A0A096M940_POEFO Loading...

Homeobox domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M940, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 317 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
1R68.5Low87.5Confident300 Ų300141.8 Ų141.8100%1.13267%0.669SS**  0125.10-81.3179.8166.2-162.5-4.2109.1
2K80.8Confident88.3Confident208 Ų208134.6 Ų134.690%0.90464%0.635SS**PPolyproline II helixtrans-72.2130172.4-72174.8176.5174.90108.3
3K75.8Confident89Confident186 Ų186129.7 Ų129.781%0.80961%0.614SS**PPolyproline II helixtrans-70.4127.2173.9-94163.6174.1165.80108.6R5K3-R5 PolarHBondContact O-N 3.49Å
4T82.1Confident89.6Confident129 Ų129129.4 Ų129.479%0.79161%0.613SS**PPolyproline II helixtrans-55.7134.7176.4-50.80000110
5R88.3Confident90.1Very high217 Ų217126.4 Ų126.482%0.81960%0.598SS**PPolyproline II helixtrans-74.6129179.8-172174.3173.8175.2-3.5108.8K3K3-R5 PolarHBondContact O-N 3.49Å
6T87.3Confident90.6Very high49 Ų49118.5 Ų118.530%0.30156%0.56SS.*PPolyproline II helixtrans-76.5130.4172-48.70000108.6Y8 V40 R44T6-Y8 HydrophobicContact CG2-CE1 4.14Å; T6-V40 HydrophobicContact CG2-CG1 4.35Å; T6-R44 WeakPolarHBondContact OG1-CD 3.37Å
7L93.1Very high91.1Very high147 Ų147114.2 Ų114.277%0.7754%0.54SS*.PPolyproline II helixtrans-101.9134.6169.8-58.6178.9000107.4
8Y95.6Very high91.4Very high53 Ų53110.9 Ų110.921%0.20854%0.536CS..  trans-105.8139.6176.3-60.7-78.1000108.4T6 L13 L16 V38 V40 R44 W48T6-Y8 HydrophobicContact CG2-CE1 4.14Å; Y8-L13 HydrophobicContact CD2-CD2 4.13Å; Y8-L13 HydrophobicContact CG-CD2 4.12Å; Y8-L16 HydrophobicContact CD1-CD1 4.42Å; Y8-L16 HydrophobicContact CE1-CD1 4.41Å; Y8-V38 HydrophobicContact CD1-CG1 4.49Å; Y8-V40 HydrophobicContact CD1-CG1 4.45Å; Y8-V40 HydrophobicContact CE1-CG1 3.94Å; Y8-V40 HydrophobicContact CE1-CG2 4.33Å; Y8-R44 WeakPolarHBondContact OH-CB 3.31Å; Y8-R44 PolarHBondContact OH-O 3.47Å; Y8-W48 AromaticContact CE2-CD1 3.62Å
9S97Very high91.7Very high64 Ų64106.9 Ų106.945%0.44852%0.517SS..  trans-66.5161168-172.60000110.7D11 Q12 L13S9-D11 PolarHBondContact O-N 3.41Å; S9-Q12 WeakPolarHBondContact O-CB 3.43Å; S9-Q12 PolarHBondContact O-N 3.37Å; S9-L13 WeakPolarHBondContact O-CG 3.35Å; S9-L13 PolarHBondContact O-N 2.95Å; S9-L13 VanDerWaalsContact O-N 3.08Å
10T96.6Very high92Very high91 Ų91101.6 Ų101.656%0.55849%0.491SS*.Hα-helixtrans-55.6-50.5175.6-54.20000111.1Q12 L13 E14T10-Q12 PolarHBondContact O-N 2.99Å; T10-L13 WeakPolarHBondContact O-CA 3.41Å; T10-L13 WeakPolarHBondContact O-CB 3.48Å; T10-L13 PolarHBondContact O-N 3.24Å; T10-E14 PolarHBondContact O-N 3.47Å
