A0A087XDU3_POEFO Loading...

Gem (nuclear organelle) associated protein 8

AlphaFold DB , UniProt , Accession A0A087XDU3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 195 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
1M46.8Very low61.8Low245 Ų245119.4 Ų119.4100%1.20764%0.639SS**  098.90-77.2173.7175.500106
2E55.5Low63.1Low185 Ų185116.3 Ų116.386%0.86463%0.634SS**  trans-66.7133.1-179.6-69.9174.7165.900109.4V4E2-V4 PolarHBondContact O-N 3.26Å
3D59.8Low64.7Low116 Ų116110.4 Ų110.462%0.6261%0.606SS**  trans-69.2100.7-171-160.8-7000109.4S5 A6D3-S5 PolarHBondContact O-N 3.38Å; D3-S5 VanDerWaalsContact OD1-CB 3.3Å; D3-S5 WeakPolarHBondContact OD1-CB 3.35Å; D3-A6 WeakPolarHBondContact O-CB 3.22Å; D3-A6 PolarHBondContact O-N 3Å
4V62.7Low66.1Low111 Ų111110.1 Ų110.167%0.67361%0.613SS**Hα-helixtrans-52.6-25.5179.9-178.60000111.5E2 A6 V7 M8E2-V4 PolarHBondContact O-N 3.26Å; V4-A6 PolarHBondContact O-N 2.63Å; V4-V7 PolarHBondContact O-N 3.23Å; V4-M8 PolarHBondContact O-N 3.39Å
5S60.7Low67.4Low82 Ų82111.1 Ų111.157%0.57362%0.615SS**Hα-helixtrans-59.7-40.3172.9-1730000113.3D3 V7 M8 S9D3-S5 PolarHBondContact O-N 3.38Å; D3-S5 VanDerWaalsContact OD1-CB 3.3Å; D3-S5 WeakPolarHBondContact OD1-CB 3.35Å; S5-V7 PolarHBondContact O-N 3.45Å; S5-M8 PolarHBondContact O-N 3.08Å; S5-S9 PolarHBondContact O-N 3.04Å
6A59.9Low68.5Low63 Ų63109.6 Ų109.652%0.52160%0.597SS.*Hα-helixtrans-69.2-34.1179.900000112.1D3 V4 M8 S9D3-A6 WeakPolarHBondContact O-CB 3.22Å; D3-A6 PolarHBondContact O-N 3Å; V4-A6 PolarHBondContact O-N 2.63Å; A6-M8 VanDerWaalsContact C-N 3.32Å; A6-M8 PolarHBondContact O-N 3.09Å; A6-S9 PolarHBondContact O-N 3.43Å
7V60.9Low69.5Low94 Ų94106.9 Ų106.957%0.5759%0.588SS**Hα-helixtrans-73.1-23.4176.5-176.80000112V4 S5 W10V4-V7 PolarHBondContact O-N 3.23Å; S5-V7 PolarHBondContact O-N 3.45Å; V7-W10 PolarHBondContact O-NE1 3.21Å; V7-W10 VanDerWaalsContact O-NE1 3.09Å
8M57.2Low70.4Confident122 Ų122111.1 Ų111.160%0.60159%0.594SS**Hα-helixtrans-87.2-14.1172.8-64.5-142.411400114.1V4 S5 A6 F11 S12V4-M8 PolarHBondContact O-N 3.39Å; S5-M8 PolarHBondContact O-N 3.08Å; A6-M8 VanDerWaalsContact C-N 3.32Å; A6-M8 PolarHBondContact O-N 3.09Å; M8-F11 HydrophobicContact CB-CE1 4.19Å; M8-F11 HydrophobicContact CE-CE1 4.4Å; M8-F11 HydrophobicContact CE-CZ 4.45Å; M8-F11 VanDerWaalsContact O-CE1 3.23Å; M8-F11 WeakPolarHBondContact O-CE1 3.42Å; M8-F11 WeakPolarHBondContact O-CZ 3.36Å; M8-S12 PolarHBondContact O-OG 3.18Å
9S66.3Low71.4Confident76 Ų76112.4 Ų112.453%0.53159%0.591SS.*Hα-helixtrans-80.8-37.5-176.91640000113.4S5 A6 F11 S12 S13S5-S9 PolarHBondContact O-N 3.04Å; A6-S9 PolarHBondContact O-N 3.43Å; S9-F11 PolarHBondContact O-N 3.5Å; S9-S12 PolarHBondContact O-N 3.01Å; S9-S12 VanDerWaalsContact O-N 3.08Å; S9-S13 PolarHBondContact O-N 3.17Å
10W74.3Confident72.4Confident154 Ų154111.2 Ų111.258%0.58358%0.578SS**G310 helixtrans-62.1-41.4-170.575.5-84.9000113.4V7 S12 S13 Y16V7-W10 PolarHBondContact O-NE1 3.21Å; V7-W10 VanDerWaalsContact O-NE1 3.09Å; W10-S12 VanDerWaalsContact C-N 3.28Å; W10-S12 PolarHBondContact O-N 3.42Å; W10-S13 VanDerWaalsContact O-CB 3.31Å; W10-S13 WeakPolarHBondContact O-CB 3.48Å; W10-S13 PolarHBondContact O-N 3.12Å; W10-Y16 HydrophobicContact CE3-CE2 4.1Å; W10-Y16 HydrophobicContact CZ3-CE2 4.47Å; W10-Y16 WeakPolarHBondContact O-CD2 3.49Å; W10-Y16 VanDerWaalsContact O-CE2 3.25Å; W10-Y16 WeakPolarHBondContact O-CE2 3.29Å
11F75.4Confident73.2Confident65 Ų65111.2 Ų111.229%0.28558%0.575SS.*G310 helixtrans-76.7-17.1-179.671.9-102.4000113M8 S9 S13 W20M8-F11 HydrophobicContact CB-CE1 4.19Å; M8-F11 HydrophobicContact CE-CE1 4.4Å; M8-F11 HydrophobicContact CE-CZ 4.45Å; M8-F11 VanDerWaalsContact O-CE1 3.23Å; M8-F11 WeakPolarHBondContact O-CE1 3.42Å; M8-F11 WeakPolarHBondContact O-CZ 3.36Å; S9-F11 PolarHBondContact O-N 3.5Å; F11-S13 VanDerWaalsContact C-N 3.26Å; F11-W20 HydrophobicContact CB-CZ2 4.11Å; F11-W20 AromaticContact CD2-CZ2 3.77Å; F11-W20 HydrophobicContact CD2-CZ2 3.77Å; F11-W20 HydrophobicContact CG-CZ2 4.23Å; F11-W20 PolarHBondContact O-NE1 2.94Å
12S78.1Confident75.1Confident83 Ų83104.4 Ų104.458%0.5854%0.54SS*.G310 helixtrans-85.7-0.2176.9-60.60000112.6M8 S9 W10M8-S12 PolarHBondContact O-OG 3.18Å; S9-S12 PolarHBondContact O-N 3.01Å; S9-S12 VanDerWaalsContact O-N 3.08Å; W10-S12 VanDerWaalsContact C-N 3.28Å; W10-S12 PolarHBondContact O-N 3.42Å
13S83.2Confident76.8Confident39 Ų39100.2 Ų100.227%0.27352%0.517SS..SBendtrans-61.8141.2177179.30000112S9 W10 F11 I15 Y16S9-S13 PolarHBondContact O-N 3.17Å; W10-S13 VanDerWaalsContact O-CB 3.31Å; W10-S13 WeakPolarHBondContact O-CB 3.48Å; W10-S13 PolarHBondContact O-N 3.12Å; F11-S13 VanDerWaalsContact C-N 3.26Å; S13-I15 PolarHBondContact O-N 2.91Å; S13-I15 WeakPolarHBondContact OG-CG1 3.06Å; S13-Y16 PolarHBondContact O-N 2.93Å
14P84.9Confident78.3Confident107 Ų107103.7 Ų103.770%0.69552%0.522SS*.G310 helixtrans-55.9-24.9180-24.532.9000114Y16 S17P14-Y16 PolarHBondContact O-N 2.93Å; P14-S17 WeakPolarHBondContact O-CB 3.47Å; P14-S17 PolarHBondContact O-N 3.2Å; P14-S17 VanDerWaalsContact O-N 3.09Å; P14-S17 PolarHBondContact O-OG 2.86Å
15I85.2Confident79.4Confident125 Ų125104.3 Ų104.364%0.64152%0.517SS*.G310 helixtrans-61.1-27.7177.269.9-171.4000112.4S13S13-I15 PolarHBondContact O-N 2.91Å; S13-I15 WeakPolarHBondContact OG-CG1 3.06Å
16Y85.9Confident80.7Confident87 Ų87103 Ų10334%0.34151%0.512SS..G310 helixtrans-95.93.1178.7-58.8-66.4000113.3W10 S13 P14 R18 Y19 W20W10-Y16 HydrophobicContact CE3-CE2 4.1Å; W10-Y16 HydrophobicContact CZ3-CE2 4.47Å; W10-Y16 WeakPolarHBondContact O-CD2 3.49Å; W10-Y16 VanDerWaalsContact O-CE2 3.25Å; W10-Y16 WeakPolarHBondContact O-CE2 3.29Å; S13-Y16 PolarHBondContact O-N 2.93Å; P14-Y16 PolarHBondContact O-N 2.93Å; Y16-R18 VanDerWaalsContact C-N 3.27Å; Y16-R18 PolarHBondContact O-N 3.48Å; Y16-Y19 WeakPolarHBondContact O-CB 3.5Å; Y16-Y19 PolarHBondContact O-N 3.29Å; Y16-Y19 VanDerWaalsContact O-N 3.09Å; Y16-W20 VanDerWaalsContact O-CD1 3.28Å; Y16-W20 PolarHBondContact O-N 3.15Å
17S85.1Confident82.2Confident63 Ų63101.3 Ų101.344%0.44149%0.493SS..Hα-helixtrans-54.3-43.3179.758.40000112.5P14 W20 Q21P14-S17 WeakPolarHBondContact O-CB 3.47Å; P14-S17 PolarHBondContact O-N 3.2Å; P14-S17 VanDerWaalsContact O-N 3.09Å; P14-S17 PolarHBondContact O-OG 2.86Å; S17-W20 PolarHBondContact O-N 3.25Å; S17-Q21 VanDerWaalsContact O-CG 3.3Å; S17-Q21 WeakPolarHBondContact O-CG 3.42Å; S17-Q21 PolarHBondContact O-N 3.5Å
18R85.6Confident83.5Confident182 Ų18298.4 Ų98.469%0.68748%0.479SS*.Hα-helixtrans-65.3-41.1178-160.1168.775.3179.23.8112.1Y16 Q21 H22Y16-R18 VanDerWaalsContact C-N 3.27Å; Y16-R18 PolarHBondContact O-N 3.48Å; R18-Q21 PolarHBondContact O-N 3.2Å; R18-H22 PolarHBondContact O-CD2 3.33Å; R18-H22 PolarHBondContact O-N 2.87Å; R18-H22 VanDerWaalsContact O-N 3.15Å
19Y89.4Confident85Confident136 Ų13699.9 Ų99.953%0.53348%0.478SS..Hα-helixtrans-59.4-48.6174169.6-93.8000111.2Y16 Q21 H22 Y23Y16-Y19 WeakPolarHBondContact O-CB 3.5Å; Y16-Y19 PolarHBondContact O-N 3.29Å; Y16-Y19 VanDerWaalsContact O-N 3.09Å; Y19-Q21 VanDerWaalsContact C-N 3.35Å; Y19-Q21 PolarHBondContact O-N 3.46Å; Y19-H22 PolarHBondContact O-N 3.42Å; Y19-Y23 WeakPolarHBondContact O-CB 3.34Å; Y19-Y23 PolarHBondContact O-N 2.92Å
20W90.8Very high86.1Confident88 Ų88101.5 Ų101.533%0.33347%0.472SS..Hα-helixtrans-67.7-32.2-179.5-72.9121.9000113.6F11 Y16 S17 Y23 R24F11-W20 HydrophobicContact CB-CZ2 4.11Å; F11-W20 AromaticContact CD2-CZ2 3.77Å; F11-W20 HydrophobicContact CD2-CZ2 3.77Å; F11-W20 HydrophobicContact CG-CZ2 4.23Å; F11-W20 PolarHBondContact O-NE1 2.94Å; Y16-W20 VanDerWaalsContact O-CD1 3.28Å; Y16-W20 PolarHBondContact O-N 3.15Å; S17-W20 PolarHBondContact O-N 3.25Å; W20-Y23 AromaticContact CE3-CD1 3.63Å; W20-Y23 HydrophobicContact CE3-CD1 3.63Å; W20-Y23 HydrophobicContact CE3-CE1 4.34Å; W20-Y23 AromaticContact CE3-CG 3.99Å; W20-Y23 HydrophobicContact CE3-CG 3.99Å; W20-Y23 AromaticContact CZ3-CD1 3.59Å; W20-Y23 HydrophobicContact CZ3-CD1 3.59Å; W20-Y23 AromaticContact CZ3-CE1 3.87Å; W20-Y23 HydrophobicContact CZ3-CE1 3.87Å; W20-Y23 HydrophobicContact CZ3-CG 4.01Å; W20-Y23 PolarHBondContact O-N 3.13Å; W20-R24 WeakPolarHBondContact O-CB 3.43Å; W20-R24 VanDerWaalsContact O-CG 3.27Å; W20-R24 WeakPolarHBondContact O-CG 3.35Å; W20-R24 PolarHBondContact O-N 3.34Å
21Q88.6Confident86.9Confident113 Ų113101.3 Ų101.353%0.52847%0.472SS..Hα-helixtrans-60.9-48.5171.2-76173.1-2.200111.1S17 R18 Y19 R24 Q25S17-Q21 VanDerWaalsContact O-CG 3.3Å; S17-Q21 WeakPolarHBondContact O-CG 3.42Å; S17-Q21 PolarHBondContact O-N 3.5Å; R18-Q21 PolarHBondContact O-N 3.2Å; Y19-Q21 VanDerWaalsContact C-N 3.35Å; Y19-Q21 PolarHBondContact O-N 3.46Å; Q21-R24 PolarHBondContact O-N 3.36Å; Q21-Q25 WeakPolarHBondContact O-CG 3.4Å; Q21-Q25 PolarHBondContact O-N 2.68Å
22H88.5Confident87.3Confident101 Ų101107.7 Ų107.747%0.46849%0.494SS..Hα-helixtrans-65.8-41.1176.9-66.1-50.8000112.3R18 Y19 R24 Q25 A26R18-H22 PolarHBondContact O-CD2 3.33Å; R18-H22 PolarHBondContact O-N 2.87Å; R18-H22 VanDerWaalsContact O-N 3.15Å; Y19-H22 PolarHBondContact O-N 3.42Å; H22-R24 VanDerWaalsContact C-N 3.32Å; H22-R24 PolarHBondContact O-N 2.98Å; H22-Q25 WeakPolarHBondContact O-CB 3.46Å; H22-Q25 PolarHBondContact O-N 3.13Å; H22-A26 WeakPolarHBondContact O-CB 3.3Å; H22-A26 PolarHBondContact O-N 3.46Å
