWaalsContact CG2-NE1 3.34Å; T44-W58 PolarHBondContact O-NE1 3.4Å; T44-W58 PolarHBondContact OG1-NE1 2.94Å; A45-W58 PolarHBondContact O-NE1 2.97Å; R46-W58 HydrophobicContact CB-CD2 3.77Å; R46-W58 HydrophobicContact CB-CE3 3.86Å; R46-W58 HydrophobicContact CB-CG 4.42Å; R46-W58 HydrophobicContact CB-CH2 4.06Å; R46-W58 HydrophobicContact CB-CZ2 3.92Å; R46-W58 HydrophobicContact CB-CZ3 4.02Å; R46-W58 HydrophobicContact CG-CD2 3.73Å; R46-W58 HydrophobicContact CG-CE3 3.51Å; R46-W58 HydrophobicContact CG-CG 4.28Å; R46-W58 HydrophobicContact CG-CH2 4.46Å; R46-W58 HydrophobicContact CG-CZ3 3.92Å; P47-W58 HydrophobicContact CG-CB 4.24Å; G54-W58 WeakPolarHBondContact O-CB 3.27Å; G54-W58 PolarHBondContact O-N 3.48Å; K55-W58 PolarHBondContact O-N 3.37Å; W58-A60 VanDerWaalsContact C-N 3.3Å; W58-A60 PolarHBondContact O-N 3.43Å; W58-W61 PolarHBondContact O-N 2.93Å; W58-W61 VanDerWaalsContact O-N 3.11Å; W58-E62 HydrophobicContact CE3-CB 4.06Å; W58-E62 HydrophobicContact CH2-CB 3.93Å; W58-E62 HydrophobicContact CH2-CG 3.84Å; W58-E62 WeakPolarHBondContact CH2-OE2 3.23Å; W58-E62 HydrophobicContact CZ3-CB 3.64Å; W58-E62 HydrophobicContact CZ3-CG 3.83Å; W58-E62 PolarHBondContact O-N 3.03Å
59D98.2Very high97.1Very high45 Ų4574.4 Ų74.424%0.24139%0.388CS..Hα-helixtrans-61.1-39.6178.2-72.6-16.9000111.6R46 K55 A56 K63R46-D59 IonicContact CZ-OD1 2.75Å; R46-D59 VanDerWaalsContact CZ-OD1 3.28Å; R46-D59 IonicContact CZ-OD2 3.14Å; R46-D59 IonicContact NE-OD1 2.68Å; R46-D59 PolarHBondContact NE-OD1 2.94Å; R46-D59 IonicContact NE-OD2 2.69Å; R46-D59 VanDerWaalsContact NH2-CG 3.29Å; R46-D59 IonicContact NH2-OD1 3.4Å; R46-D59 PolarHBondContact NH2-OD1 3.03Å; R46-D59 IonicContact NH2-OD2 3Å; R46-D59 PolarHBondContact NH2-OD2 3.17Å; K55-D59 WeakPolarHBondContact O-CB 3.44Å; K55-D59 PolarHBondContact O-N 2.92Å; A56-D59 PolarHBondContact O-N 3.06Å; D59-K63 VanDerWaalsContact O-CG 3.27Å; D59-K63 WeakPolarHBondContact O-CG 3.45Å; D59-K63 PolarHBondContact O-N 3.47Å
60A98.5Very high97.5Very high13 Ų1371.1 Ų71.111%0.10737%0.374CS..Hα-helixtrans-64.5-41.117500000111.7L28 S32 A56 K57 W58 K63L28-A60 HydrophobicContact CB-CB 4.2Å; L28-A60 HydrophobicContact CD2-CB 4.45Å; S32-A60 WeakPolarHBondContact CB-O 3.32Å; A56-A60 WeakPolarHBondContact O-CB 3.36Å; A56-A60 PolarHBondContact O-N 3.31Å; K57-A60 PolarHBondContact O-N 2.86Å; W58-A60 VanDerWaalsContact C-N 3.3Å; W58-A60 PolarHBondContact O-N 3.43Å; A60-K63 PolarHBondContact O-N 3.18Å