11D97.1Very high92.3Very high116 Ų116102.4 Ų102.462%0.6249%0.494SS*.Hα-helixtrans-58.5-37.4-179.9-54.7-14.6000112.5S9 E14 H15S9-D11 PolarHBondContact O-N 3.41Å; D11-E14 PolarHBondContact O-N 3.41Å; D11-H15 WeakPolarHBondContact O-CB 3.42Å; D11-H15 PolarHBondContact O-N 2.99Å
12Q97.1Very high93.6Very high55 Ų5595.6 Ų95.626%0.25748%0.475SS..Hα-helixtrans-66.8-39.5176.7-68.3177.2-34.700111.4S9 T10 L16 V38S9-Q12 WeakPolarHBondContact O-CB 3.43Å; S9-Q12 PolarHBondContact O-N 3.37Å; T10-Q12 PolarHBondContact O-N 2.99Å; Q12-L16 WeakPolarHBondContact O-CB 3.48Å; Q12-L16 WeakPolarHBondContact O-CD1 3.41Å; Q12-L16 WeakPolarHBondContact O-CG 3.18Å; Q12-L16 PolarHBondContact O-N 3.44Å; Q12-V38 HydrophobicContact CB-CG1 3.99Å; Q12-V38 HydrophobicContact CG-CG1 3.96Å; Q12-V38 PolarHBondContact NE2-O 2.92Å
13L97.7Very high94.4Very high71 Ų7187.7 Ų87.737%0.37244%0.443SS..Hα-helixtrans-68.2-39.9177-68.4173.4000111.6Y8 S9 T10 L16 E17Y8-L13 HydrophobicContact CD2-CD2 4.13Å; Y8-L13 HydrophobicContact CG-CD2 4.12Å; S9-L13 WeakPolarHBondContact O-CG 3.35Å; S9-L13 PolarHBondContact O-N 2.95Å; S9-L13 VanDerWaalsContact O-N 3.08Å; T10-L13 WeakPolarHBondContact O-CA 3.41Å; T10-L13 WeakPolarHBondContact O-CB 3.48Å; T10-L13 PolarHBondContact O-N 3.24Å; L13-L16 PolarHBondContact O-N 2.93Å; L13-E17 WeakPolarHBondContact O-CB 3.48Å; L13-E17 PolarHBondContact O-N 3.22Å
14E97.7Very high95.4Very high126 Ų12681.1 Ų81.159%0.58942%0.415SS*.Hα-helixtrans-62.5-46.6175.7-70.7-177.4174.800111.4T10 D11 L16 E17 A18T10-E14 PolarHBondContact O-N 3.47Å; D11-E14 PolarHBondContact O-N 3.41Å; E14-L16 VanDerWaalsContact C-N 3.35Å; E14-L16 PolarHBondContact O-N 3.26Å; E14-E17 PolarHBondContact O-N 3.46Å; E14-A18 PolarHBondContact O-N 3.37Å
15H97.3Very high96.1Very high84 Ų8482.4 Ų82.439%0.38941%0.406SS..Hα-helixtrans-59.9-44.6175.7-173.175.7000112.1D11 E17 A18 L19 S37D11-H15 WeakPolarHBondContact O-CB 3.42Å; D11-H15 PolarHBondContact O-N 2.99Å; H15-E17 VanDerWaalsContact C-N 3.31Å; H15-E17 PolarHBondContact O-N 3.2Å; H15-A18 PolarHBondContact O-N 2.9Å; H15-L19 WeakPolarHBondContact O-CG 3.41Å; H15-L19 PolarHBondContact O-N 3.11Å; H15-L19 VanDerWaalsContact O-N 3.13Å; H15-S37 PolarHBondContact NE2-OG 3.22Å
16L97.9Very high96.5Very high0 Ų072.4 Ų72.40%037%0.369CS..Hα-helixtrans-65-35.3176.5-72.8170000112.5Y8 Q12 L13 E14 F20 I34 V38 I45 W48 F49Y8-L16 HydrophobicContact CD1-CD1 4.42Å; Y8-L16 HydrophobicContact CE1-CD1 4.41Å; Q12-L16 WeakPolarHBondContact O-CB 3.48Å; Q12-L16 WeakPolarHBondContact O-CD1 3.41Å; Q12-L16 WeakPolarHBondContact O-CG 3.18Å; Q12-L16 PolarHBondContact O-N 3.44Å; L13-L16 PolarHBondContact O-N 2.93Å; E14-L16 VanDerWaalsContact C-N 3.35Å; E14-L16 PolarHBondContact O-N 3.26Å; L16-F20 WeakPolarHBondContact O-CB 3.45Å; L16-F20 PolarHBondContact O-N 