23Y90.4Very high87.7Confident98 Ų98107.7 Ų107.738%0.38448%0.484SS..Hα-helixtrans-58.3-45.5174.6179.9-102.6000111.3Y19 W20 Q25 A26 M27Y19-Y23 WeakPolarHBondContact O-CB 3.34Å; Y19-Y23 PolarHBondContact O-N 2.92Å; W20-Y23 AromaticContact CE3-CD1 3.63Å; W20-Y23 HydrophobicContact CE3-CD1 3.63Å; W20-Y23 HydrophobicContact CE3-CE1 4.34Å; W20-Y23 AromaticContact CE3-CG 3.99Å; W20-Y23 HydrophobicContact CE3-CG 3.99Å; W20-Y23 AromaticContact CZ3-CD1 3.59Å; W20-Y23 HydrophobicContact CZ3-CD1 3.59Å; W20-Y23 AromaticContact CZ3-CE1 3.87Å; W20-Y23 HydrophobicContact CZ3-CE1 3.87Å; W20-Y23 HydrophobicContact CZ3-CG 4.01Å; W20-Y23 PolarHBondContact O-N 3.13Å; Y23-Q25 VanDerWaalsContact C-N 3.34Å; Y23-Q25 PolarHBondContact O-N 2.91Å; Y23-A26 PolarHBondContact O-N 2.95Å; Y23-M27 HydrophobicContact CD1-CG 3.94Å; Y23-M27 HydrophobicContact CD2-CG 4.18Å; Y23-M27 HydrophobicContact CE1-CE 4.36Å; Y23-M27 HydrophobicContact CE1-CG 3.64Å; Y23-M27 HydrophobicContact CE1-SD 4.25Å; Y23-M27 HydrophobicContact CE2-CG 3.87Å; Y23-M27 HydrophobicContact CE2-SD 3.92Å; Y23-M27 HydrophobicContact CG-CG 4.21Å; Y23-M27 VanDerWaalsContact O-CB 3.32Å; Y23-M27 WeakPolarHBondContact O-CB 3.45Å; Y23-M27 WeakPolarHBondContact O-CG 3.5Å; Y23-M27 PolarHBondContact O-N 3.41Å; Y23-M27 WeakPolarHBondContact OH-CE 3.45Å
24R91.8Very high87.7Confident189 Ų189110.8 Ų110.871%0.71349%0.494SS*.Hα-helixtrans-60.9-41.6176.4-77.9175.7134.5-175.2-3.9112.4W20 Q21 H22 M27 A28W20-R24 WeakPolarHBondContact O-CB 3.43Å; W20-R24 VanDerWaalsContact O-CG 3.27Å; W20-R24 WeakPolarHBondContact O-CG 3.35Å; W20-R24 PolarHBondContact O-N 3.34Å; Q21-R24 PolarHBondContact O-N 3.36Å; H22-R24 VanDerWaalsContact C-N 3.32Å; H22-R24 PolarHBondContact O-N 2.98Å; R24-M27 PolarHBondContact O-N 3.34Å; R24-A28 WeakPolarHBondContact O-CB 3.23Å; R24-A28 PolarHBondContact O-N 2.94Å
25Q84.8Confident87.5Confident123 Ų123107.1 Ų107.158%0.57548%0.476SS*.Hα-helixtrans-62.6-48.5175.7-70166.812.100111.3Q21 H22 Y23 M27 A28 W29Q21-Q25 WeakPolarHBondContact O-CG 3.4Å; Q21-Q25 PolarHBondContact O-N 2.68Å; H22-Q25 WeakPolarHBondContact O-CB 3.46Å; H22-Q25 PolarHBondContact O-N 3.13Å; Y23-Q25 VanDerWaalsContact C-N 3.34Å; Y23-Q25 PolarHBondContact O-N 2.91Å; Q25-M27 VanDerWaalsContact C-N 3.34Å; Q25-M27 PolarHBondContact O-N 3.05Å; Q25-A28 WeakPolarHBondContact O-CB 3.39Å; Q25-A28 PolarHBondContact O-N 3.34Å; Q25-W29 PolarHBondContact O-N 3.06Å
26A89.1Confident87.3Confident56 Ų56103.3 Ų103.346%0.46346%0.463SS..Hα-helixtrans-61.4-41.2177.400000112.3H22 Y23 W29 R30H22-A26 WeakPolarHBondContact O-CB 3.3Å; H22-A26 PolarHBondContact O-N 3.46Å; Y23-A26 PolarHBondContact O-N 2.95Å; A26-W29 PolarHBondContact O-N 2.94Å; A26-R30 WeakPolarHBondContact O-CB 3.27Å; A26-R30 PolarHBondContact O-N 3.45Å
27M91.4Very high86.9Confident27 Ų27105.9 Ų105.913%0.13347%0.473CS..Hα-helixtrans-68.7-34.9177-68.2-71.4-73.700112.4Y23 R24 Q25 R30 R31Y23-M27 HydrophobicContact CD1-CG 3.94Å; Y23-M27 HydrophobicContact CD2-CG 4.18Å; Y23-M27 HydrophobicContact CE1-CE 4.36Å; Y23-M27 HydrophobicContact CE1-CG 3.64Å; Y23-M27 HydrophobicContact CE1-SD 4.25Å; Y23-M27 HydrophobicContact CE2-CG 3.87Å; Y23-M27 HydrophobicContact CE2-SD 3.92Å; Y23-M27 HydrophobicContact CG-CG 4.21Å; Y23-M27 VanDerWaalsContact O-CB 3.32Å; Y23-M27 WeakPolarHBondContact O-CB 3.45Å; Y23-M27 WeakPolarHBondContact O-CG 3.5Å; Y23-M27 PolarHBondContact O-N 3.41Å; Y23-M27 WeakPolarHBondContact OH-CE 3.45Å; R24-M27 PolarHBondContact O-N 3.34Å; Q25-M27 VanDerWaalsContact C-N 3.34Å; Q25-M27 PolarHBondContact O-N 3.05Å; M27-R30 PolarHBondContact SD-NH1 3.22Å; M27-R30 PolarHBondContact SD-NH2 3.42Å; M27-R31 WeakPolarHBondContact O-CG 3.44Å; M27-R31 PolarHBondContact O-N 2.95Å; M27-R31 VanDerWaalsContact O-N 3.12Å; M27-R31 PolarHBondContact O-NE 3.05Å
28A88.3Confident86.6Confident32 Ų32110.5 Ų110.526%0.26448%0.481SS..Hα-helixtrans-65.5-45.9172.900000111.1R24 Q25 R31 R32R24-A28 WeakPolarHBondContact O-CB 3.23Å; R24-A28 PolarHBondContact O-N 2.94Å; Q25-A28 WeakPolarHBondContact O-CB 3.39Å; Q25-A28 PolarHBondContact O-N 3.34Å; A28-R31 PolarHBondContact O-N 3.5Å; A28-R32 WeakPolarHBondContact O-CG 3.45Å; A28-R32 PolarHBondContact O-N 3.37Å; A28-R32 VanDerWaalsContact O-N 3.11Å
29W88.8Confident86.1Confident153 Ų153109.1 Ų109.158%0.5848%0.48SS*.Hα-helixtrans-57.2-50.5173.5175.587.7000111.5Q25 A26 R31 R32 H33Q25-W29 PolarHBondContact O-N 3.06Å; A26-W29 PolarHBondContact O-N 2.94Å; W29-R31 VanDerWaalsContact C-N 3.31Å; W29-R31 PolarHBondContact O-N 3.19Å; W29-R32 PolarHBondContact O-N 2.89Å; W29-R32 VanDerWaalsContact O-N 3.17Å; W29-H33 HydrophobicContact CZ2-CB 4.5Å; W29-H33 AromaticContact CZ2-CD2 3.73Å; W29-H33 WeakPolarHBondContact O-CB 3.45Å; W29-H33 PolarHBondContact O-N 2.95Å
30R89.3Confident85.4Confident110 Ų110105.5 Ų105.542%0.41548%0.478SS..Hα-helixtrans-57.6-42.3-179.6-170.9-178.475.7-151.65.6112.4A26 M27 H33 Q34A26-R30 WeakPolarHBondContact O-CB 3.27Å; A26-R30 PolarHBondContact O-N 3.45Å; M27-R30 PolarHBondContact SD-NH1 3.22Å; M27-R30 PolarHBondContact SD-NH2 3.42Å; R30-H33 PolarHBondContact O-N 3.23Å; R30-Q34 HydrophobicContact CG-CG 4.45Å; R30-Q34 WeakPolarHBondContact O-CB 3.14Å; R30-Q34 VanDerWaalsContact O-CG 3.24Å; R30-Q34 WeakPolarHBondContact O-CG 3.37Å; R30-Q34 PolarHBondContact O-N 3.43Å
31R90.4Very high84.5Confident151 Ų151107.3 Ų107.357%0.5749%0.485SS*.Hα-helixtrans-65.4-44.2178.5-78.2-178.4-76.7-138.61.5112.3M27 A28 W29 H33 Q34 G35M27-R31 WeakPolarHBondContact O-CG 3.44Å; M27-R31 PolarHBondContact O-N 2.95Å; M27-R31 VanDerWaalsContact O-N 3.12Å; M27-R31 PolarHBondContact O-NE 3.05Å; A28-R31 PolarHBondContact O-N 3.5Å; W29-R31 VanDerWaalsContact C-N 3.31Å; W29-R31 PolarHBondContact O-N 3.19Å; R31-H33 VanDerWaalsContact C-N 3.34Å; R31-Q34 PolarHBondContact O-N 3.32Å; R31-G35 PolarHBondContact O-N 2.88Å
32R84.1Confident83.8Confident198 Ų198107.3 Ų107.375%0.74749%0.485SS*.Hα-helixtrans-62.5-43.8175.4-69.3177-174.8168.50.1111A28 W29 G35 A36A28-R32 WeakPolarHBondContact O-CG 3.45Å; A28-R32 PolarHBondContact O-N 3.37Å; A28-R32 VanDerWaalsContact O-N 3.11Å; W29-R32 PolarHBondContact O-N 2.89Å; W29-R32 VanDerWaalsContact O-N 3.17Å; R32-G35 PolarHBondContact O-N 3.42Å; R32-A36 PolarHBondContact O-N 2.94Å
33H86.1Confident82.9Confident84 Ų84106.5 Ų106.539%0.38950%0.496SS..Hα-helixtrans-64-41.8177.8-168-75.2000112.2W29 R30 R31 G35 A36 Y37W29-H33 HydrophobicContact CZ2-CB 4.5Å; W29-H33 AromaticContact CZ2-CD2 3.73Å; W29-H33 WeakPolarHBondContact O-CB 3.45Å; W29-H33 PolarHBondContact O-N 2.95Å; R30-H33 PolarHBondContact O-N 3.23Å; R31-H33 VanDerWaalsContact C-N 3.34Å; H33-G35 VanDerWaalsContact C-N 3.31Å; H33-G35 PolarHBondContact O-N 3.03Å; H33-A36 PolarHBondContact O-N 3.15Å; H33-Y37 VanDerWaalsContact O-CB 3.27Å; H33-Y37 WeakPolarHBondContact O-CB 3.45Å; H33-Y37 PolarHBondContact O-N 3.49Å
34Q81.9Confident81.8Confident103 Ų103105.4 Ų105.448%0.48151%0.507SS..Hα-helixtrans-61.6-39.4173.8-77.5174.6-15.800112.1R30 R31 R38R30-Q34 HydrophobicContact CG-CG 4.45Å; R30-Q34 WeakPolarHBondContact O-CB 3.14Å; R30-Q34 VanDerWaalsContact O-CG 3.24Å; R30-Q34 WeakPolarHBondContact O-CG 3.37Å; R30-Q34 PolarHBondContact O-N 3.43Å; R31-Q34 PolarHBondContact O-N 3.32Å; Q34-R38 WeakPolarHBondContact O-CB 3.48Å; Q34-R38 PolarHBondContact O-N 3.03Å
35G81.8Confident80.4Confident30 Ų30101.5 Ų101.531%0.30949%0.493SS..Hα-helixtrans-65.7-44174.600000112.8R31 R32 H33 R38 K39R31-G35 PolarHBondContact O-N 2.88Å; R32-G35 PolarHBondContact O-N 3.42Å; H33-G35 VanDerWaalsContact C-N 3.31Å; H33-G35 PolarHBondContact O-N 3.03Å; G35-R38 PolarHBondContact O-N 2.82Å; G35-K39 WeakPolarHBondContact O-CG 3.33Å; G35-K39 PolarHBondContact O-N 2.88Å
36A80.9Confident79.1Confident45 Ų4597.3 Ų97.337%0.37248%0.483SS..Hα-helixtrans-64.4-46.217600000111.8R32 H33 R38 K39 A40R32-A36 PolarHBondContact O-N 2.94Å; H33-A36 PolarHBondContact O-N 3.15Å; A36-R38 VanDerWaalsContact C-N 3.34Å; A36-R38 PolarHBondContact O-N 3.38Å; A36-K39 PolarHBondContact O-N 2.91Å; A36-A40 WeakPolarHBondContact O-CB 3.37Å; A36-A40 PolarHBondContact O-N 3.38Å
37Y77.8Confident77.5Confident141 Ų141101.4 Ų101.455%0.55351%0.505SS*.Hα-helixtrans-59-43.7175.7-179.9-95.7000111.8H33 A40 W41H33-Y37 VanDerWaalsContact O-CB 3.27Å; H33-Y37 WeakPolarHBondContact O-CB 3.45Å; H33-Y37 PolarHBondContact O-N 3.49Å; Y37-A40 PolarHBondContact O-N 3.49Å; Y37-W41 VanDerWaalsContact O-CB 3.26Å; Y37-W41 WeakPolarHBondContact O-CB 3.13Å; Y37-W41 PolarHBondContact O-N 3.5Å