61W98.7Very high97.7Very high6 Ų666.8 Ų66.82%0.02335%0.351CS..Hα-helixtrans-69.8-43.6177.8-17616.3000112.4Y31 K35 V39 G40 V42 K57 W58 K63 Q64Y31-W61 HydrophobicContact CE1-CB 4.32Å; K35-W61 HydrophobicContact CB-CB 4.48Å; K35-W61 HydrophobicContact CB-CD2 3.56Å; K35-W61 HydrophobicContact CB-CE3 4.18Å; K35-W61 HydrophobicContact CB-CG 3.68Å; K35-W61 HydrophobicContact CB-CZ2 4.2Å; K35-W61 VanDerWaalsContact CE-CH2 3.5Å; K35-W61 VanDerWaalsContact CE-CZ3 3.4Å; K35-W61 HydrophobicContact CG-CD2 4.12Å; K35-W61 HydrophobicContact CG-CE3 4.27Å; K35-W61 HydrophobicContact CG-CG 4.39Å; V39-W61 HydrophobicContact CB-CH2 4.17Å; V39-W61 HydrophobicContact CB-CZ2 3.71Å; V39-W61 HydrophobicContact CG1-CH2 3.88Å; V39-W61 HydrophobicContact CG1-CZ2 3.69Å; V39-W61 HydrophobicContact CG2-CH2 4.46Å; V39-W61 HydrophobicContact CG2-CZ2 4.35Å; G40-W61 WeakPolarHBondContact O-CZ2 3.34Å; G40-W61 PolarHBondContact O-NE1 3.43Å; V42-W61 VanDerWaalsContact CA-CZ2 3.47Å; V42-W61 HydrophobicContact CB-CD2 3.61Å; V42-W61 HydrophobicContact CB-CE3 3.85Å; V42-W61 HydrophobicContact CB-CG 4Å; V42-W61 HydrophobicContact CB-CH2 4.31Å; V42-W61 HydrophobicContact CB-CZ2 4.1Å; V42-W61 HydrophobicContact CB-CZ3 4.19Å; V42-W61 HydrophobicContact CG2-CD2 3.91Å; V42-W61 HydrophobicContact CG2-CE3 3.59Å; V42-W61 HydrophobicContact CG2-CH2 4.28Å; V42-W61 HydrophobicContact CG2-CZ3 3.79Å; K57-W61 PolarHBondContact O-N 2.82Å; W58-W61 PolarHBondContact O-N 2.93Å; W58-W61 VanDerWaalsContact O-N 3.11Å; W61-K63 PolarHBondContact O-N 3.43Å; W61-Q64 WeakPolarHBondContact O-CB 3.28Å; W61-Q64 PolarHBondContact O-N 3.43Å
62E98.4Very high97.8Very high61 Ų6163 Ų6329%0.28533%0.331SS..Hα-helixtrans-57.2-35.9175179.871.6-144.300111.7V42 W58 Q64 K65V42-E62 HydrophobicContact CG1-CB 3.9Å; V42-E62 HydrophobicContact CG1-CG 4.34Å; V42-E62 WeakPolarHBondContact CG1-OE2 3.36Å; W58-E62 HydrophobicContact CE3-CB 4.06Å; W58-E62 HydrophobicContact CH2-CB 3.93Å; W58-E62 HydrophobicContact CH2-CG 3.84Å; W58-E62 WeakPolarHBondContact CH2-OE2 3.23Å; W58-E62 HydrophobicContact CZ3-CB 3.64Å; W58-E62 HydrophobicContact CZ3-CG 3.83Å; W58-E62 PolarHBondContact O-N 3.03Å; E62-Q64 PolarHBondContact O-N 3.45Å; E62-K65 WeakPolarHBondContact O-CB 3.47Å; E62-K65 PolarHBondContact O-N 2.87Å; E62-K65 VanDerWaalsContact O-N 3.09Å; E62-K65 WeakPolarHBondContact OE1-CD 3.34Å; E62-K65 IonicContact OE1-NZ 3.05Å; E62-K65 PolarHBondContact OE1-NZ 3.32Å
63K98.3Very high98Very high170 Ų17056.4 Ų56.474%0.73930%0.302SS*.THydrogen-bonded Turntrans-62.6-19.8175.2-74.1171.2-177-178.70114.3D59 A60 W61D59-K63 VanDerWaalsContact O-CG 3.27Å; D59-K63 WeakPolarHBondContact O-CG 3.45Å; D59-K63 PolarHBondContact O-N 3.47Å; A60-K63 PolarHBondContact O-N 3.18Å; W61-K63 PolarHBondContact O-N 3.43Å
64Q98.3Very high98.1Very high26 Ų2657 Ų5712%0.12130%0.297CS..THydrogen-bonded Turntrans-91.4-1.7177.6-55.2-55.2-33.200113.2Q36 W61 E62 G66 K67Q36-Q64 HydrophobicContact CB-CB 3.94Å; Q36-Q64 HydrophobicContact CG-CB 3.93Å; Q36-Q64 PolarHBondContact NE2-O 2.71Å; W61-Q64 WeakPolarHBondContact O-CB 3.28Å; W61-Q64 PolarHBondContact O-N 3.43Å; E62-Q64 PolarHBondContact O-N 3.45Å; Q64-G66 PolarHBondContact O-N 3.43Å; Q64-K67 WeakPolarHBondContact O-CB 3.39Å; Q64-K67 PolarHBondContact O-N 3.03Å