3.44Å; L16-I34 HydrophobicContact CD2-CG2 3.63Å; L16-V38 HydrophobicContact CD2-CG2 4.07Å; L16-V38 HydrophobicContact CG-CG2 4.19Å; L16-I45 HydrophobicContact CD2-CD1 3.77Å; L16-W48 HydrophobicContact CB-CD2 4.27Å; L16-W48 HydrophobicContact CB-CE3 4.22Å; L16-W48 HydrophobicContact CB-CH2 3.56Å; L16-W48 HydrophobicContact CB-CZ2 3.58Å; L16-W48 HydrophobicContact CB-CZ3 3.88Å; L16-W48 HydrophobicContact CD1-CD2 3.99Å; L16-W48 HydrophobicContact CD1-CG 4.16Å; L16-W48 HydrophobicContact CD1-CZ2 4.34Å; L16-F49 HydrophobicContact CD2-CE2 4.14Å
17E98.1Very high97Very high45 Ų4575.2 Ų75.221%0.2138%0.382CS..Hα-helixtrans-69.3-41.1176.3-169.263.7-141.600111.6L13 E14 H15 L19 F20 Q21 R52L13-E17 WeakPolarHBondContact O-CB 3.48Å; L13-E17 PolarHBondContact O-N 3.22Å; E14-E17 PolarHBondContact O-N 3.46Å; H15-E17 VanDerWaalsContact C-N 3.31Å; H15-E17 PolarHBondContact O-N 3.2Å; E17-L19 PolarHBondContact O-N 3.25Å; E17-F20 WeakPolarHBondContact O-CB 3.22Å; E17-F20 PolarHBondContact O-N 2.98Å; E17-F20 VanDerWaalsContact O-N 3.13Å; E17-Q21 WeakPolarHBondContact O-CG 3.26Å; E17-Q21 PolarHBondContact O-N 3.48Å; E17-Q21 VanDerWaalsContact O-N 3.1Å; E17-Q21 PolarHBondContact OE1-NE2 3.02Å; E17-R52 VanDerWaalsContact CD-CZ 3.45Å; E17-R52 IonicContact OE1-CZ 2.96Å; E17-R52 IonicContact OE1-NE 3.58Å; E17-R52 PolarHBondContact OE1-NE 2.97Å; E17-R52 VanDerWaalsContact OE1-NE 3.13Å; E17-R52 IonicContact OE1-NH2 3.13Å; E17-R52 PolarHBondContact OE1-NH2 3.14Å; E17-R52 WeakPolarHBondContact OE2-CD 3.06Å; E17-R52 IonicContact OE2-CZ 2.79Å; E17-R52 IonicContact OE2-NE 3.43Å; E17-R52 PolarHBondContact OE2-NE 3.39Å; E17-R52 IonicContact OE2-NH1 3.22Å; E17-R52 IonicContact OE2-NH2 3.02Å; E17-R52 PolarHBondContact OE2-NH2 3.31Å
18A97.6Very high97.3Very high56 Ų5670 Ų7046%0.46336%0.361SS..Hα-helixtrans-57.5-50.2174.800000111E14 H15 F20 Q21 E22E14-A18 PolarHBondContact O-N 3.37Å; H15-A18 PolarHBondContact O-N 2.9Å; A18-F20 VanDerWaalsContact C-N 3.26Å; A18-F20 PolarHBondContact O-N 3.45Å; A18-Q21 PolarHBondContact O-N 3.13Å; A18-Q21 VanDerWaalsContact O-N 3.14Å; A18-E22 PolarHBondContact O-N 3.18Å
19L97.2Very high97.4Very high35 Ų3572.8 Ų72.818%0.18338%0.376CS..Hα-helixtrans-62.1-33.1175.8-68.9167.7000112.8H15 E17 Q21 E22 D23 I34 F49H15-L19 WeakPolarHBondContact O-CG 3.41Å; H15-L19 PolarHBondContact O-N 3.11Å; H15-L19 VanDerWaalsContact O-N 3.13Å; E17-L19 PolarHBondContact O-N 3.25Å; L19-Q21 VanDerWaalsContact C-N 3.32Å; L19-E22 PolarHBondContact O-N 3.39Å; L19-D23 PolarHBondContact O-N 2.85Å; L19-I34 HydrophobicContact CD1-CB 4.33Å; L19-I34 HydrophobicContact CD1-CD1 4.05Å; L19-I34 HydrophobicContact CD1-CG1 3.75Å; L19-I34 HydrophobicContact CD1-CG2 3.72Å; L19-F49 HydrophobicContact CB-CZ 4.47Å