38R78.4Confident75.5Confident161 Ų161104.1 Ų104.161%0.60853%0.532SS*.Hα-helixtrans-60.7-48.4175.9-175.9-173.4-56.5173.20.7111.6Q34 G35 A36 A40 W41 E42Q34-R38 WeakPolarHBondContact O-CB 3.48Å; Q34-R38 PolarHBondContact O-N 3.03Å; G35-R38 PolarHBondContact O-N 2.82Å; A36-R38 VanDerWaalsContact C-N 3.34Å; A36-R38 PolarHBondContact O-N 3.38Å; R38-A40 VanDerWaalsContact C-N 3.33Å; R38-A40 PolarHBondContact O-N 3.45Å; R38-W41 PolarHBondContact O-N 2.91Å; R38-E42 WeakPolarHBondContact CD-OE1 3.25Å; R38-E42 HydrophobicContact CG-CG 4.41Å; R38-E42 WeakPolarHBondContact CG-OE1 3.3Å; R38-E42 WeakPolarHBondContact O-CB 3.36Å; R38-E42 VanDerWaalsContact O-CG 3.28Å; R38-E42 WeakPolarHBondContact O-CG 3.28Å; R38-E42 PolarHBondContact O-N 3.29Å
39K75.3Confident73.8Confident153 Ų153107 Ų10767%0.66554%0.54SS*.Hα-helixtrans-61.6-41177.6-72.5177.2177.6-172.30112.1G35 A36 E42 A43G35-K39 WeakPolarHBondContact O-CG 3.33Å; G35-K39 PolarHBondContact O-N 2.88Å; A36-K39 PolarHBondContact O-N 2.91Å; K39-E42 PolarHBondContact O-N 3.41Å; K39-A43 VanDerWaalsContact O-CB 3.3Å; K39-A43 WeakPolarHBondContact O-CB 3.4Å; K39-A43 PolarHBondContact O-N 3.06Å
40A74.4Confident71.9Confident59 Ų59109.1 Ų109.149%0.48856%0.556SS.*Hα-helixtrans-66.2-41.7176.700000111.7A36 Y37 R38 A43 A44A36-A40 WeakPolarHBondContact O-CB 3.37Å; A36-A40 PolarHBondContact O-N 3.38Å; Y37-A40 PolarHBondContact O-N 3.49Å; R38-A40 VanDerWaalsContact C-N 3.33Å; R38-A40 PolarHBondContact O-N 3.45Å; A40-A43 PolarHBondContact O-N 2.94Å; A40-A44 VanDerWaalsContact O-CB 3.3Å; A40-A44 WeakPolarHBondContact O-CB 3.3Å; A40-A44 PolarHBondContact O-N 2.89Å
41W72.6Confident69.9Low126 Ų126114.7 Ų114.748%0.47758%0.577SS.*Hα-helixtrans-62.7-45.6174.2-172.8-97000111.8Y37 R38 A43 A44 Y45Y37-W41 VanDerWaalsContact O-CB 3.26Å; Y37-W41 WeakPolarHBondContact O-CB 3.13Å; Y37-W41 PolarHBondContact O-N 3.5Å; R38-W41 PolarHBondContact O-N 2.91Å; W41-A43 VanDerWaalsContact C-N 3.33Å; W41-A43 PolarHBondContact O-N 3.46Å; W41-A44 PolarHBondContact O-N 2.88Å; W41-Y45 AromaticContact CD2-CD2 3.78Å; W41-Y45 HydrophobicContact CD2-CD2 3.78Å; W41-Y45 HydrophobicContact CD2-CE2 4.05Å; W41-Y45 AromaticContact CE2-CD2 3.87Å; W41-Y45 AromaticContact CE3-CD2 3.82Å; W41-Y45 HydrophobicContact CE3-CD2 3.82Å; W41-Y45 AromaticContact CE3-CE2 3.6Å; W41-Y45 HydrophobicContact CE3-CE2 3.6Å; W41-Y45 HydrophobicContact CG-CD2 4.38Å; W41-Y45 HydrophobicContact CH2-CD1 4.46Å; W41-Y45 HydrophobicContact CH2-CD2 4.05Å; W41-Y45 HydrophobicContact CH2-CE1 4.1Å; W41-Y45 AromaticContact CH2-CE2 3.58Å; W41-Y45 HydrophobicContact CH2-CE2 3.58Å; W41-Y45 AromaticContact CH2-CZ 3.64Å; W41-Y45 HydrophobicContact CZ2-CD1 4.25Å; W41-Y45 HydrophobicContact CZ2-CD2 4.02Å; W41-Y45 HydrophobicContact CZ2-CE1 4.31Å; W41-Y45 HydrophobicContact CZ2-CE2 4.03Å; W41-Y45 HydrophobicContact CZ2-CG 4.18Å; W41-Y45 AromaticContact CZ3-CD2 3.96Å; W41-Y45 HydrophobicContact CZ3-CD2 3.96Å; W41-Y45 AromaticContact CZ3-CE2 3.35Å; W41-Y45 HydrophobicContact CZ3-CE2 3.35Å; W41-Y45 AromaticContact CZ3-CZ 3.79Å; W41-Y45 WeakPolarHBondContact O-CB 3.44Å; W41-Y45 WeakPolarHBondContact O-CD2 3.44Å; W41-Y45 PolarHBondContact O-N 3.07Å
42E73.1Confident67.8Low113 Ų113116.2 Ų116.253%0.52858%0.583SS.*Hα-helixtrans-63.3-37.1175.6-73.2167.4-176.200112.1R38 K39 G46R38-E42 WeakPolarHBondContact CD-OE1 3.25Å; R38-E42 HydrophobicContact CG-CG 4.41Å; R38-E42 WeakPolarHBondContact CG-OE1 3.3Å; R38-E42 WeakPolarHBondContact O-CB 3.36Å; R38-E42 VanDerWaalsContact O-CG 3.28Å; R38-E42 WeakPolarHBondContact O-CG 3.28Å; R38-E42 PolarHBondContact O-N 3.29Å; K39-E42 PolarHBondContact O-N 3.41Å; E42-G46 VanDerWaalsContact O-CA 3.25Å; E42-G46 WeakPolarHBondContact O-CA 3.41Å; E42-G46 PolarHBondContact O-N 3.2Å
43A70.9Confident65.9Low85 Ų85115.5 Ų115.570%0.70258%0.582SS**Hα-helixtrans-71.4-37.3175.900000113K39 A40 W41K39-A43 VanDerWaalsContact O-CB 3.3Å; K39-A43 WeakPolarHBondContact O-CB 3.4Å; K39-A43 PolarHBondContact O-N 3.06Å; A40-A43 PolarHBondContact O-N 2.94Å; W41-A43 VanDerWaalsContact C-N 3.33Å; W41-A43 PolarHBondContact O-N 3.46Å
44A67.1Low64Low75 Ų75115.2 Ų115.262%0.6259%0.593SS**Hα-helixtrans-77.5-33-179.800000113.2A40 W41A40-A44 VanDerWaalsContact O-CB 3.3Å; A40-A44 WeakPolarHBondContact O-CB 3.3Å; A40-A44 PolarHBondContact O-N 2.89Å; W41-A44 PolarHBondContact O-N 2.88Å
45Y61.2Low62.4Low106 Ų106115.8 Ų115.842%0.41660%0.6SS.*Hα-helixtrans-109.5-17.1-173.5-69.3-99.4000113.9W41 Q49W41-Y45 AromaticContact CD2-CD2 3.78Å; W41-Y45 HydrophobicContact CD2-CD2 3.78Å; W41-Y45 HydrophobicContact CD2-CE2 4.05Å; W41-Y45 AromaticContact CE2-CD2 3.87Å; W41-Y45 AromaticContact CE3-CD2 3.82Å; W41-Y45 HydrophobicContact CE3-CD2 3.82Å; W41-Y45 AromaticContact CE3-CE2 3.6Å; W41-Y45 HydrophobicContact CE3-CE2 3.6Å; W41-Y45 HydrophobicContact CG-CD2 4.38Å; W41-Y45 HydrophobicContact CH2-CD1 4.46Å; W41-Y45 HydrophobicContact CH2-CD2 4.05Å; W41-Y45 HydrophobicContact CH2-CE1 4.1Å; W41-Y45 AromaticContact CH2-CE2 3.58Å; W41-Y45 HydrophobicContact CH2-CE2 3.58Å; W41-Y45 AromaticContact CH2-CZ 3.64Å; W41-Y45 HydrophobicContact CZ2-CD1 4.25Å; W41-Y45 HydrophobicContact CZ2-CD2 4.02Å; W41-Y45 HydrophobicContact CZ2-CE1 4.31Å; W41-Y45 HydrophobicContact CZ2-CE2 4.03Å; W41-Y45 HydrophobicContact CZ2-CG 4.18Å; W41-Y45 AromaticContact CZ3-CD2 3.96Å; W41-Y45 HydrophobicContact CZ3-CD2 3.96Å; W41-Y45 AromaticContact CZ3-CE2 3.35Å; W41-Y45 HydrophobicContact CZ3-CE2 3.35Å; W41-Y45 AromaticContact CZ3-CZ 3.79Å; W41-Y45 WeakPolarHBondContact O-CB 3.44Å; W41-Y45 WeakPolarHBondContact O-CD2 3.44Å; W41-Y45 PolarHBondContact O-N 3.07Å; Y45-Q49 PolarHBondContact O-OE1 3.2Å
46G57.7Low61Low36 Ų36124.4 Ų124.437%0.37162%0.623SS.*  trans56.2172.5179.100000114.6E42 A48E42-G46 VanDerWaalsContact O-CA 3.25Å; E42-G46 WeakPolarHBondContact O-CA 3.41Å; E42-G46 PolarHBondContact O-N 3.2Å; G46-A48 PolarHBondContact O-N 3.42Å; G46-A48 VanDerWaalsContact O-N 3.07Å
47P55.8Low59.2Low141 Ų141130.8 Ų130.892%0.91665%0.645SS**THydrogen-bonded Turntrans-71.85.4175.927.3-32.3000114.3
48A50.4Low57.5Low84 Ų84128.4 Ų128.469%0.69466%0.655SS**THydrogen-bonded Turntrans-107.33.4-166.300000115.6G46G46-A48 PolarHBondContact O-N 3.42Å; G46-A48 VanDerWaalsContact O-N 3.07Å
49Q52Low55.9Low94 Ų94126.5 Ų126.544%0.43967%0.666SS.*THydrogen-bonded Turntrans-103.312.7-173.5-86.9-176.7-29.100116.4Y45 R51Y45-Q49 PolarHBondContact O-OE1 3.2Å; Q49-R51 VanDerWaalsContact C-N 3.25Å; Q49-R51 PolarHBondContact O-N 3.2Å
50Q48.4Very low54.1Low197 Ų197122.8 Ų122.892%0.92167%0.671SS**THydrogen-bonded Turntrans-75.7-8.1169.4-97163.7-24.800114.4
51R48.7Very low52.6Low226 Ų226125 Ų12585%0.85368%0.683SS**SBendtrans-103.6-20.6176.5-81.9-152.9175.4-150.11.1116.4Q49Q49-R51 VanDerWaalsContact C-N 3.25Å; Q49-R51 PolarHBondContact O-N 3.2Å
52R46Very low50.8Low183 Ų183125.5 Ų125.569%0.69170%0.695SS**THydrogen-bonded Turntrans-95.6-5.3-166.5-141.7179.4-161.3179.45115.7
53Y44.3Very low49.1Very low184 Ų184132 Ų13272%0.72272%0.715SS**THydrogen-bonded Turntrans-95.7-2.5-178.3-127.9-89.6000114.1
54A45.6Very low47.5Very low77 Ų77133.5 Ų133.564%0.63672%0.72SS**SBendtrans-78.7-22.2173.800000112.8
55D48.3Very low45.9Very low116 Ų116135.3 Ų135.362%0.6273%0.728SS**SBendtrans-91-19-167-56.3-16.8000113.4
56W51.7Low44.5Very low211 Ų211135.1 Ų135.180%0.79974%0.742SS**THydrogen-bonded Turntrans-86.8-5.3-175.1-79102.3000115.1
57Q44.1Very low43.4Very low179 Ų179138.1 Ų138.184%0.83676%0.758SS**THydrogen-bonded Turntrans-98.12.9177.1-67.6-141.13.200114.4
58A41.5Very low42.4Very low90 Ų90139.1 Ų139.174%0.74476%0.755SS**SBendtrans-110.65.3-172.300000115.8
59S45.5Very low41.8Very low122 Ų122141 Ų14185%0.85375%0.754SS**SBendtrans-150.8122.6178.7-156.60000113.1
60G37.7Very low41.1Very low75 Ų75144.1 Ų144.177%0.77377%0.774SS**  trans125.646.1162.500000116.6
61S41.6Very low40.9Very low104 Ų104142.3 Ų142.373%0.72777%0.765SS**  trans-72.3141.8147.3-164.10000108.1
62D35.8Very low40.5Very low137 Ų137136.4 Ų136.473%0.73376%0.764SS**  trans80.7104.8166.3-53.7-9.5000117.2
63R35.8Very low40.2Very low249 Ų249136 Ų13694%0.9477%0.77SS**  177.4128.9103.9-91.7163-177.7-127.6-0.5112.3
64S38.3Very low40Very low117 Ų117133.4 Ų133.482%0.81877%0.769SS**  trans-70.6159.8164.252.10000112.3
65S32.5Very low39.6Very low113 Ų113139.2 Ų139.279%0.7978%0.78SS**  trans146.6106.5145.8-163.70000109.3
66S31.9Very low39.4Very low102 Ų102138.2 Ų138.271%0.71378%0.782SS**  101122.189.7-173.70000112.9
67S35.5Very low39.4Very low99 Ų99134.1 Ų134.169%0.69279%0.785SS**  trans19.9132.9150.8-52.10000121.2
68N35.5Very low39.4Very low162 Ų162130.4 Ų130.487%0.86678%0.779SS**  -161.1140105.4-89.4-19.2000112.5
69D37.8Very low39.9Very low124 Ų124133.1 Ų133.166%0.66378%0.781SS**  trans-75.8149.4166.9176.240.7000109.5
70D37.2Very low40Very low160 Ų160130.8 Ų130.886%0.85677%0.765SS**  trans-162.3107157.1-91.7-36.5000110.3
71H44.2Very low41.1Very low159 Ų159134.9 Ų134.974%0.73677%0.769SS**  trans-67140.1165.1-101.2-91.1000111.5
72A38.8Very low41.8Very low102 Ų102135.9 Ų135.984%0.84377%0.765SS**  trans-147.6121.6155.200000111.3
73E40.8Very low43Very low175 Ų175138.7 Ų138.782%0.81877%0.774SS**  trans-87.6151.6178.3-64.6-159.1159.600113.9
74D39.4Very low44.2Very low129 Ų129131.4 Ų131.469%0.6976%0.76SS**  trans38.2126.8141.9-163.721.7000121.9S76D74-S76 PolarHBondContact OD1-N 3.36Å