65K98.1Very high98.2Very high114 Ų11460 Ų6050%0.49631%0.306SS..THydrogen-bonded Turntrans-54.7137.9-178.1-174.4175.4-174.3170.70112.2D41 E62 K67D41-K65 HydrophobicContact CB-CG 4.1Å; D41-K65 WeakPolarHBondContact OD1-CA 3.33Å; E62-K65 WeakPolarHBondContact O-CB 3.47Å; E62-K65 PolarHBondContact O-N 2.87Å; E62-K65 VanDerWaalsContact O-N 3.09Å; E62-K65 WeakPolarHBondContact OE1-CD 3.34Å; E62-K65 IonicContact OE1-NZ 3.05Å; E62-K65 PolarHBondContact OE1-NZ 3.32Å; K65-K67 PolarHBondContact O-N 3.46Å
66G98Very high98.2Very high67 Ų6757.9 Ų57.969%0.69130%0.297SS*.THydrogen-bonded Turntrans83.7-10.4-175.200000114.2D41 Q64D41-G66 PolarHBondContact OD1-N 3.47Å; Q64-G66 PolarHBondContact O-N 3.43Å
67K98.1Very high98.3Very high54 Ų5457.9 Ų57.924%0.23529%0.292CS..  trans-74135.5171.8-169.7174.3-56.8-146.20110.3Q36 Q64 K65 D71 S72 E75Q36-K67 HydrophobicContact CG-CB 4.15Å; Q36-K67 PolarHBondContact NE2-O 3.38Å; Q64-K67 WeakPolarHBondContact O-CB 3.39Å; Q64-K67 PolarHBondContact O-N 3.03Å; K65-K67 PolarHBondContact O-N 3.46Å; K67-D71 HydrophobicContact CG-CB 4.08Å; K67-S72 WeakPolarHBondContact CD-OG 3.27Å; K67-S72 WeakPolarHBondContact CG-OG 3.47Å; K67-E75 IonicContact NZ-OE1 2.74Å; K67-E75 PolarHBondContact NZ-OE1 2.83Å; K67-E75 IonicContact NZ-OE2 3.81Å; K67-E75 PolarHBondContact NZ-OE2 3.11Å
68S98.2Very high98.3Very high52 Ų5260.2 Ų60.236%0.36430%0.302SS..  trans-65.5157.5177.380.40000111.4D70 D71 S72S68-D70 VanDerWaalsContact C-N 3.33Å; S68-D70 PolarHBondContact O-N 2.89Å; S68-D71 PolarHBondContact O-N 2.89Å; S68-D71 WeakPolarHBondContact OG-CB 3.23Å; S68-D71 PolarHBondContact OG-N 3.31Å; S68-D71 PolarHBondContact OG-OD2 3.37Å; S68-S72 WeakPolarHBondContact O-CB 3.47Å; S68-S72 PolarHBondContact O-N 3.47Å; S68-S72 PolarHBondContact O-OG 3.34Å
69K97.8Very high98.3Very high92 Ų9259.2 Ų59.240%0.430%0.299SS..Hα-helixtrans-60.5-45.3174.9-68.6-169.4174.5-163.70111A37 T38 D71 S72 M73A37-K69 WeakPolarHBondContact O-CD 3.5Å; A37-K69 WeakPolarHBondContact O-CG 3.24Å; T38-K69 PolarHBondContact O-NZ 3.4Å; K69-D71 PolarHBondContact O-N 2.83Å; K69-S72 WeakPolarHBondContact O-CB 3.41Å; K69-S72 PolarHBondContact O-N 3.47Å; K69-M73 HydrophobicContact CB-CE 4.49Å; K69-M73 WeakPolarHBondContact O-CG 3.13Å; K69-M73 PolarHBondContact O-N 3.25Å
70D97.7Very high98.2Very high83 Ų8357 Ų5744%0.44429%0.288SS..Hα-helixtrans-61.2-43.5-179.9-72.815.9000112.3L4 S68 S72 M73 K74L4-D70 HydrophobicContact CD2-CB 3.8Å; S68-D70 VanDerWaalsContact C-N 3.33Å; S68-D70 PolarHBondContact O-N 2.89Å; D70-S72 VanDerWaalsContact C-N 3.34Å; D70-M73 PolarHBondContact O-N 3.46Å; D70-K74 WeakPolarHBondContact O-CG 3.37Å; D70-K74 PolarHBondContact O-N 3.35Å