20F97.8Very high97.4Very high0 Ų074.8 Ų74.80%038%0.376CS..Hα-helixtrans-65.9-35.4177-175.6-99.9000112.1L16 E17 A18 E22 D23 H24 W48 F49 R52 R53 W56L16-F20 WeakPolarHBondContact O-CB 3.45Å; L16-F20 PolarHBondContact O-N 3.44Å; E17-F20 WeakPolarHBondContact O-CB 3.22Å; E17-F20 PolarHBondContact O-N 2.98Å; E17-F20 VanDerWaalsContact O-N 3.13Å; A18-F20 VanDerWaalsContact C-N 3.26Å; A18-F20 PolarHBondContact O-N 3.45Å; F20-E22 VanDerWaalsContact C-N 3.29Å; F20-D23 CarbonylContact O-C 3.49Å; F20-H24 AromaticContact CD1-CD2 3.52Å; F20-H24 AromaticContact CD1-NE2 3.87Å; F20-H24 AromaticContact CD2-CD2 3.88Å; F20-H24 AromaticContact CE1-CD2 3.18Å; F20-H24 WeakPolarHBondContact CE1-CD2 3.34Å; F20-H24 AromaticContact CE1-NE2 3.51Å; F20-H24 HydrophobicContact CE2-CB 4.22Å; F20-H24 AromaticContact CE2-CD2 3.57Å; F20-H24 AromaticContact CG-CD2 3.86Å; F20-H24 HydrophobicContact CZ-CB 4.45Å; F20-H24 AromaticContact CZ-CD2 3.21Å; F20-H24 WeakPolarHBondContact CZ-CD2 3.47Å; F20-H24 AromaticContact CZ-NE2 3.95Å; F20-H24 PolarHBondContact O-CD2 3.29Å; F20-H24 PolarHBondContact O-NE2 2.91Å; F20-W48 HydrophobicContact CB-CH2 4.37Å; F20-W48 HydrophobicContact CB-CZ3 4.22Å; F20-W48 HydrophobicContact CD2-CZ3 4.33Å; F20-F49 HydrophobicContact CB-CE1 4.25Å; F20-F49 AromaticContact CD2-CD1 3.73Å; F20-F49 HydrophobicContact CD2-CD1 3.73Å; F20-F49 AromaticContact CD2-CE1 3.79Å; F20-F49 HydrophobicContact CD2-CE1 3.79Å; F20-F49 HydrophobicContact CE2-CD1 4.32Å; F20-R52 HydrophobicContact CD1-CG 3.76Å; F20-R52 HydrophobicContact CD2-CB 4.17Å; F20-R52 HydrophobicContact CD2-CG 3.54Å; F20-R52 HydrophobicContact CE1-CG 3.68Å; F20-R52 HydrophobicContact CE2-CB 3.93Å; F20-R52 HydrophobicContact CE2-CG 3.47Å; F20-R52 VanDerWaalsContact CE2-CG 3.47Å; F20-R52 HydrophobicContact CG-CG 3.7Å; F20-R52 HydrophobicContact CZ-CB 4.3Å; F20-R52 HydrophobicContact CZ-CG 3.54Å; F20-R53 HydrophobicContact CE2-CG 3.67Å; F20-R53 HydrophobicContact CZ-CG 3.96Å; F20-W56 HydrophobicContact CE1-CB 4.42Å; F20-W56 HydrophobicContact CE1-CG 4.42Å; F20-W56 HydrophobicContact CZ-CB 4.3Å; F20-W56 HydrophobicContact CZ-CG 4.49Å
21Q97.3Very high97.5Very high118 Ų11873.6 Ų73.655%0.55136%0.362SS*.Hα-helixtrans-68-31.6175.5-60.6-57.5-18.100112.3E17 A18 L19E17-Q21 WeakPolarHBondContact O-CG 3.26Å; E17-Q21 PolarHBondContact O-N 3.48Å; E17-Q21 VanDerWaalsContact O-N 3.1Å; E17-Q21 PolarHBondContact OE1-NE2 3.02Å; A18-Q21 PolarHBondContact O-N 3.13Å; A18-Q21 VanDerWaalsContact O-N 3.14Å; L19-Q21 VanDerWaalsContact C-N 3.32Å