75K38.5Very low45.5Very low198 Ų198131.8 Ų131.886%0.86175%0.753SS**  trans-150.6101140.4-71.5-56162.682.60112.2
76S43.3Very low46.8Very low96 Ų96131.8 Ų131.867%0.67175%0.748SS**  36.3106.6122.8-163.90000118.2D74 S78D74-S76 PolarHBondContact OD1-N 3.36Å; S76-S78 PolarHBondContact O-N 2.87Å
77S51Low48.2Very low124 Ų124131.5 Ų131.587%0.86775%0.746SS**  trans-79.9104.5168.4-178.20000109.9
78S44.8Very low49.3Very low101 Ų101133.9 Ų133.971%0.70675%0.751SS**  trans-90.2105.4172.4-176.60000109.1S76 S80S76-S78 PolarHBondContact O-N 2.87Å; S78-S80 PolarHBondContact O-N 2.86Å
79D52.8Low50.6Low147 Ų147132.6 Ų132.679%0.78674%0.741SS**  trans-78.391.4174.6-165.329.9000109.3
80S46.6Very low51.8Low74 Ų74135.8 Ų135.852%0.51775%0.752SS.*  trans-107.4108169.454.80000108.3S78 I82S78-S80 PolarHBondContact O-N 2.86Å; S80-I82 VanDerWaalsContact C-N 3.33Å; S80-I82 PolarHBondContact O-N 3.36Å
81D60.9Low53.4Low161 Ų161133 Ų13386%0.86174%0.736SS**  trans-61.193.5166.8-83-36.8000109.2
82I57.3Low55.2Low125 Ų125128.6 Ų128.664%0.64172%0.723SS**  trans-87.4108.5172.2-61.6165.8000106.5S80 C84S80-I82 VanDerWaalsContact C-N 3.33Å; S80-I82 PolarHBondContact O-N 3.36Å; I82-C84 VanDerWaalsContact C-N 3.33Å; I82-C84 PolarHBondContact O-N 3.43Å
83E60.8Low57.1Low196 Ų196131.1 Ų131.192%0.91672%0.718SS**  trans-67.192.4170.4-167172.8-162.700108.6D85E83-D85 PolarHBondContact O-N 3.45Å
84C59.4Low58.9Low96 Ų96130.3 Ų130.365%0.64971%0.714SS**  trans-75.2101.7178.3-710000109.7I82 V86I82-C84 VanDerWaalsContact C-N 3.33Å; I82-C84 PolarHBondContact O-N 3.43Å; C84-V86 VanDerWaalsContact O-CG2 3.22Å; C84-V86 WeakPolarHBondContact O-CG2 3.21Å; C84-V86 PolarHBondContact O-N 2.89Å
85D65.9Low61Low124 Ų124127.9 Ų127.966%0.66370%0.701SS**  trans-65.6100.3172.3-171.91000110.6E83 S87E83-D85 PolarHBondContact O-N 3.45Å; D85-S87 PolarHBondContact O-N 3.35Å; D85-S87 WeakPolarHBondContact OD1-CB 3.34Å; D85-S87 PolarHBondContact OD1-N 3.28Å; D85-S87 PolarHBondContact OD1-OG 2.82Å; D85-S87 PolarHBondContact OD2-OG 3.25Å
86V61.3Low63Low113 Ų113127.3 Ų127.369%0.68569%0.693SS**G310 helixtrans-78.2-7.6-175.2-151.50000112.1C84 N88C84-V86 VanDerWaalsContact O-CG2 3.22Å; C84-V86 WeakPolarHBondContact O-CG2 3.21Å; C84-V86 PolarHBondContact O-N 2.89Å; V86-N88 PolarHBondContact O-N 3.35Å
87S60.2Low65.1Low97 Ų97128.7 Ų128.768%0.67869%0.689SS**G310 helixtrans-71.6-16.7-170.465.80000114.3D85D85-S87 PolarHBondContact O-N 3.35Å; D85-S87 WeakPolarHBondContact OD1-CB 3.34Å; D85-S87 PolarHBondContact OD1-N 3.28Å; D85-S87 PolarHBondContact OD1-OG 2.82Å; D85-S87 PolarHBondContact OD2-OG 3.25Å
88N58.9Low66.8Low148 Ų148130 Ų13079%0.79168%0.676SS**G310 helixtrans-121.612.6-174.7-141.752.7000114.2V86 E90V86-N88 PolarHBondContact O-N 3.35Å; N88-E90 PolarHBondContact O-N 3.29Å
89M63.7Low68.8Low135 Ų135130.9 Ų130.967%0.66567%0.667SS**  trans-92.493.6-178.5-152.7169.771.600110.6I91M89-I91 PolarHBondContact O-N 2.94Å; M89-I91 VanDerWaalsContact O-N 3.08Å
90E62.3Low70.4Confident191 Ų191125.7 Ų125.789%0.89365%0.645SS**  trans-66.1107.1170-67.6-178.7177.100109N88 S92N88-E90 PolarHBondContact O-N 3.29Å; E90-S92 PolarHBondContact O-N 3.33Å; E90-S92 VanDerWaalsContact O-N 3.09Å
91I71.5Confident72.1Confident102 Ų102127.9 Ų127.952%0.52365%0.646SS.*  trans-67.5111.7175.8-59.8170.2000107.2M89 L95 R96M89-I91 PolarHBondContact O-N 2.94Å; M89-I91 VanDerWaalsContact O-N 3.08Å; I91-L95 HydrophobicContact CG2-CB 4.25Å; I91-L95 HydrophobicContact CG2-CD2 4.46Å; I91-R96 HydrophobicContact CG2-CB 4.23Å
92S81.6Confident73.2Confident66 Ų66122 Ų12246%0.46262%0.617SS.*  trans-58.1146.217772.20000110.5E90 E94 L95 R96E90-S92 PolarHBondContact O-N 3.33Å; E90-S92 VanDerWaalsContact O-N 3.09Å; S92-E94 PolarHBondContact O-N 2.9Å; S92-L95 PolarHBondContact O-N 3.04Å; S92-L95 WeakPolarHBondContact OG-CB 3.38Å; S92-L95 PolarHBondContact OG-N 3.46Å; S92-R96 PolarHBondContact O-N 3.22Å
93E78.5Confident74.5Confident155 Ų155121.9 Ų121.972%0.72461%0.613SS**Hα-helixtrans-60.8-32.4-174.7-143.6169.7-161.400112R96 Q97E93-R96 PolarHBondContact O-N 3.15Å; E93-Q97 WeakPolarHBondContact O-CG 3.43Å; E93-Q97 PolarHBondContact O-N 2.95Å; E93-Q97 VanDerWaalsContact O-N 3.17Å
94E79.4Confident75.7Confident159 Ų159119.5 Ų119.574%0.74360%0.596SS**Hα-helixtrans-65.9-42.9172.3-74.6-171.4153.400112.8S92 R96 Q97 Y98S92-E94 PolarHBondContact O-N 2.9Å; E94-R96 VanDerWaalsContact C-N 3.28Å; E94-R96 PolarHBondContact O-N 3.38Å; E94-Q97 WeakPolarHBondContact O-CB 3.49Å; E94-Q97 PolarHBondContact O-N 3.31Å; E94-Y98 PolarHBondContact O-N 3.45Å
95L81.7Confident77.1Confident78 Ų78119.9 Ų119.941%0.40859%0.588SS.*Hα-helixtrans-67.4-34.4179.5-15776.3000110.9I91 S92 Q97 Y98 F99I91-L95 HydrophobicContact CG2-CB 4.25Å; I91-L95 HydrophobicContact CG2-CD2 4.46Å; S92-L95 PolarHBondContact O-N 3.04Å; S92-L95 WeakPolarHBondContact OG-CB 3.38Å; S92-L95 PolarHBondContact OG-N 3.46Å; L95-Q97 VanDerWaalsContact C-N 3.34Å; L95-Q97 PolarHBondContact O-N 2.84Å; L95-Y98 WeakPolarHBondContact O-CB 3.27Å; L95-Y98 PolarHBondContact O-N 3.4Å; L95-F99 HydrophobicContact CD2-CE2 3.69Å; L95-F99 HydrophobicContact CD2-CZ 4.23Å; L95-F99 HydrophobicContact CG-CD2 4.2Å; L95-F99 HydrophobicContact CG-CE2 3.63Å; L95-F99 HydrophobicContact CG-CZ 4.27Å; L95-F99 WeakPolarHBondContact O-CD2 3.38Å; L95-F99 PolarHBondContact O-N 3.22Å
96R82.3Confident78.2Confident185 Ų185121.7 Ų121.770%0.69859%0.585SS**Hα-helixtrans-61.9-41.1172.3-165.6177.6-170.2144.43112.1I91 S92 E93 E94 A100I91-R96 HydrophobicContact CG2-CB 4.23Å; S92-R96 PolarHBondContact O-N 3.22Å; E93-R96 PolarHBondContact O-N 3.15Å; E94-R96 VanDerWaalsContact C-N 3.28Å; E94-R96 PolarHBondContact O-N 3.38Å; R96-A100 PolarHBondContact O-N 3.01Å; R96-A100 VanDerWaalsContact O-N 3.12Å
97Q85.8Confident79.5Confident126 Ų126121.1 Ų121.159%0.58958%0.575SS**Hα-helixtrans-67.6-38174.8-68.41733200111.9E93 E94 L95 A100 H101E93-Q97 WeakPolarHBondContact O-CG 3.43Å; E93-Q97 PolarHBondContact O-N 2.95Å; E93-Q97 VanDerWaalsContact O-N 3.17Å; E94-Q97 WeakPolarHBondContact O-CB 3.49Å; E94-Q97 PolarHBondContact O-N 3.31Å; L95-Q97 VanDerWaalsContact C-N 3.34Å; L95-Q97 PolarHBondContact O-N 2.84Å; Q97-A100 PolarHBondContact O-N 2.92Å; Q97-H101 WeakPolarHBondContact O-CB 3.34Å; Q97-H101 PolarHBondContact O-N 3Å
98Y87.3Confident80.7Confident152 Ų152121.7 Ų121.760%0.59657%0.567SS**Hα-helixtrans-63.4-45.5175.9-170.4-94.8000111.9E94 L95 A100 H101 T102E94-Y98 PolarHBondContact O-N 3.45Å; L95-Y98 WeakPolarHBondContact O-CB 3.27Å; L95-Y98 PolarHBondContact O-N 3.4Å; Y98-A100 PolarHBondContact O-N 2.87Å; Y98-H101 PolarHBondContact O-N 2.83Å; Y98-H101 VanDerWaalsContact O-N 3.15Å; Y98-T102 PolarHBondContact O-N 3.11Å; Y98-T102 PolarHBondContact O-OG1 2.84Å
99F86.5Confident81.9Confident118 Ų118118.5 Ų118.552%0.51855%0.55SS.*Hα-helixtrans-60.1-45.1174.3-72.3-57.5000111.8L95 H101 T102 E103L95-F99 HydrophobicContact CD2-CE2 3.69Å; L95-F99 HydrophobicContact CD2-CZ 4.23Å; L95-F99 HydrophobicContact CG-CD2 4.2Å; L95-F99 HydrophobicContact CG-CE2 3.63Å; L95-F99 HydrophobicContact CG-CZ 4.27Å; L95-F99 WeakPolarHBondContact O-CD2 3.38Å; L95-F99 PolarHBondContact O-N 3.22Å; F99-H101 VanDerWaalsContact C-N 3.25Å; F99-H101 PolarHBondContact O-N 2.81Å; F99-T102 PolarHBondContact O-N 3.28Å; F99-E103 VanDerWaalsContact O-CB 3.29Å; F99-E103 WeakPolarHBondContact O-CB 3.33Å; F99-E103 PolarHBondContact O-N 3.45Å
100A86.9Confident83.1Confident39 Ų39120 Ų12032%0.32255%0.548SS..Hα-helixtrans-62.7-29.6176.200000113.4R96 Q97 Y98 R104R96-A100 PolarHBondContact O-N 3.01Å; R96-A100 VanDerWaalsContact O-N 3.12Å; Q97-A100 PolarHBondContact O-N 2.92Å; Y98-A100 PolarHBondContact O-N 2.87Å; A100-R104 WeakPolarHBondContact O-CG 2.86Å; A100-R104 PolarHBondContact O-N 3.43Å; A100-R104 PolarHBondContact O-NE 3.36Å
101H82.1Confident84.5Confident119 Ų119118.8 Ų118.855%0.55154%0.535SS*.Hα-helixtrans-76.1-42.2174.6-173.3-86.4000111.7Q97 Y98 F99 E103 R104 H105Q97-H101 WeakPolarHBondContact O-CB 3.34Å; Q97-H101 PolarHBondContact O-N 3Å; Y98-H101 PolarHBondContact O-N 2.83Å; Y98-H101 VanDerWaalsContact O-N 3.15Å; F99-H101 VanDerWaalsContact C-N 3.25Å; F99-H101 PolarHBondContact O-N 2.81Å; H101-E103 VanDerWaalsContact C-N 3.31Å; H101-E103 PolarHBondContact O-N 3.21Å; H101-R104 PolarHBondContact O-N 2.96Å; H101-H105 PolarHBondContact O-N 3.17Å; H101-H105 VanDerWaalsContact O-N 3.13Å
102T84.7Confident85.1Confident39 Ų39119.5 Ų119.524%0.23954%0.537CS..Hα-helixtrans-66.7-36.7179.1-38.90000111.3Y98 F99 H105 R106Y98-T102 PolarHBondContact O-N 3.11Å; Y98-T102 PolarHBondContact O-OG1 2.84Å; F99-T102 PolarHBondContact O-N 3.28Å; T102-H105 PolarHBondContact O-N 2.85Å; T102-R106 WeakPolarHBondContact O-CG 3.41Å; T102-R106 PolarHBondContact O-N 3.38Å
103E84.9Confident85.2Confident121 Ų121122.9 Ų122.957%0.56555%0.545SS*.Hα-helixtrans-67.3-45.1176.7-161.5170-144.500111.3F99 H101 H105 R106 E107F99-E103 VanDerWaalsContact O-CB 3.29Å; F99-E103 WeakPolarHBondContact O-CB 3.33Å; F99-E103 PolarHBondContact O-N 3.45Å; H101-E103 VanDerWaalsContact C-N 3.31Å; H101-E103 PolarHBondContact O-N 3.21Å; E103-H105 VanDerWaalsContact C-N 3.32Å; E103-H105 PolarHBondContact O-N 3.04Å; E103-R106 PolarHBondContact O-N 3.41Å; E103-R106 VanDerWaalsContact O-N 3.13Å; E103-E107 WeakPolarHBondContact O-CG 3.47Å; E103-E107 PolarHBondContact O-N 2.85Å