71D98.1Very high98.1Very high68 Ų6860.1 Ų60.136%0.36430%0.3SS..Hα-helixtrans-70.5-35.8179.1-60.7-35.6000111.4K67 S68 K69 M73 K74 E75K67-D71 HydrophobicContact CG-CB 4.08Å; S68-D71 PolarHBondContact O-N 2.89Å; S68-D71 WeakPolarHBondContact OG-CB 3.23Å; S68-D71 PolarHBondContact OG-N 3.31Å; S68-D71 PolarHBondContact OG-OD2 3.37Å; K69-D71 PolarHBondContact O-N 2.83Å; D71-M73 VanDerWaalsContact C-N 3.33Å; D71-M73 PolarHBondContact O-N 2.9Å; D71-K74 PolarHBondContact O-N 2.94Å; D71-K74 IonicContact OD1-NZ 3.32Å; D71-K74 PolarHBondContact OD1-NZ 2.92Å; D71-E75 WeakPolarHBondContact O-CG 3.41Å; D71-E75 PolarHBondContact O-N 2.97Å
72S98.4Very high98.1Very high0 Ų064.5 Ų64.50%032%0.32CS..Hα-helixtrans-62.8-39.7172.6-54.70000111.8Q36 K67 S68 K69 D70 Y76Q36-S72 WeakPolarHBondContact CB-OG 3.46Å; Q36-S72 WeakPolarHBondContact CG-OG 3.43Å; K67-S72 WeakPolarHBondContact CD-OG 3.27Å; K67-S72 WeakPolarHBondContact CG-OG 3.47Å; S68-S72 WeakPolarHBondContact O-CB 3.47Å; S68-S72 PolarHBondContact O-N 3.47Å; S68-S72 PolarHBondContact O-OG 3.34Å; K69-S72 WeakPolarHBondContact O-CB 3.41Å; K69-S72 PolarHBondContact O-N 3.47Å; D70-S72 VanDerWaalsContact C-N 3.34Å; S72-Y76 VanDerWaalsContact O-CB 3.24Å; S72-Y76 WeakPolarHBondContact O-CB 3.18Å; S72-Y76 PolarHBondContact O-N 2.98Å
73M98.6Very high97.9Very high11 Ų1161.7 Ų61.75%0.05431%0.307CS..Hα-helixtrans-64.3-46.7174.5-70.7175.7-169.400111.7L4 F8 A37 K69 D70 D71 E75 Y76 I77L4-M73 HydrophobicContact CD1-CB 4.05Å; L4-M73 HydrophobicContact CD2-CB 4.29Å; L4-M73 HydrophobicContact CD2-SD 4.38Å; L4-M73 HydrophobicContact CG-CB 4.05Å; L4-M73 HydrophobicContact CG-SD 4.15Å; F8-M73 HydrophobicContact CB-CB 4.18Å; F8-M73 HydrophobicContact CB-CG 4.07Å; F8-M73 HydrophobicContact CB-SD 4.38Å; F8-M73 HydrophobicContact CD1-CG 4.39Å; F8-M73 HydrophobicContact CD2-CB 3.94Å; F8-M73 HydrophobicContact CD2-CG 3.73Å; F8-M73 HydrophobicContact CE2-CG 4.22Å; F8-M73 HydrophobicContact CG-CB 4.23Å; F8-M73 HydrophobicContact CG-CG 3.8Å; F8-M73 HydrophobicContact CG-SD 4.46Å; A37-M73 HydrophobicContact CB-CE 4.41Å; A37-M73 HydrophobicContact CB-CG 3.67Å; K69-M73 HydrophobicContact CB-CE 4.49Å; K69-M73 WeakPolarHBondContact O-CG 3.13Å; K69-M73 PolarHBondContact O-N 3.25Å; D70-M73 PolarHBondContact O-N 3.46Å; D71-M73 VanDerWaalsContact C-N 3.33Å; D71-M73 PolarHBondContact O-N 2.9Å; M73-E75 PolarHBondContact O-N 3.41Å; M73-Y76 PolarHBondContact O-N 3.42Å; M73-I77 WeakPolarHBondContact O-CD1 2.84Å; M73-I77 VanDerWaalsContact O-CG1 3.23Å; M73-I77 WeakPolarHBondContact O-CG1 3.32Å; M73-I77 PolarHBondContact O-N 2.86Å
74K98.4Very high97.8Very high106 Ų10655.2 Ų55.246%0.46128%0.279SS..Hα-helixtrans-60-45.5178.7-69.4168.9-161.7156.60111.7L4 D70 D71 I77 K78L4-K74 HydrophobicContact CD1-CG 3.78Å; L4-K74 HydrophobicContact CD2-CG 4.32Å; D70-K74 WeakPolarHBondContact O-CG 3.37Å; D70-K74 PolarHBondContact O-N 3.35Å; D71-K74 PolarHBondContact O-N 2.94Å; D71-K74 IonicContact OD1-NZ 3.32Å; D71-K74 PolarHBondContact OD1-NZ 2.92Å; K74-I77 PolarHBondContact O-N 3.38Å; K74-K78 WeakPolarHBondContact O-CB 3.34Å; K74-K78 PolarHBondContact O-N 3.2Å