22E96.8Very high97.5Very high158 Ų15873.1 Ų73.174%0.73835%0.354SS*.Hα-helixtrans-73.6-47.4175-62.8-175.5171.400112A18 L19 F20A18-E22 PolarHBondContact O-N 3.18Å; L19-E22 PolarHBondContact O-N 3.39Å; F20-E22 VanDerWaalsContact C-N 3.29Å
23D96.8Very high97.6Very high41 Ų4175.3 Ų75.322%0.21937%0.371CS..  trans-147.8107.7-173.9-175.6-4.1000111.8L19 F20 Y25 K30 F49L19-D23 PolarHBondContact O-N 2.85Å; F20-D23 CarbonylContact O-C 3.49Å; D23-Y25 VanDerWaalsContact C-N 3.26Å; D23-Y25 PolarHBondContact O-N 2.99Å; D23-Y25 WeakPolarHBondContact OD1-CA 3.48Å; D23-Y25 PolarHBondContact OD1-N 2.98Å; D23-K30 IonicContact OD2-NZ 3.54Å; D23-K30 PolarHBondContact OD2-NZ 3.31Å; D23-F49 WeakPolarHBondContact O-CE1 3.39Å
24H97.1Very high97.6Very high48 Ų4872.6 Ų72.622%0.22236%0.357CS..SBendtrans-71.4-18178.2-61.7125.8000113.9F20 R53 W56F20-H24 AromaticContact CD1-CD2 3.52Å; F20-H24 AromaticContact CD1-NE2 3.87Å; F20-H24 AromaticContact CD2-CD2 3.88Å; F20-H24 AromaticContact CE1-CD2 3.18Å; F20-H24 WeakPolarHBondContact CE1-CD2 3.34Å; F20-H24 AromaticContact CE1-NE2 3.51Å; F20-H24 HydrophobicContact CE2-CB 4.22Å; F20-H24 AromaticContact CE2-CD2 3.57Å; F20-H24 AromaticContact CG-CD2 3.86Å; F20-H24 HydrophobicContact CZ-CB 4.45Å; F20-H24 AromaticContact CZ-CD2 3.21Å; F20-H24 WeakPolarHBondContact CZ-CD2 3.47Å; F20-H24 AromaticContact CZ-NE2 3.95Å; F20-H24 PolarHBondContact O-CD2 3.29Å; F20-H24 PolarHBondContact O-NE2 2.91Å; H24-R53 WeakPolarHBondContact O-CD 3.32Å; H24-R53 PolarHBondContact O-NH1 2.95Å; H24-W56 AromaticContact NE2-NE1 3.97Å
25Y97.9Very high97.5Very high157 Ų15766.7 Ų66.762%0.61633%0.33SS*.SBendtrans-13266.2-173.8-68.2-92.1000111.5D23 D27 R53D23-Y25 VanDerWaalsContact C-N 3.26Å; D23-Y25 PolarHBondContact O-N 2.99Å; D23-Y25 WeakPolarHBondContact OD1-CA 3.48Å; D23-Y25 PolarHBondContact OD1-N 2.98Å; Y25-D27 PolarHBondContact O-N 2.85Å; Y25-R53 VanDerWaalsContact CE1-CD 3.49Å; Y25-R53 VanDerWaalsContact CE1-NE 3.28Å
26P96.8Very high97.6Very high6 Ų666.6 Ų66.64%0.03934%0.344CS..  trans-64.2132.9-179.126.9-35.6000111.5K30 R31 I34 F49P26-K30 HydrophobicContact CB-CB 4.1Å; P26-R31 HydrophobicContact CB-CG 4.06Å; P26-R31 HydrophobicContact CG-CG 3.96Å; P26-R31 PolarHBondContact O-NH1 3.48Å; P26-I34 HydrophobicContact CB-CD1 4.25Å; P26-F49 VanDerWaalsContact CD-CD1 3.41Å; P26-F49 HydrophobicContact CG-CD1 3.62Å; P26-F49 HydrophobicContact CG-CD2 4.18Å; P26-F49 HydrophobicContact CG-CE1 3.63Å; P26-F49 HydrophobicContact CG-CE2 4.2Å; P26-F49 HydrophobicContact CG-CG 3.91Å; P26-F49 HydrophobicContact CG-CZ 3.94Å
27D97.8Very high97.5Very high108 Ų10870 Ų7058%0.57837%0.368SS*.  trans-65.7167.4175.5-173.836000112.6Y25 E29 K30 R31Y25-D27 PolarHBondContact O-N 2.85Å; D27-E29 VanDerWaalsContact C-N 3.34Å; D27-E29 PolarHBondContact O-N 2.97Å; D27-K30 PolarHBondContact O-N 3.35Å; D27-R31 WeakPolarHBondContact O-CG 3.39Å; D27-R31 PolarHBondContact O-N 2.93Å