104R85.9Confident85.5Confident146 Ų146121.1 Ų121.155%0.55154%0.537SS*.Hα-helixtrans-55.3-44.2172.3-81.5-178.8-89.6168.7-9.6112.8A100 H101 R106 E107 E108A100-R104 WeakPolarHBondContact O-CG 2.86Å; A100-R104 PolarHBondContact O-N 3.43Å; A100-R104 PolarHBondContact O-NE 3.36Å; H101-R104 PolarHBondContact O-N 2.96Å; R104-R106 PolarHBondContact O-N 3.16Å; R104-E107 PolarHBondContact O-N 3.06Å; R104-E108 WeakPolarHBondContact O-CG 3.26Å; R104-E108 PolarHBondContact O-N 2.9Å
105H88.9Confident85.7Confident104 Ų104118.2 Ų118.248%0.48153%0.526SS..Hα-helixtrans-67.4-35.8178.2-173.4-101.2000112.8H101 T102 E103 L109H101-H105 PolarHBondContact O-N 3.17Å; H101-H105 VanDerWaalsContact O-N 3.13Å; T102-H105 PolarHBondContact O-N 2.85Å; E103-H105 VanDerWaalsContact C-N 3.32Å; E103-H105 PolarHBondContact O-N 3.04Å; H105-L109 WeakPolarHBondContact O-CB 3.41Å; H105-L109 PolarHBondContact O-N 3.47Å
106R88.1Confident85.5Confident162 Ų162118.6 Ų118.661%0.61153%0.526SS*.Hα-helixtrans-67.3-39.2174.1-77.2178.4-179.6163.20.9112T102 E103 R104 R110T102-R106 WeakPolarHBondContact O-CG 3.41Å; T102-R106 PolarHBondContact O-N 3.38Å; E103-R106 PolarHBondContact O-N 3.41Å; E103-R106 VanDerWaalsContact O-N 3.13Å; R104-R106 PolarHBondContact O-N 3.16Å; R106-R110 WeakPolarHBondContact O-CG 3.49Å; R106-R110 PolarHBondContact O-N 3.33Å
107E87.6Confident85.4Confident101 Ų101112.1 Ų112.147%0.47251%0.512SS..Hα-helixtrans-67.6-39.6175.3-72.4-176.5172.400112.3E103 R104 R110 R111E103-E107 WeakPolarHBondContact O-CG 3.47Å; E103-E107 PolarHBondContact O-N 2.85Å; R104-E107 PolarHBondContact O-N 3.06Å; E107-R110 PolarHBondContact O-N 3.22Å; E107-R111 PolarHBondContact O-N 3.42Å
108E86.9Confident85Confident110 Ų110112.7 Ų112.751%0.51451%0.514SS..Hα-helixtrans-63.5-42.4174.7-78.2176.3-179.400112.3R104 R111 Q112R104-E108 WeakPolarHBondContact O-CG 3.26Å; R104-E108 PolarHBondContact O-N 2.9Å; E108-R111 PolarHBondContact O-N 3.2Å; E108-Q112 WeakPolarHBondContact O-CG 3.34Å; E108-Q112 PolarHBondContact O-N 3.42Å
109L83.8Confident84Confident81 Ų81111.9 Ų111.942%0.42452%0.516SS..Hα-helixtrans-62.9-41.7174.1-86.3164.5000112.4H105 Q112 Q113H105-L109 WeakPolarHBondContact O-CB 3.41Å; H105-L109 PolarHBondContact O-N 3.47Å; L109-Q112 PolarHBondContact O-N 2.86Å; L109-Q113 PolarHBondContact O-N 3.31Å
110R89.4Confident82.8Confident166 Ų166112.1 Ų112.163%0.62652%0.519SS*.Hα-helixtrans-62.7-46.3175.7-77.5-179.7-170.9176.43.2111.6R106 E107 Q112 Q113 E114R106-R110 WeakPolarHBondContact O-CG 3.49Å; R106-R110 PolarHBondContact O-N 3.33Å; E107-R110 PolarHBondContact O-N 3.22Å; R110-Q112 VanDerWaalsContact C-N 3.33Å; R110-Q112 PolarHBondContact O-N 2.88Å; R110-Q113 PolarHBondContact O-N 2.95Å; R110-E114 WeakPolarHBondContact O-CG 3.24Å; R110-E114 PolarHBondContact O-N 2.89Å
111R90.8Very high81.7Confident166 Ų166117.4 Ų117.463%0.62654%0.542SS*.Hα-helixtrans-60.4-40.6175.4-82.2-176.3174.2149.72112.6E107 E108 E114 L115E107-R111 PolarHBondContact O-N 3.42Å; E108-R111 PolarHBondContact O-N 3.2Å; R111-E114 PolarHBondContact O-N 3.38Å; R111-L115 VanDerWaalsContact O-CG 3.3Å; R111-L115 WeakPolarHBondContact O-CG 3.39Å; R111-L115 PolarHBondContact O-N 3.06Å
112Q83.6Confident80.8Confident117 Ų117116.7 Ų116.755%0.54755%0.55SS.*Hα-helixtrans-65.3-41.2176.2-74.9178.13200111.8E108 L109 R110 L115 E116E108-Q112 WeakPolarHBondContact O-CG 3.34Å; E108-Q112 PolarHBondContact O-N 3.42Å; L109-Q112 PolarHBondContact O-N 2.86Å; R110-Q112 VanDerWaalsContact C-N 3.33Å; R110-Q112 PolarHBondContact O-N 2.88Å; Q112-L115 PolarHBondContact O-N 3.06Å; Q112-E116 WeakPolarHBondContact O-CB 3.48Å; Q112-E116 WeakPolarHBondContact O-CG 3.39Å; Q112-E116 PolarHBondContact O-N 2.98Å
113Q83.5Confident79.7Confident136 Ų136119.4 Ų119.464%0.63656%0.557SS**Hα-helixtrans-62.4-43.3174.8-90.1-176.44.500112.6L109 R110 E116 A117L109-Q113 PolarHBondContact O-N 3.31Å; R110-Q113 PolarHBondContact O-N 2.95Å; Q113-E116 PolarHBondContact O-N 3.15Å; Q113-A117 VanDerWaalsContact O-CB 3.27Å; Q113-A117 WeakPolarHBondContact O-CB 3.11Å; Q113-A117 PolarHBondContact O-N 3.12Å
114E85.4Confident78.5Confident118 Ų118118.3 Ų118.355%0.55156%0.558SS**Hα-helixtrans-60.9-47.2176.6-74.1169.9-178.200111R110 R111 E116 A117 E118R110-E114 WeakPolarHBondContact O-CG 3.24Å; R110-E114 PolarHBondContact O-N 2.89Å; R111-E114 PolarHBondContact O-N 3.38Å; E114-E116 PolarHBondContact O-N 3.2Å; E114-A117 PolarHBondContact O-N 2.98Å; E114-E118 WeakPolarHBondContact O-CG 3.3Å; E114-E118 PolarHBondContact O-N 3.48Å
115L83.5Confident77.2Confident99 Ų99114 Ų11452%0.51855%0.549SS..Hα-helixtrans-64.5-35.9176.5-69.9170.7000113R111 Q112 Q119R111-L115 VanDerWaalsContact O-CG 3.3Å; R111-L115 WeakPolarHBondContact O-CG 3.39Å; R111-L115 PolarHBondContact O-N 3.06Å; Q112-L115 PolarHBondContact O-N 3.06Å; L115-Q119 WeakPolarHBondContact O-CB 3.27Å; L115-Q119 VanDerWaalsContact O-CG 3.23Å; L115-Q119 WeakPolarHBondContact O-CG 3.38Å; L115-Q119 PolarHBondContact O-N 2.84Å; L115-Q119 VanDerWaalsContact O-N 3.15Å; L115-Q119 PolarHBondContact O-NE2 3.01Å
116E77.7Confident75.4Confident86 Ų86113 Ų11340%0.40256%0.558SS.*Hα-helixtrans-71.8-35.3174.5-76.8-159.2138.800112Q112 Q113 E114 Q119 Q120 K194Q112-E116 WeakPolarHBondContact O-CB 3.48Å; Q112-E116 WeakPolarHBondContact O-CG 3.39Å; Q112-E116 PolarHBondContact O-N 2.98Å; Q113-E116 PolarHBondContact O-N 3.15Å; E114-E116 PolarHBondContact O-N 3.2Å; E116-Q119 PolarHBondContact O-N 3.41Å; E116-Q120 WeakPolarHBondContact O-CB 3.28Å; E116-Q120 WeakPolarHBondContact O-CG 2.87Å; E116-Q120 PolarHBondContact O-N 3.23Å; E116-Q120 PolarHBondContact O-NE2 3.34Å; E116-K194 IonicContact OE1-NZ 3.8Å; E116-K194 PolarHBondContact OE1-NZ 2.95Å
117A79.8Confident73.8Confident49 Ų49110.3 Ų110.341%0.40556%0.556SS.*Hα-helixtrans-68.8-44.9176.300000111.7Q113 E114 Q119 Q120 D121Q113-A117 VanDerWaalsContact O-CB 3.27Å; Q113-A117 WeakPolarHBondContact O-CB 3.11Å; Q113-A117 PolarHBondContact O-N 3.12Å; E114-A117 PolarHBondContact O-N 2.98Å; A117-Q119 VanDerWaalsContact C-N 3.27Å; A117-Q119 PolarHBondContact O-N 2.85Å; A117-Q120 CarbonylContact O-C 3.52Å; A117-Q120 WeakPolarHBondContact O-CA 3.46Å; A117-Q120 WeakPolarHBondContact O-CB 2.99Å; A117-Q120 PolarHBondContact O-N 3.43Å; A117-D121 PolarHBondContact O-N 3.04Å
118E77.5Confident72.3Confident138 Ų138110.9 Ų110.965%0.64556%0.559SS**Hα-helixtrans-61.1-36.8173.6-73.3179.4174.100111.8E114 D121E114-E118 WeakPolarHBondContact O-CG 3.3Å; E114-E118 PolarHBondContact O-N 3.48Å; E118-D121 PolarHBondContact O-N 3.35Å
119Q67.1Low70.6Confident135 Ų135110.5 Ų110.563%0.63156%0.56SS**Hα-helixtrans-69.7-33.9172.4-77.2175.985.900112.6L115 E116 A117 S122L115-Q119 WeakPolarHBondContact O-CB 3.27Å; L115-Q119 VanDerWaalsContact O-CG 3.23Å; L115-Q119 WeakPolarHBondContact O-CG 3.38Å; L115-Q119 PolarHBondContact O-N 2.84Å; L115-Q119 VanDerWaalsContact O-N 3.15Å; L115-Q119 PolarHBondContact O-NE2 3.01Å; E116-Q119 PolarHBondContact O-N 3.41Å; A117-Q119 VanDerWaalsContact C-N 3.27Å; A117-Q119 PolarHBondContact O-N 2.85Å; Q119-S122 PolarHBondContact O-N 3.42Å
120Q60Low68.9Low122 Ų122113.7 Ų113.757%0.5758%0.577SS**Hα-helixtrans-72.4-25.5175.6-75.9169.641.100113E116 A117 S122 Y123E116-Q120 WeakPolarHBondContact O-CB 3.28Å; E116-Q120 WeakPolarHBondContact O-CG 2.87Å; E116-Q120 PolarHBondContact O-N 3.23Å; E116-Q120 PolarHBondContact O-NE2 3.34Å; A117-Q120 CarbonylContact O-C 3.52Å; A117-Q120 WeakPolarHBondContact O-CA 3.46Å; A117-Q120 WeakPolarHBondContact O-CB 2.99Å; A117-Q120 PolarHBondContact O-N 3.43Å; Q120-S122 PolarHBondContact O-N 3.41Å; Q120-Y123 WeakPolarHBondContact O-CA 3.48Å; Q120-Y123 WeakPolarHBondContact O-CB 3.07Å; Q120-Y123 PolarHBondContact O-N 2.9Å
121D64.3Low67Low151 Ų151115.4 Ų115.481%0.80758%0.583SS**Hα-helixtrans-64.3-25.9174.6-98.71.6000112.9A117 E118 Y123A117-D121 PolarHBondContact O-N 3.04Å; E118-D121 PolarHBondContact O-N 3.35Å; D121-Y123 VanDerWaalsContact C-N 3.29Å
122S62.7Low65Low104 Ų104110.8 Ų110.873%0.72758%0.581SS**THydrogen-bonded Turntrans-79.2-11.6171.5-168.60000113Q119 Q120 V124Q119-S122 PolarHBondContact O-N 3.42Å; Q120-S122 PolarHBondContact O-N 3.41Å; S122-V124 PolarHBondContact O-N 3.09Å
123Y62Low63.3Low96 Ų96110.3 Ų110.338%0.37659%0.585SS.*  trans-81.3114.4-175.7-175.7-100.4000111.4Q120 D121 P125 P192Q120-Y123 WeakPolarHBondContact O-CA 3.48Å; Q120-Y123 WeakPolarHBondContact O-CB 3.07Å; Q120-Y123 PolarHBondContact O-N 2.9Å; D121-Y123 VanDerWaalsContact C-N 3.29Å; Y123-P125 HydrophobicContact CE1-CG 4.47Å; Y123-P125 WeakPolarHBondContact O-CD 3.32Å; Y123-P192 HydrophobicContact CE2-CB 4.37Å
124V59.6Low61.6Low98 Ų98107.3 Ų107.359%0.59459%0.592SS**  trans-92.4117.5170.3179.90000108.7S122 A126S122-V124 PolarHBondContact O-N 3.09Å; V124-A126 PolarHBondContact O-N 3.3Å