75E98.5Very high97.6Very high81 Ų8161.8 Ų61.838%0.37931%0.31SS..Hα-helixtrans-66.2-39.3177.2-74.6-178.2-151.800112.1L33 K67 D71 M73 K78 L79L33-E75 HydrophobicContact CD1-CB 4.01Å; L33-E75 HydrophobicContact CD2-CB 3.96Å; L33-E75 WeakPolarHBondContact CD2-OE2 3.38Å; K67-E75 IonicContact NZ-OE1 2.74Å; K67-E75 PolarHBondContact NZ-OE1 2.83Å; K67-E75 IonicContact NZ-OE2 3.81Å; K67-E75 PolarHBondContact NZ-OE2 3.11Å; D71-E75 WeakPolarHBondContact O-CG 3.41Å; D71-E75 PolarHBondContact O-N 2.97Å; M73-E75 PolarHBondContact O-N 3.41Å; E75-K78 PolarHBondContact O-N 2.85Å; E75-L79 WeakPolarHBondContact O-CB 3.09Å; E75-L79 PolarHBondContact O-N 2.64Å
76Y98.6Very high97.4Very high11 Ų1163 Ų634%0.04332%0.315CS..Hα-helixtrans-61.2-48.2175.7-175.8-90.7000111.6F8 A11 A12 V15 L30 L33 F34 S72 M73 K78 L79 V80F8-Y76 AromaticContact CD2-CD1 3.55Å; F8-Y76 HydrophobicContact CD2-CD1 3.55Å; F8-Y76 HydrophobicContact CD2-CE1 4.27Å; F8-Y76 AromaticContact CD2-CG 3.97Å; F8-Y76 HydrophobicContact CD2-CG 3.97Å; F8-Y76 AromaticContact CE2-CD1 3.48Å; F8-Y76 HydrophobicContact CE2-CD1 3.48Å; F8-Y76 VanDerWaalsContact CE2-CD1 3.48Å; F8-Y76 HydrophobicContact CE2-CD2 4.25Å; F8-Y76 HydrophobicContact CE2-CE1 4.04Å; F8-Y76 AromaticContact CE2-CG 3.59Å; F8-Y76 HydrophobicContact CE2-CG 3.59Å; A11-Y76 HydrophobicContact CB-CD1 4.23Å; A11-Y76 HydrophobicContact CB-CE1 4.13Å; A12-Y76 HydrophobicContact CB-CE1 4.04Å; V15-Y76 WeakPolarHBondContact CG1-OH 3.46Å; L30-Y76 HydrophobicContact CB-CE2 4.2Å; L30-Y76 HydrophobicContact CD2-CD2 4.07Å; L30-Y76 HydrophobicContact CD2-CE2 3.55Å; L30-Y76 WeakPolarHBondContact O-CE2 3.46Å; L33-Y76 HydrophobicContact CB-CD2 4.02Å; F34-Y76 HydrophobicContact CB-CD2 4.2Å; F34-Y76 HydrophobicContact CB-CE2 3.86Å; F34-Y76 HydrophobicContact CD2-CE2 4.28Å; S72-Y76 VanDerWaalsContact O-CB 3.24Å; S72-Y76 WeakPolarHBondContact O-CB 3.18Å; S72-Y76 PolarHBondContact O-N 2.98Å; M73-Y76 PolarHBondContact O-N 3.42Å; Y76-K78 VanDerWaalsContact C-N 3.33Å; Y76-K78 PolarHBondContact O-N 3.5Å; Y76-L79 PolarHBondContact O-N 2.75Å; Y76-V80 HydrophobicContact CD1-CG2 4.05Å; Y76-V80 HydrophobicContact CE1-CG2 3.67Å; Y76-V80 WeakPolarHBondContact O-CG2 3.46Å; Y76-V80 PolarHBondContact O-N 2.88Å
77I98.4Very high97Very high33 Ų3361.3 Ų61.317%0.16929%0.289CS..Hα-helixtrans-58-48.2177.3-67.9159.4000110.1L4 N7 F8 A11 M73 K74 L79 V80 E81L4-I77 HydrophobicContact CD1-CD1 3.71Å; N7-I77 HydrophobicContact CB-CD1 3.73Å; N7-I77 HydrophobicContact CB-CG1 4.46Å; F8-I77 HydrophobicContact CB-CD1 4.18Å; F8-I77 HydrophobicContact CB-CG1 4.34Å; A11-I77 HydrophobicContact CB-CG1 4.07Å; M73-I77 WeakPolarHBondContact O-CD1 2.84Å; M73-I77 VanDerWaalsContact O-CG1 3.23Å; M73-I77 WeakPolarHBondContact O-CG1 3.32Å; M73-I77 PolarHBondContact O-N 2.86Å; K74-I77 PolarHBondContact O-N 3.38Å; I77-L79 VanDerWaalsContact C-N 3.34Å; I77-L79 PolarHBondContact O-N 3Å; I77-V80 PolarHBondContact O-N 2.95Å; I77-E81 PolarHBondContact O-N 3.45Å