125P58.9Low60.1Low56 Ų56112.1 Ų112.136%0.36461%0.605SS.*  trans-56.6124.3174.2-24.434.2000110.6Y123 D127 Q128Y123-P125 HydrophobicContact CE1-CG 4.47Å; Y123-P125 WeakPolarHBondContact O-CD 3.32Å; P125-D127 PolarHBondContact O-N 3.17Å; P125-Q128 PolarHBondContact O-N 2.89Å
126A52.1Low58.7Low81 Ų81117.7 Ų117.767%0.66962%0.619SS**THydrogen-bonded Turntrans-62-13.5-177.400000114V124 Q128V124-A126 PolarHBondContact O-N 3.3Å; A126-Q128 VanDerWaalsContact C-N 3.32Å
127D53.8Low57.2Low106 Ų106119.8 Ų119.857%0.56764%0.643SS**THydrogen-bonded Turntrans-81.1-9.1176.9-63.9-19.9000113.2P125 D129 V190P125-D127 PolarHBondContact O-N 3.17Å; D127-D129 PolarHBondContact O-N 3.42Å; D127-V190 WeakPolarHBondContact OD1-CG2 3.2Å
128Q56.3Low55.9Low113 Ų113122 Ų12253%0.52866%0.655SS.*SBendtrans-69.698.3168-71.7-177.215.200108.3P125 A126 L130P125-Q128 PolarHBondContact O-N 2.89Å; A126-Q128 VanDerWaalsContact C-N 3.32Å; Q128-L130 PolarHBondContact O-N 3Å
129D50.6Low55.1Low103 Ų103120.9 Ų120.955%0.55167%0.669SS**  trans-51105.7177.9-169.34.7000109.5D127 R131 A132D127-D129 PolarHBondContact O-N 3.42Å; D129-R131 PolarHBondContact O-N 3.22Å; D129-R131 WeakPolarHBondContact OD1-CB 3.5Å; D129-R131 WeakPolarHBondContact OD1-CG 3.45Å; D129-R131 PolarHBondContact OD1-N 3.4Å; D129-A132 WeakPolarHBondContact O-CB 3.44Å; D129-A132 PolarHBondContact O-N 3.26Å
130L48.5Very low55Low147 Ų147117.5 Ų117.577%0.7767%0.665SS**Hα-helixtrans-57-15.9179.9-68.1169.3000112Q128Q128-L130 PolarHBondContact O-N 3Å
131R49.1Very low55.3Low202 Ų202117.2 Ų117.276%0.76267%0.674SS**Hα-helixtrans-71.6-25.1172.6-58.8-157.6-160.8-153.211.2114D129D129-R131 PolarHBondContact O-N 3.22Å; D129-R131 WeakPolarHBondContact OD1-CB 3.5Å; D129-R131 WeakPolarHBondContact OD1-CG 3.45Å; D129-R131 PolarHBondContact OD1-N 3.4Å
132A50.1Low55.5Low70 Ų70114.9 Ų114.958%0.57967%0.667SS**Hα-helixtrans-69.7-39.5175.600000111.1D129 G134 R135D129-A132 WeakPolarHBondContact O-CB 3.44Å; D129-A132 PolarHBondContact O-N 3.26Å; A132-G134 VanDerWaalsContact C-N 3.29Å; A132-G134 PolarHBondContact O-N 2.92Å; A132-R135 PolarHBondContact O-N 2.88Å; A132-R135 VanDerWaalsContact O-N 3.15Å
133V47Very low56Low106 Ų106115.6 Ų115.664%0.64268%0.679SS**Hα-helixtrans-64.3-35.6179.7-171.70000111.3R135V133-R135 VanDerWaalsContact C-N 3.26Å; V133-R135 PolarHBondContact O-N 3.44Å
134G47.4Very low56.8Low74 Ų74114.5 Ų114.576%0.76368%0.677SS**THydrogen-bonded Turntrans-71.6-14177.600000115.1A132A132-G134 VanDerWaalsContact C-N 3.29Å; A132-G134 PolarHBondContact O-N 2.92Å
135R54.7Low57.9Low219 Ų219119 Ų11983%0.82668%0.683SS**THydrogen-bonded Turntrans-98.7-10.2-171.8-154.8177.5-90-106.77.3114.3A132 V133A132-R135 PolarHBondContact O-N 2.88Å; A132-R135 VanDerWaalsContact O-N 3.15Å; V133-R135 VanDerWaalsContact C-N 3.26Å; V133-R135 PolarHBondContact O-N 3.44Å
136R53.6Low58.8Low216 Ų216122.4 Ų122.482%0.81571%0.705SS**  trans-152.5112.9179.6-66.6-170.7171.1-162.6-3.3113.4
137S47Very low60.2Low129 Ų129120.8 Ų120.890%0.90270%0.696SS**  trans-165.759.2139.8-78.70000109.4
138S52.6Low61.8Low95 Ų95120.7 Ų120.766%0.66469%0.693SS**  trans-89.8121.6155.966.20000107.3A140S138-A140 PolarHBondContact O-N 3.34Å; S138-A140 PolarHBondContact OG-O 2.87Å
139A59Low63.4Low115 Ų115123 Ų12395%0.9570%0.696SS**SBendtrans-67.3-13-178.900000113.7
140A65.8Low65.2Low65 Ų65124.7 Ų124.754%0.53770%0.695SS.*SBendtrans-97.7142.9178.200000111.7S138S138-A140 PolarHBondContact O-N 3.34Å; S138-A140 PolarHBondContact OG-O 2.87Å
141P67.1Low67.2Low116 Ų116119.9 Ų119.975%0.75368%0.677SS**PPolyproline II helixtrans-57.4140.1169.3-17.729.2000110.4A143P141-A143 PolarHBondContact O-N 3.46Å
142P68.6Low69.4Low102 Ų102113.2 Ų113.266%0.66267%0.665SS**PPolyproline II helixtrans-54.4125.9173-24.333.6000110.7E144P142-E144 PolarHBondContact O-N 2.79Å
143A71.3Confident71.4Confident118 Ų118114.7 Ų114.798%0.97566%0.66SS**SBendtrans-67.3-16.1-179.700000113.3P141P141-A143 PolarHBondContact O-N 3.46Å
144E79Confident73.7Confident73 Ų73110.7 Ų110.734%0.34163%0.634SS.*SBendtrans-117.3138.9-178.9-165.1-165.4138.700109.5P142 E148 R149P142-E144 PolarHBondContact O-N 2.79Å; E144-E148 HydrophobicContact CG-CB 4.47Å; E144-R149 WeakPolarHBondContact OE1-CB 3.48Å; E144-R149 WeakPolarHBondContact OE1-CD 3.41Å; E144-R149 WeakPolarHBondContact OE1-CG 3.48Å; E144-R149 PolarHBondContact OE1-N 3.3Å; E144-R149 WeakPolarHBondContact OE2-CD 3.35Å; E144-R149 IonicContact OE2-NH1 3.92Å
145R83Confident76Confident193 Ų193114.4 Ų114.473%0.72863%0.63SS**  trans-64.4129.1177.4-69176.5160.4175.3-4.7109.2G147 E148R145-G147 PolarHBondContact O-N 3.07Å; R145-E148 HydrophobicContact CB-CB 4.1Å; R145-E148 WeakPolarHBondContact CB-OE2 3.36Å; R145-E148 VanDerWaalsContact O-CB 3.28Å; R145-E148 WeakPolarHBondContact O-CB 3.12Å; R145-E148 PolarHBondContact O-N 3.28Å
146P77.7Confident78Confident127 Ų127113 Ų11383%0.82563%0.629SS**THydrogen-bonded Turntrans-54118.8178.9-27.134.6000111.5
147G82.4Confident80.1Confident47 Ų47108.3 Ų108.349%0.48562%0.62SS.*THydrogen-bonded Turntrans93.8-4.4179.500000115.8R145 R150 A151R145-G147 PolarHBondContact O-N 3.07Å; G147-R150 PolarHBondContact O-N 3.07Å; G147-A151 WeakPolarHBondContact O-CB 3.23Å; G147-A151 PolarHBondContact O-N 2.97Å
148E87.9Confident82.5Confident105 Ų105106.9 Ų106.949%0.49160%0.595SS.*Hα-helixtrans-65.2-47.9-179.1-173166.8-163.700112.5E144 R145 R150 A151 A152E144-E148 HydrophobicContact CG-CB 4.47Å; R145-E148 HydrophobicContact CB-CB 4.1Å; R145-E148 WeakPolarHBondContact CB-OE2 3.36Å; R145-E148 VanDerWaalsContact O-CB 3.28Å; R145-E148 WeakPolarHBondContact O-CB 3.12Å; R145-E148 PolarHBondContact O-N 3.28Å; E148-R150 PolarHBondContact O-N 3.09Å; E148-A151 PolarHBondContact O-N 2.7Å; E148-A152 PolarHBondContact O-N 3.09Å
149R89Confident84.5Confident160 Ų160104.1 Ų104.160%0.60458%0.582SS**Hα-helixtrans-58.1-44.5171.2-87.9166.881.7166.210113.6E144 A151 A152 E153E144-R149 WeakPolarHBondContact OE1-CB 3.48Å; E144-R149 WeakPolarHBondContact OE1-CD 3.41Å; E144-R149 WeakPolarHBondContact OE1-CG 3.48Å; E144-R149 PolarHBondContact OE1-N 3.3Å; E144-R149 WeakPolarHBondContact OE2-CD 3.35Å; E144-R149 IonicContact OE2-NH1 3.92Å; R149-A151 VanDerWaalsContact C-N 3.3Å; R149-A151 PolarHBondContact O-N 3.02Å; R149-A152 PolarHBondContact O-N 3.25Å; R149-E153 WeakPolarHBondContact O-CB 3.36Å; R149-E153 WeakPolarHBondContact O-CG 3.45Å; R149-E153 PolarHBondContact O-N 2.8Å
150R89.4Confident86.3Confident139 Ų139108 Ų10853%0.52558%0.581SS.*Hα-helixtrans-61.1-41.8178.8-175.6-179.4174.9-174.9-0.9110.7G147 E148 E153 M154 E169G147-R150 PolarHBondContact O-N 3.07Å; E148-R150 PolarHBondContact O-N 3.09Å; R150-E153 PolarHBondContact O-N 3.32Å; R150-M154 HydrophobicContact CG-CG 4.35Å; R150-M154 WeakPolarHBondContact O-CB 3.47Å; R150-M154 WeakPolarHBondContact O-CG 3.32Å; R150-M154 PolarHBondContact O-N 3.25Å; R150-E169 IonicContact CZ-OE2 2.94Å; R150-E169 IonicContact NH2-OE2 2.77Å; R150-E169 PolarHBondContact NH2-OE2 3.03Å
151A90.3Very high87.8Confident46 Ų46109.5 Ų109.538%0.3858%0.58SS.*Hα-helixtrans-65.5-40.4177.400000112.4G147 E148 R149 M154 K155G147-A151 WeakPolarHBondContact O-CB 3.23Å; G147-A151 PolarHBondContact O-N 2.97Å; E148-A151 PolarHBondContact O-N 2.7Å; R149-A151 VanDerWaalsContact C-N 3.3Å; R149-A151 PolarHBondContact O-N 3.02Å; A151-M154 PolarHBondContact O-N 3.08Å; A151-K155 WeakPolarHBondContact O-CB 3.34Å; A151-K155 PolarHBondContact O-N 3.46Å
152A93.4Very high89.2Confident62 Ų62104.3 Ų104.351%0.51255%0.547SS..Hα-helixtrans-65-42.1175.500000112.2E148 R149 K155 K156E148-A152 PolarHBondContact O-N 3.09Å; R149-A152 PolarHBondContact O-N 3.25Å; A152-K155 PolarHBondContact O-N 2.97Å; A152-K156 WeakPolarHBondContact O-CB 3.4Å; A152-K156 PolarHBondContact O-N 3.48Å
153E93.9Very high90.5Very high102 Ų102102.7 Ų102.748%0.47754%0.542SS..Hα-helixtrans-63.6-44.9174.6-73.3172.3-174.700111.5R149 R150 K155 K156 L157R149-E153 WeakPolarHBondContact O-CB 3.36Å; R149-E153 WeakPolarHBondContact O-CG 3.45Å; R149-E153 PolarHBondContact O-N 2.8Å; R150-E153 PolarHBondContact O-N 3.32Å; E153-K155 VanDerWaalsContact C-N 3.33Å; E153-K155 PolarHBondContact O-N 3.48Å; E153-K156 WeakPolarHBondContact O-CB 3.25Å; E153-K156 PolarHBondContact O-N 2.87Å; E153-K156 VanDerWaalsContact O-N 3.12Å; E153-L157 WeakPolarHBondContact O-CB 3.46Å; E153-L157 WeakPolarHBondContact O-CG 3.27Å; E153-L157 PolarHBondContact O-N 3.44Å
154M95.4Very high91.7Very high21 Ų21103.6 Ų103.610%0.10352%0.524CS..Hα-helixtrans-60-42.9175.7-72.8-74.9130.800111.7R150 A151 K156 L157 Y158 A162 M166R150-M154 HydrophobicContact CG-CG 4.35Å; R150-M154 WeakPolarHBondContact O-CB 3.47Å; R150-M154 WeakPolarHBondContact O-CG 3.32Å; R150-M154 PolarHBondContact O-N 3.25Å; A151-M154 PolarHBondContact O-N 3.08Å; M154-K156 VanDerWaalsContact C-N 3.32Å; M154-K156 PolarHBondContact O-N 3.4Å; M154-L157 PolarHBondContact O-N 2.95Å; M154-Y158 HydrophobicContact CE-CD2 4.49Å; M154-Y158 HydrophobicContact CE-CE2 3.79Å; M154-Y158 WeakPolarHBondContact O-CB 3.46Å; M154-Y158 WeakPolarHBondContact O-CD2 3.24Å; M154-Y158 PolarHBondContact O-N 3.44Å; M154-Y158 HydrophobicContact SD-CD2 3.66Å; M154-Y158 HydrophobicContact SD-CE2 3.48Å; M154-Y158 WeakPolarHBondContact SD-CE2 3.41Å; M154-A162 HydrophobicContact CB-CB 4.25Å; M154-A162 WeakPolarHBondContact O-CB 3.47Å; M154-M166 HydrophobicContact CB-CG 4.27Å; M154-M166 HydrophobicContact CB-SD 4Å; M154-M166 HydrophobicContact CG-CG 3.89Å; M154-M166 HydrophobicContact CG-SD 3.89Å; M154-M166 HydrophobicContact SD-CG 4.04Å