78K98.3Very high96.3Very high134 Ų13459.9 Ų59.958%0.58329%0.29SS*.Hα-helixtrans-58.1-46.3178-177.2-177.7172.4-170.50111.7K74 E75 Y76 V80 E81 E82K74-K78 WeakPolarHBondContact O-CB 3.34Å; K74-K78 PolarHBondContact O-N 3.2Å; E75-K78 PolarHBondContact O-N 2.85Å; Y76-K78 VanDerWaalsContact C-N 3.33Å; Y76-K78 PolarHBondContact O-N 3.5Å; K78-V80 VanDerWaalsContact C-N 3.35Å; K78-V80 PolarHBondContact O-N 2.99Å; K78-E81 PolarHBondContact O-N 3.04Å; K78-E82 WeakPolarHBondContact CE-OE1 3.2Å; K78-E82 IonicContact NZ-OE1 2.75Å; K78-E82 WeakPolarHBondContact O-CG 3.1Å; K78-E82 PolarHBondContact O-N 3.37Å; K78-E82 VanDerWaalsContact O-N 3.09Å
79L97.9Very high95Very high16 Ų1661.6 Ų61.68%0.08429%0.294CS..Hα-helixtrans-61.9-42.6178.6178.261.2000111.6L29 L30 L33 E75 Y76 I77 E81 E82 L83L29-L79 HydrophobicContact CB-CD2 4.01Å; L29-L79 HydrophobicContact CD2-CD1 4.23Å; L29-L79 HydrophobicContact CD2-CD2 3.72Å; L29-L79 HydrophobicContact CG-CD2 3.65Å; L30-L79 HydrophobicContact CD2-CD2 3.78Å; L30-L79 HydrophobicContact CD2-CG 4.09Å; L30-L79 HydrophobicContact CG-CD2 3.83Å; L30-L79 HydrophobicContact CG-CG 4.42Å; L33-L79 HydrophobicContact CD1-CD2 4.11Å; E75-L79 WeakPolarHBondContact O-CB 3.09Å; E75-L79 PolarHBondContact O-N 2.64Å; Y76-L79 PolarHBondContact O-N 2.75Å; I77-L79 VanDerWaalsContact C-N 3.34Å; I77-L79 PolarHBondContact O-N 3Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 2.69Å; L79-E82 PolarHBondContact O-N 2.85Å; L79-L83 HydrophobicContact CD1-CD1 4.27Å; L79-L83 HydrophobicContact CD1-CG 4.21Å; L79-L83 HydrophobicContact CG-CD1 4.06Å; L79-L83 HydrophobicContact CG-CG 4.41Å; L79-L83 VanDerWaalsContact O-CG 3.25Å; L79-L83 WeakPolarHBondContact O-CG 3.47Å; L79-L83 PolarHBondContact O-N 3.37Å
80V97.3Very high94.8Very high0 Ų060.1 Ų60.10%029%0.289CS..Hα-helixtrans-61.9-41.5177.6171.40000111.3A11 E14 V15 L30 Y76 I77 K78 E82 L83 K84A11-V80 HydrophobicContact CB-CB 4.03Å; A11-V80 HydrophobicContact CB-CG1 4.05Å; A11-V80 HydrophobicContact CB-CG2 4.11Å; E14-V80 HydrophobicContact CB-CG1 4.43Å; V15-V80 HydrophobicContact CB-CG1 4.24Å; V15-V80 HydrophobicContact CB-CG2 3.94Å; V15-V80 HydrophobicContact CG2-CG2 4.05Å; L30-V80 HydrophobicContact CD2-CG2 3.79Å; Y76-V80 HydrophobicContact CD1-CG2 4.05Å; Y76-V80 HydrophobicContact CE1-CG2 3.67Å; Y76-V80 WeakPolarHBondContact O-CG2 3.46Å; Y76-V80 PolarHBondContact O-N 2.88Å; I77-V80 PolarHBondContact O-N 2.95Å; K78-V80 VanDerWaalsContact C-N 3.35Å; K78-V80 PolarHBondContact O-N 2.99Å; V80-E82 PolarHBondContact O-N 3.5Å; V80-L83 PolarHBondContact O-N 3.25Å; V80-K84 HydrophobicContact CG1-CD 3.93Å; V80-K84 HydrophobicContact CG1-CG 4.34Å; V80-K84 VanDerWaalsContact O-CG 3.3Å; V80-K84 WeakPolarHBondContact O-CG 3.46Å; V80-K84 PolarHBondContact O-N 2.78Å
81E96.9Very high94.7Very high77 Ų7758.9 Ų58.936%0.3628%0.281SS..Hα-helixtrans-62.3-41.5175.3-70.9-56.814400112.8I77 K78 L79 L83 K84 Q85I77-E81 PolarHBondContact O-N 3.45Å; K78-E81 PolarHBondContact O-N 3.04Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 2.69Å; E81-L83 VanDerWaalsContact C-N 3.33Å; E81-L83 PolarHBondContact O-N 3.46Å; E81-K84 PolarHBondContact O-N 2.77Å; E81-K84 IonicContact OE1-NZ 3.65Å; E81-K84 PolarHBondContact OE1-NZ 3.4Å; E81-K84 IonicContact OE2-NZ 2.67Å; E81-K84 PolarHBondContact OE2-NZ 3.24Å; E81-Q85 WeakPolarHBondContact O-CG 3.42Å; E81-Q85 PolarHBondContact O-N 3.09Å; E81-Q85 VanDerWaalsContact O-N 3.16Å
82E96.8Very high94.5Very high98 Ų9858.4 Ų58.446%0.45828%0.276SS..Hα-helixtrans-62.1-41.7174-70173.8-176.200111.5K78 L79 V80 Q85 K86K78-E82 WeakPolarHBondContact CE-OE1 3.2Å; K78-E82 IonicContact NZ-OE1 2.75Å; K78-E82 WeakPolarHBondContact O-CG 3.1Å; K78-E82 PolarHBondContact O-N 3.37Å; K78-E82 VanDerWaalsContact O-N 3.09Å; L79-E82 PolarHBondContact O-N 2.85Å; V80-E82 PolarHBondContact O-N 3.5Å; E82-Q85 PolarHBondContact O-N 3.17Å; E82-K86 WeakPolarHBondContact O-CB 3.13Å; E82-K86 PolarHBondContact O-N 2.93Å
83L96.3Very high94.3Very high2 Ų261.8 Ų61.81%0.0129%0.292CS..Hα-helixtrans-69.2-35.6178.2-67.3175.8000112.5L18 P22 E26 L30 L79 V80 E81 Q85 K86 H87L18-L83 HydrophobicContact CD1-CB 3.89Å; P22-L83 HydrophobicContact CB-CD2 4.45Å; P22-L83 HydrophobicContact CG-CD1 4.46Å; E26-L83 HydrophobicContact CB-CD2 4.04Å; E26-L83 HydrophobicContact CG-CD2 3.77Å; E26-L83 WeakPolarHBondContact OE2-CD2 3.3Å; L30-L83 HydrophobicContact CD1-CD1 3.58Å; L30-L83 HydrophobicContact CD2-CD1 4.06Å; L30-L83 HydrophobicContact CG-CD1 3.95Å; L79-L83 HydrophobicContact CD1-CD1 4.27Å; L79-L83 HydrophobicContact CD1-CG 4.21Å; L79-L83 HydrophobicContact CG-CD1 4.06Å; L79-L83 HydrophobicContact CG-CG 4.41Å; L79-L83 VanDerWaalsContact O-CG 3.25Å; L79-L83 WeakPolarHBondContact O-CG 3.47Å; L79-L83 PolarHBondContact O-N 3.37Å; V80-L83 PolarHBondContact O-N 3.25Å; E81-L83 VanDerWaalsContact C-N 3.33Å; E81-L83 PolarHBondContact O-N 3.46Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; L83-Q85 PolarHBondContact O-N 3.04Å; L83-K86 PolarHBondContact O-N 3.49Å; L83-H87 WeakPolarHBondContact O-CB 3.2Å; L83-H87 PolarHBondContact O-N 2.82Å