155K95.3Very high92.6Very high153 Ų153102.4 Ų102.467%0.66552%0.519SS*.Hα-helixtrans-65.8-34.4175.8-167.2174.1-176.2177.70112.2A151 A152 E153 G159A151-K155 WeakPolarHBondContact O-CB 3.34Å; A151-K155 PolarHBondContact O-N 3.46Å; A152-K155 PolarHBondContact O-N 2.97Å; E153-K155 VanDerWaalsContact C-N 3.33Å; E153-K155 PolarHBondContact O-N 3.48Å; K155-G159 VanDerWaalsContact O-CA 3.26Å; K155-G159 WeakPolarHBondContact O-CA 3.25Å; K155-G159 PolarHBondContact O-N 3.28Å
156K97.1Very high93.2Very high188 Ų18896.3 Ų96.382%0.81750%0.5SS*.Hα-helixtrans-69.1-39.9175-174.3-177.4178.2-176.70112.3A152 E153 M154A152-K156 WeakPolarHBondContact O-CB 3.4Å; A152-K156 PolarHBondContact O-N 3.48Å; E153-K156 WeakPolarHBondContact O-CB 3.25Å; E153-K156 PolarHBondContact O-N 2.87Å; E153-K156 VanDerWaalsContact O-N 3.12Å; M154-K156 VanDerWaalsContact C-N 3.32Å; M154-K156 PolarHBondContact O-N 3.4Å
157L96.9Very high94.1Very high118 Ų11893.2 Ų93.262%0.61849%0.485SS*.Hα-helixtrans-80.9-44.3-176.4-68.9172.3000113E153 M154E153-L157 WeakPolarHBondContact O-CB 3.46Å; E153-L157 WeakPolarHBondContact O-CG 3.27Å; E153-L157 PolarHBondContact O-N 3.44Å; M154-L157 PolarHBondContact O-N 2.95Å
158Y96.4Very high94.9Very high99 Ų9996 Ų9639%0.38849%0.487SS..Hα-helixtrans-114.4-3.3-168.3-55-70.6000113.5M154 Q160 D161 I165M154-Y158 HydrophobicContact CE-CD2 4.49Å; M154-Y158 HydrophobicContact CE-CE2 3.79Å; M154-Y158 WeakPolarHBondContact O-CB 3.46Å; M154-Y158 WeakPolarHBondContact O-CD2 3.24Å; M154-Y158 PolarHBondContact O-N 3.44Å; M154-Y158 HydrophobicContact SD-CD2 3.66Å; M154-Y158 HydrophobicContact SD-CE2 3.48Å; M154-Y158 WeakPolarHBondContact SD-CE2 3.41Å; Y158-Q160 PolarHBondContact O-N 3.39Å; Y158-D161 PolarHBondContact O-N 3.05Å; Y158-I165 HydrophobicContact CD1-CG1 4.15Å; Y158-I165 HydrophobicContact CD2-CG2 4.42Å; Y158-I165 HydrophobicContact CE2-CG2 4.28Å; Y158-I165 HydrophobicContact CG-CG1 4.21Å
159G96.4Very high95.2Very high38 Ų3894 Ų9439%0.39248%0.477SS..G310 helixtrans58.7-123.1174.500000113K155 D161 A162K155-G159 VanDerWaalsContact O-CA 3.26Å; K155-G159 WeakPolarHBondContact O-CA 3.25Å; K155-G159 PolarHBondContact O-N 3.28Å; G159-D161 VanDerWaalsContact C-N 3.31Å; G159-A162 WeakPolarHBondContact O-CB 3.41Å; G159-A162 PolarHBondContact O-N 3.32Å
160Q95.9Very high95.6Very high196 Ų19688.8 Ų88.892%0.91647%0.468SS*.G310 helixtrans-68.5-29.3179.6-63.8-178.63.700112.5Y158 A162Y158-Q160 PolarHBondContact O-N 3.39Å; Q160-A162 VanDerWaalsContact C-N 3.26Å; Q160-A162 PolarHBondContact O-N 2.95Å
161D96.7Very high96Very high97 Ų9784.7 Ų84.752%0.51946%0.464SS..G310 helixtrans-82-2.3-179.1-72.2-35.6000113.3Y158 G159 A163 K164 I165Y158-D161 PolarHBondContact O-N 3.05Å; G159-D161 VanDerWaalsContact C-N 3.31Å; D161-A163 VanDerWaalsContact C-N 3.25Å; D161-A163 PolarHBondContact O-N 3.46Å; D161-K164 WeakPolarHBondContact O-CA 3.44Å; D161-K164 WeakPolarHBondContact O-CB 3.48Å; D161-K164 PolarHBondContact O-N 2.92Å; D161-I165 PolarHBondContact O-N 3.4Å
162A97.1Very high96.2Very high7 Ų789.2 Ų89.26%0.05848%0.479CS..Hα-helixtrans-52.6-42.8-179.400000112.7M154 G159 Q160 K164 I165 M166M154-A162 HydrophobicContact CB-CB 4.25Å; M154-A162 WeakPolarHBondContact O-CB 3.47Å; G159-A162 WeakPolarHBondContact O-CB 3.41Å; G159-A162 PolarHBondContact O-N 3.32Å; Q160-A162 VanDerWaalsContact C-N 3.26Å; Q160-A162 PolarHBondContact O-N 2.95Å; A162-K164 VanDerWaalsContact C-N 3.34Å; A162-K164 PolarHBondContact O-N 3.4Å; A162-I165 PolarHBondContact O-N 3.44Å; A162-M166 WeakPolarHBondContact O-CB 3.42Å; A162-M166 VanDerWaalsContact O-CG 3.27Å; A162-M166 WeakPolarHBondContact O-CG 3.32Å; A162-M166 PolarHBondContact O-N 2.77Å
163A95.8Very high96.3Very high68 Ų6891.1 Ų91.156%0.56248%0.478SS*.Hα-helixtrans-63.7-39.7177.800000112.3D161 A167D161-A163 VanDerWaalsContact C-N 3.25Å; D161-A163 PolarHBondContact O-N 3.46Å; A163-A167 WeakPolarHBondContact O-CB 3.42Å; A163-A167 PolarHBondContact O-N 3.12Å
164K97.7Very high96.4Very high136 Ų13691.9 Ų91.959%0.59148%0.484SS*.Hα-helixtrans-65.7-46.3178.5-177.9-178.4177.3-177.70111.2D161 A162 A167 M168D161-K164 WeakPolarHBondContact O-CA 3.44Å; D161-K164 WeakPolarHBondContact O-CB 3.48Å; D161-K164 PolarHBondContact O-N 2.92Å; A162-K164 VanDerWaalsContact C-N 3.34Å; A162-K164 PolarHBondContact O-N 3.4Å; K164-A167 PolarHBondContact O-N 2.94Å; K164-M168 HydrophobicContact CG-SD 4.43Å; K164-M168 WeakPolarHBondContact O-CG 3.48Å; K164-M168 PolarHBondContact O-N 3.42Å
165I96.9Very high96.4Very high48 Ų4895 Ų9525%0.24650%0.504CS..Hα-helixtrans-64.7-45.9178.5-60.4-57.6000110.9Y158 D161 A162 A167 M168 E169Y158-I165 HydrophobicContact CD1-CG1 4.15Å; Y158-I165 HydrophobicContact CD2-CG2 4.42Å; Y158-I165 HydrophobicContact CE2-CG2 4.28Å; Y158-I165 HydrophobicContact CG-CG1 4.21Å; D161-I165 PolarHBondContact O-N 3.4Å; A162-I165 PolarHBondContact O-N 3.44Å; I165-A167 VanDerWaalsContact C-N 3.28Å; I165-A167 PolarHBondContact O-N 2.8Å; I165-M168 PolarHBondContact O-N 2.99Å; I165-M168 VanDerWaalsContact O-N 3.12Å; I165-E169 HydrophobicContact CG2-CG 4.45Å; I165-E169 WeakPolarHBondContact O-CG 3.41Å; I165-E169 PolarHBondContact O-N 2.92Å
166M95.3Very high96.2Very high66 Ų6693.5 Ų93.533%0.32550%0.498SS..Hα-helixtrans-59-39.6176-73.6-171.8-62.500112.2M154 A162 E169 A170M154-M166 HydrophobicContact CB-CG 4.27Å; M154-M166 HydrophobicContact CB-SD 4Å; M154-M166 HydrophobicContact CG-CG 3.89Å; M154-M166 HydrophobicContact CG-SD 3.89Å; M154-M166 HydrophobicContact SD-CG 4.04Å; A162-M166 WeakPolarHBondContact O-CB 3.42Å; A162-M166 VanDerWaalsContact O-CG 3.27Å; A162-M166 WeakPolarHBondContact O-CG 3.32Å; A162-M166 PolarHBondContact O-N 2.77Å; M166-E169 PolarHBondContact O-N 2.88Å; M166-A170 WeakPolarHBondContact O-CB 3.25Å; M166-A170 PolarHBondContact O-N 3.11Å
167A96.9Very high95.8Very high61 Ų6187.3 Ų87.350%0.50447%0.474SS..Hα-helixtrans-65.1-41176.100000112.1A163 K164 I165 A170 A171A163-A167 WeakPolarHBondContact O-CB 3.42Å; A163-A167 PolarHBondContact O-N 3.12Å; K164-A167 PolarHBondContact O-N 2.94Å; I165-A167 VanDerWaalsContact C-N 3.28Å; I165-A167 PolarHBondContact O-N 2.8Å; A167-A170 PolarHBondContact O-N 3.23Å; A167-A171 WeakPolarHBondContact O-CB 3.5Å; A167-A171 PolarHBondContact O-N 3.16Å
168M98.1Very high95.5Very high107 Ų10790.2 Ų90.253%0.52748%0.477SS..Hα-helixtrans-64.5-45.1175.8-70177.273.500111.8K164 I165 A170 A171 M172K164-M168 HydrophobicContact CG-SD 4.43Å; K164-M168 WeakPolarHBondContact O-CG 3.48Å; K164-M168 PolarHBondContact O-N 3.42Å; I165-M168 PolarHBondContact O-N 2.99Å; I165-M168 VanDerWaalsContact O-N 3.12Å; M168-A170 PolarHBondContact O-N 2.89Å; M168-A171 PolarHBondContact O-N 3.31Å; M168-M172 WeakPolarHBondContact O-CG 3.23Å; M168-M172 PolarHBondContact O-N 3.31Å
169E96Very high95Very high62 Ų6289.8 Ų89.829%0.2948%0.481SS..Hα-helixtrans-59.7-45.4175.5-72.5179.6-178.600111.7R150 I165 M166 A171 M172 Q173R150-E169 IonicContact CZ-OE2 2.94Å; R150-E169 IonicContact NH2-OE2 2.77Å; R150-E169 PolarHBondContact NH2-OE2 3.03Å; I165-E169 HydrophobicContact CG2-CG 4.45Å; I165-E169 WeakPolarHBondContact O-CG 3.41Å; I165-E169 PolarHBondContact O-N 2.92Å; M166-E169 PolarHBondContact O-N 2.88Å; E169-A171 PolarHBondContact O-N 3.18Å; E169-M172 PolarHBondContact O-N 3.26Å; E169-Q173 WeakPolarHBondContact O-CB 3.3Å; E169-Q173 PolarHBondContact O-N 3.49Å
170A96.3Very high94.3Very high51 Ų5190.7 Ų90.742%0.42148%0.481SS..Hα-helixtrans-62.4-43.4177.500000111.3M166 A167 M168 M172 Q173 L174M166-A170 WeakPolarHBondContact O-CB 3.25Å; M166-A170 PolarHBondContact O-N 3.11Å; A167-A170 PolarHBondContact O-N 3.23Å; M168-A170 PolarHBondContact O-N 2.89Å; A170-M172 VanDerWaalsContact C-N 3.34Å; A170-M172 PolarHBondContact O-N 3.37Å; A170-Q173 PolarHBondContact O-N 3.46Å; A170-L174 WeakPolarHBondContact O-CB 3.33Å; A170-L174 VanDerWaalsContact O-CG 3.25Å; A170-L174 WeakPolarHBondContact O-CG 3.43Å; A170-L174 PolarHBondContact O-N 3.47Å
171A97.8Very high93.6Very high53 Ų5386.2 Ų86.244%0.43846%0.463SS..Hα-helixtrans-60.6-42.8175.600000111.9A167 M168 E169 L174 V175A167-A171 WeakPolarHBondContact O-CB 3.5Å; A167-A171 PolarHBondContact O-N 3.16Å; M168-A171 PolarHBondContact O-N 3.31Å; E169-A171 PolarHBondContact O-N 3.18Å; A171-L174 PolarHBondContact O-N 3.5Å; A171-V175 WeakPolarHBondContact O-CG2 3.31Å; A171-V175 PolarHBondContact O-N 3.44Å
172M95.9Very high92.8Very high140 Ų14087.7 Ų87.769%0.6947%0.47SS*.Hα-helixtrans-64.1-42.7175.9-71.9179.564.700112.3M168 E169 A170 V175 F176M168-M172 WeakPolarHBondContact O-CG 3.23Å; M168-M172 PolarHBondContact O-N 3.31Å; E169-M172 PolarHBondContact O-N 3.26Å; A170-M172 VanDerWaalsContact C-N 3.34Å; A170-M172 PolarHBondContact O-N 3.37Å; M172-V175 PolarHBondContact O-N 3.19Å; M172-F176 PolarHBondContact O-N 2.96Å