84K94.9Very high94Very high34 Ų3465 Ų6515%0.14831%0.307CS..Hα-helixtrans-59.8-42.3172.6-75.4164.562.9-179.20111.1E14 L18 V80 E81 G88 I89E14-K84 HydrophobicContact CB-CD 4.36Å; E14-K84 IonicContact OE1-NZ 3.28Å; E14-K84 PolarHBondContact OE1-NZ 2.94Å; E14-K84 VanDerWaalsContact OE1-NZ 3.14Å; E14-K84 IonicContact OE2-NZ 3.85Å; E14-K84 PolarHBondContact OE2-NZ 3.03Å; L18-K84 HydrophobicContact CD2-CB 4.4Å; L18-K84 HydrophobicContact CD2-CG 3.91Å; V80-K84 HydrophobicContact CG1-CD 3.93Å; V80-K84 HydrophobicContact CG1-CG 4.34Å; V80-K84 VanDerWaalsContact O-CG 3.3Å; V80-K84 WeakPolarHBondContact O-CG 3.46Å; V80-K84 PolarHBondContact O-N 2.78Å; E81-K84 PolarHBondContact O-N 2.77Å; E81-K84 IonicContact OE1-NZ 3.65Å; E81-K84 PolarHBondContact OE1-NZ 3.4Å; E81-K84 IonicContact OE2-NZ 2.67Å; E81-K84 PolarHBondContact OE2-NZ 3.24Å; K84-G88 WeakPolarHBondContact O-CA 3.49Å; K84-G88 PolarHBondContact O-N 2.69Å; K84-I89 HydrophobicContact CD-CD1 4.5Å; K84-I89 HydrophobicContact CG-CB 4.48Å; K84-I89 HydrophobicContact CG-CD1 4.4Å
85Q93.9Very high93.7Very high165 Ų16562.3 Ų62.377%0.77130%0.297SS*.Hα-helixtrans-67.9-39.2176.4-66.6176.11900112.3E81 E82 L83E81-Q85 WeakPolarHBondContact O-CG 3.42Å; E81-Q85 PolarHBondContact O-N 3.09Å; E81-Q85 VanDerWaalsContact O-N 3.16Å; E82-Q85 PolarHBondContact O-N 3.17Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; L83-Q85 PolarHBondContact O-N 3.04Å
86K93.8Very high93.3Very high138 Ų13860.9 Ų60.960%0.629%0.291SS*.Hα-helixtrans-76.5-42.9-176.3-175.7175.4178.7-1800113.7E26 E82 L83E26-K86 IonicContact OE1-NZ 2.89Å; E26-K86 PolarHBondContact OE1-NZ 2.68Å; E82-K86 WeakPolarHBondContact O-CB 3.13Å; E82-K86 PolarHBondContact O-N 2.93Å; L83-K86 PolarHBondContact O-N 3.49Å
87H90.5Very high92.9Very high33 Ų3364.8 Ų64.815%0.15331%0.31CS..Hα-helixtrans-107.1-12-170.5-62.8-65.3000113.2L18 A20 E26 L83L18-H87 HydrophobicContact CB-CB 4.43Å; L18-H87 HydrophobicContact CD2-CB 4.44Å; A20-H87 HydrophobicContact CB-CB 4.07Å; E26-H87 IonicContact OE1-NE2 3.72Å; E26-H87 IonicContact OE2-CE1 3.7Å; E26-H87 IonicContact OE2-NE2 2.64Å; E26-H87 PolarHBondContact OE2-NE2 3.45Å; L83-H87 WeakPolarHBondContact O-CB 3.2Å; L83-H87 PolarHBondContact O-N 2.82Å
88G83.6Confident92.5Very high24 Ų2467.4 Ų67.425%0.24732%0.322CS..  trans75.6148.3-175.900000112.8L18 K19 K84L18-G88 WeakPolarHBondContact CA-O 3.37Å; K19-G88 PolarHBondContact N-O 3.05Å; K84-G88 WeakPolarHBondContact O-CA 3.49Å; K84-G88 PolarHBondContact O-N 2.69Å
89I69.6Low92Very high88 Ų8861.4 Ų61.445%0.45130%0.298SS..  trans-116.60164.9-161.8166.1000108.7E14 Q17 K19 K84E14-I89 HydrophobicContact CB-CD1 3.85Å; E14-I89 HydrophobicContact CG-CD1 4.08Å; Q17-I89 HydrophobicContact CB-CD1 3.96Å; Q17-I89 HydrophobicContact CB-CG1 3.81Å; K19-I89 VanDerWaalsContact CE-OXT 3.27Å; K19-I89 WeakPolarHBondContact CE-OXT 3.43Å; K19-I89 VanDerWaalsContact NZ-C 3.33Å; K19-I89 PolarHBondContact NZ-O 3.46Å; K19-I89 PolarHBondContact NZ-OXT 2.81Å; K84-I89 HydrophobicContact CD-CD1 4.5Å; K84-I89 HydrophobicContact CG-CB 4.48Å; K84-I89 HydrophobicContact CG-CD1 4.4Å

Retrieved 89 of 89 residues in 50.6 ms (Link to these results)

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