173Q94.8Very high91.8Very high103 Ų10395.3 Ų95.348%0.48150%0.502SS..Hα-helixtrans-62.8-43.4176.4-170.364.249.300111.1E169 A170 V175 F176 D177E169-Q173 WeakPolarHBondContact O-CB 3.3Å; E169-Q173 PolarHBondContact O-N 3.49Å; A170-Q173 PolarHBondContact O-N 3.46Å; Q173-V175 VanDerWaalsContact C-N 3.32Å; Q173-V175 PolarHBondContact O-N 3.39Å; Q173-F176 WeakPolarHBondContact O-CB 3.36Å; Q173-F176 PolarHBondContact O-N 2.95Å; Q173-F176 VanDerWaalsContact O-N 3.16Å; Q173-D177 PolarHBondContact NE2-OD1 3.28Å; Q173-D177 WeakPolarHBondContact O-CB 3.49Å; Q173-D177 PolarHBondContact O-N 3.45Å
174L95.4Very high90.5Very high118 Ų11899 Ų9962%0.61851%0.508SS*.Hα-helixtrans-61.8-38.4176.5-72.3173.5000112.4A170 A171 R178A170-L174 WeakPolarHBondContact O-CB 3.33Å; A170-L174 VanDerWaalsContact O-CG 3.25Å; A170-L174 WeakPolarHBondContact O-CG 3.43Å; A170-L174 PolarHBondContact O-N 3.47Å; A171-L174 PolarHBondContact O-N 3.5Å; L174-R178 VanDerWaalsContact O-CB 3.24Å; L174-R178 WeakPolarHBondContact O-CB 3.34Å; L174-R178 PolarHBondContact O-N 3.24Å
175V95.1Very high88.9Confident86 Ų8696.7 Ų96.752%0.52151%0.506SS..Hα-helixtrans-66.4-41.5175171.50000110.9A171 M172 Q173 N179A171-V175 WeakPolarHBondContact O-CG2 3.31Å; A171-V175 PolarHBondContact O-N 3.44Å; M172-V175 PolarHBondContact O-N 3.19Å; Q173-V175 VanDerWaalsContact C-N 3.32Å; Q173-V175 PolarHBondContact O-N 3.39Å; V175-N179 VanDerWaalsContact O-CG 3.24Å; V175-N179 PolarHBondContact O-N 2.99Å; V175-N179 VanDerWaalsContact O-N 3.11Å; V175-N179 PolarHBondContact O-ND2 2.98Å
176F91.8Very high87.4Confident121 Ų121103.7 Ų103.753%0.53154%0.535SS..Hα-helixtrans-62.1-51.1175.3175.5-94000111.4M172 Q173 R178 N179 C180M172-F176 PolarHBondContact O-N 2.96Å; Q173-F176 WeakPolarHBondContact O-CB 3.36Å; Q173-F176 PolarHBondContact O-N 2.95Å; Q173-F176 VanDerWaalsContact O-N 3.16Å; F176-R178 VanDerWaalsContact C-N 3.33Å; F176-R178 PolarHBondContact O-N 3.46Å; F176-N179 WeakPolarHBondContact O-CB 3.35Å; F176-N179 PolarHBondContact O-N 3.12Å; F176-C180 WeakPolarHBondContact CE1-SG 3.34Å; F176-C180 WeakPolarHBondContact CZ-SG 3.26Å; F176-C180 PolarHBondContact O-N 2.93Å; F176-C180 PolarHBondContact O-SG 3.32Å
177D88.9Confident85.9Confident59 Ų59109.8 Ų109.832%0.31656%0.556SS.*Hα-helixtrans-59.6-44.7-179.8-65.3-14.4000110.3Q173 N179 C180 D181Q173-D177 PolarHBondContact NE2-OD1 3.28Å; Q173-D177 WeakPolarHBondContact O-CB 3.49Å; Q173-D177 PolarHBondContact O-N 3.45Å; D177-N179 VanDerWaalsContact C-N 3.29Å; D177-N179 PolarHBondContact O-N 3Å; D177-C180 CarbonylContact O-C 3.6Å; D177-C180 WeakPolarHBondContact O-CB 3.4Å; D177-C180 PolarHBondContact O-N 3.32Å; D177-C180 VanDerWaalsContact O-N 3.07Å; D177-D181 WeakPolarHBondContact O-CB 3.47Å; D177-D181 VanDerWaalsContact O-CG 3.27Å; D177-D181 PolarHBondContact O-N 2.95Å
178R90.4Very high84.4Confident179 Ų179118 Ų11868%0.67557%0.574SS**Hα-helixtrans-54.3-44.8173.2-178.3-178.4178.3174.70.5112L174 F176 L182L174-R178 VanDerWaalsContact O-CB 3.24Å; L174-R178 WeakPolarHBondContact O-CB 3.34Å; L174-R178 PolarHBondContact O-N 3.24Å; F176-R178 VanDerWaalsContact C-N 3.33Å; F176-R178 PolarHBondContact O-N 3.46Å; R178-L182 VanDerWaalsContact O-CG 3.25Å; R178-L182 WeakPolarHBondContact O-CG 3.36Å; R178-L182 PolarHBondContact O-N 3.5Å; R178-L182 VanDerWaalsContact O-N 3.09Å
179N86Confident82.3Confident90 Ų90116 Ų11648%0.48157%0.569SS.*Hα-helixtrans-70.4-32.4179.7-68.8-24.6000112.6V175 F176 D177V175-N179 VanDerWaalsContact O-CG 3.24Å; V175-N179 PolarHBondContact O-N 2.99Å; V175-N179 VanDerWaalsContact O-N 3.11Å; V175-N179 PolarHBondContact O-ND2 2.98Å; F176-N179 WeakPolarHBondContact O-CB 3.35Å; F176-N179 PolarHBondContact O-N 3.12Å; D177-N179 VanDerWaalsContact C-N 3.29Å; D177-N179 PolarHBondContact O-N 3Å
180C80.6Confident80.5Confident57 Ų57116.2 Ų116.239%0.38557%0.574SS.*Hα-helixtrans-70-44173.4-71.20000111.9F176 D177 L182 K183 Q184F176-C180 WeakPolarHBondContact CE1-SG 3.34Å; F176-C180 WeakPolarHBondContact CZ-SG 3.26Å; F176-C180 PolarHBondContact O-N 2.93Å; F176-C180 PolarHBondContact O-SG 3.32Å; D177-C180 CarbonylContact O-C 3.6Å; D177-C180 WeakPolarHBondContact O-CB 3.4Å; D177-C180 PolarHBondContact O-N 3.32Å; D177-C180 VanDerWaalsContact O-N 3.07Å; C180-L182 VanDerWaalsContact C-N 3.31Å; C180-L182 PolarHBondContact O-N 3.05Å; C180-K183 PolarHBondContact O-N 2.86Å; C180-K183 VanDerWaalsContact O-N 3.07Å; C180-Q184 PolarHBondContact O-N 3.35Å
181D82.1Confident78.7Confident101 Ų101118.7 Ų118.754%0.5458%0.58SS.*Hα-helixtrans-63.8-35.7179.1-72.7-21.6000111.9D177 K183 Q184D177-D181 WeakPolarHBondContact O-CB 3.47Å; D177-D181 VanDerWaalsContact O-CG 3.27Å; D177-D181 PolarHBondContact O-N 2.95Å; D181-K183 PolarHBondContact O-N 3.27Å; D181-K183 VanDerWaalsContact O-N 3.17Å; D181-Q184 WeakPolarHBondContact O-CG 3.47Å; D181-Q184 PolarHBondContact O-N 3.29Å
182L79.4Confident76.7Confident129 Ų129120.3 Ų120.368%0.67559%0.585SS**THydrogen-bonded Turntrans-59.1-27.9174.3-76.9174.6000113.2R178 C180R178-L182 VanDerWaalsContact O-CG 3.25Å; R178-L182 WeakPolarHBondContact O-CG 3.36Å; R178-L182 PolarHBondContact O-N 3.5Å; R178-L182 VanDerWaalsContact O-N 3.09Å; C180-L182 VanDerWaalsContact C-N 3.31Å; C180-L182 PolarHBondContact O-N 3.05Å
183K75.8Confident74.7Confident166 Ų166118.8 Ų118.872%0.72258%0.579SS**THydrogen-bonded Turntrans-91.3-26.5-177.6-65.5-60.6-176.7-175.90112.9C180 D181 P185C180-K183 PolarHBondContact O-N 2.86Å; C180-K183 VanDerWaalsContact O-N 3.07Å; D181-K183 PolarHBondContact O-N 3.27Å; D181-K183 VanDerWaalsContact O-N 3.17Å; K183-P185 VanDerWaalsContact O-CA 3.32Å; K183-P185 WeakPolarHBondContact O-CA 3.47Å; K183-P185 VanDerWaalsContact O-CD 3.23Å; K183-P185 WeakPolarHBondContact O-CD 3.38Å
184Q68.4Low72.8Confident146 Ų146122.2 Ų122.268%0.68259%0.593SS**  trans1.868.7-168.5-85.4-166.514.100112.5C180 D181 K186C180-Q184 PolarHBondContact O-N 3.35Å; D181-Q184 WeakPolarHBondContact O-CG 3.47Å; D181-Q184 PolarHBondContact O-N 3.29Å; Q184-K186 PolarHBondContact O-N 3.09Å
185P65Low70.8Confident87 Ų87127.4 Ų127.457%0.56562%0.62SS**  trans-71.1106.4-169.925.3-30.5000105.9K183 Y187K183-P185 VanDerWaalsContact O-CA 3.32Å; K183-P185 WeakPolarHBondContact O-CA 3.47Å; K183-P185 VanDerWaalsContact O-CD 3.23Å; K183-P185 WeakPolarHBondContact O-CD 3.38Å; P185-Y187 PolarHBondContact O-N 2.9Å
186K64.9Low69.6Low196 Ų196129.5 Ų129.585%0.85263%0.625SS**  trans-55115.6168-77.3-176.9176.3-1790106.1Q184 W188Q184-K186 PolarHBondContact O-N 3.09Å; K186-W188 PolarHBondContact O-N 3.37Å; K186-W188 VanDerWaalsContact O-N 3.16Å
187Y63.8Low68.4Low193 Ų193129.9 Ų129.976%0.75763%0.63SS**PPolyproline II helixtrans-57.4126.3178.6-68.7-75.1000107.8P185P185-Y187 PolarHBondContact O-N 2.9Å
188W66.2Low67.3Low235 Ų235133.8 Ų133.889%0.8965%0.647SS**SBendtrans-52.6150.7-174.7-175.1-107.5000112.7K186K186-W188 PolarHBondContact O-N 3.37Å; K186-W188 VanDerWaalsContact O-N 3.16Å
189P54.3Low65.9Low65 Ų65131.2 Ų131.242%0.42265%0.646SS.*PPolyproline II helix-60.4147.4-105.837.8-37.6000113.8I191P189-I191 HydrophobicContact CB-CD1 4.23Å; P189-I191 HydrophobicContact CB-CG1 3.84Å; P189-I191 HydrophobicContact CG-CB 4.5Å; P189-I191 HydrophobicContact CG-CD1 3.39Å; P189-I191 HydrophobicContact CG-CG1 3.51Å; P189-I191 PolarHBondContact O-N 2.86Å
190V56.8Low64.6Low66 Ų66133.8 Ų133.840%0.466%0.656SS.*  trans-68.768158.3-171.60000107.9D127 P192D127-V190 WeakPolarHBondContact OD1-CG2 3.2Å; V190-P192 WeakPolarHBondContact O-CD 3.41Å
191I60.1Low63.6Low103 Ų103138.9 Ų138.953%0.52867%0.674SS.*  trans-79.1117.3166.9-67.9165.3000105.4P189 L193P189-I191 HydrophobicContact CB-CD1 4.23Å; P189-I191 HydrophobicContact CB-CG1 3.84Å; P189-I191 HydrophobicContact CG-CB 4.5Å; P189-I191 HydrophobicContact CG-CD1 3.39Å; P189-I191 HydrophobicContact CG-CG1 3.51Å; P189-I191 PolarHBondContact O-N 2.86Å; I191-L193 HydrophobicContact CG2-CD2 4.18Å; I191-L193 PolarHBondContact O-N 2.98Å
192P56Low62.2Low86 Ų86141.6 Ų141.656%0.55868%0.683SS**  trans-61.4103.8171.3-13.728000107.5Y123 V190 K194Y123-P192 HydrophobicContact CE2-CB 4.37Å; V190-P192 WeakPolarHBondContact O-CD 3.41Å; P192-K194 PolarHBondContact O-N 3.03Å
193L52.1Low60.9Low108 Ų108142.5 Ų142.557%0.56568%0.684SS**  trans-84.2103.3170-67.2176.2000106.3I191 L195I191-L193 HydrophobicContact CG2-CD2 4.18Å; I191-L193 PolarHBondContact O-N 2.98Å; L193-L195 HydrophobicContact CB-CG 4.45Å; L193-L195 PolarHBondContact O-N 3.07Å
194K56Low59.7Low175 Ų175140.6 Ų140.676%0.76168%0.681SS**  trans-65.199.5162.3-61.3-172.6178.1-169.10106.1E116 P192E116-K194 IonicContact OE1-NZ 3.8Å; E116-K194 PolarHBondContact OE1-NZ 2.95Å; P192-K194 PolarHBondContact O-N 3.03Å
195L52.8Low58.9Low227 Ų227140.1 Ų140.1100%1.18868%0.681SS**  trans-92.40176.4-78.6175000111.1L193L193-L195 HydrophobicContact CB-CG 4.45Å; L193-L195 PolarHBondContact O-N 3.07Å

Retrieved 195 of 195 residues in 99.1 ms (Link to these results)

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