28A97.5Very high97.4Very high39 Ų3968.4 Ų68.432%0.32236%0.361SS..Hα-helixtrans-52.5-45.9-178.800000113.1R31 K32A28-R31 PolarHBondContact O-N 3.23Å; A28-K32 WeakPolarHBondContact O-CG 3.47Å; A28-K32 PolarHBondContact O-N 2.88Å
29E97.8Very high97.3Very high110 Ų11068.9 Ų68.951%0.51437%0.371SS..Hα-helixtrans-68.8-46.4179-67.8-51.6122.100111.8D27 R31 K32 T33D27-E29 VanDerWaalsContact C-N 3.34Å; D27-E29 PolarHBondContact O-N 2.97Å; E29-R31 VanDerWaalsContact C-N 3.26Å; E29-R31 PolarHBondContact O-N 3.26Å; E29-K32 WeakPolarHBondContact O-CA 3.45Å; E29-K32 WeakPolarHBondContact O-CB 3.47Å; E29-K32 PolarHBondContact O-N 3.29Å; E29-K32 WeakPolarHBondContact OE1-CE 3.48Å; E29-K32 IonicContact OE1-NZ 3.16Å; E29-K32 PolarHBondContact OE1-NZ 2.93Å; E29-K32 IonicContact OE2-NZ 2.64Å; E29-T33 PolarHBondContact O-N 3.34Å; E29-T33 VanDerWaalsContact O-N 3.11Å; E29-T33 PolarHBondContact O-OG1 3.39Å
30K97.3Very high97.2Very high107 Ų10768.7 Ų68.747%0.46537%0.371SS..Hα-helixtrans-55-43174.6-114174.1170-177.50111.5D23 P26 D27 K32 T33 I34D23-K30 IonicContact OD2-NZ 3.54Å; D23-K30 PolarHBondContact OD2-NZ 3.31Å; P26-K30 HydrophobicContact CB-CB 4.1Å; D27-K30 PolarHBondContact O-N 3.35Å; K30-K32 VanDerWaalsContact C-N 3.28Å; K30-K32 PolarHBondContact O-N 2.94Å; K30-T33 PolarHBondContact O-N 2.67Å; K30-I34 VanDerWaalsContact O-CG1 3.22Å; K30-I34 WeakPolarHBondContact O-CG1 3.35Å; K30-I34 PolarHBondContact O-N 3.08Å
31R98.3Very high97.2Very high65 Ų6572.5 Ų72.525%0.24540%0.395CS..Hα-helixtrans-61.7-33.7175.9-73-167-58.4-103.56112.9P26 D27 A28 E29 A35 I45P26-R31 HydrophobicContact CB-CG 4.06Å; P26-R31 HydrophobicContact CG-CG 3.96Å; P26-R31 PolarHBondContact O-NH1 3.48Å; D27-R31 WeakPolarHBondContact O-CG 3.39Å; D27-R31 PolarHBondContact O-N 2.93Å; A28-R31 PolarHBondContact O-N 3.23Å; E29-R31 VanDerWaalsContact C-N 3.26Å; E29-R31 PolarHBondContact O-N 3.26Å; R31-A35 WeakPolarHBondContact O-CB 3.38Å; R31-A35 PolarHBondContact O-N 3.46Å; R31-I45 HydrophobicContact CB-CG2 4.32Å; R31-I45 HydrophobicContact CG-CG2 4.05Å
32K98.2Very high97.2Very high106 Ų10669.5 Ų69.546%0.46139%0.386SS..Hα-helixtrans-67.1-43.3175-67.4171.9-176.2170.70111A28 E29 K30 A35 A36 P42A28-K32 WeakPolarHBondContact O-CG 3.47Å; A28-K32 PolarHBondContact O-N 2.88Å; E29-K32 WeakPolarHBondContact O-CA 3.45Å; E29-K32 WeakPolarHBondContact O-CB 3.47Å; E29-K32 PolarHBondContact O-N 3.29Å; E29-K32 WeakPolarHBondContact OE1-CE 3.48Å; E29-K32 IonicContact OE1-NZ 3.16Å; E29-K32 PolarHBondContact OE1-NZ 2.93Å; E29-K32 IonicContact OE2-NZ 2.64Å; K30-K32 VanDerWaalsContact C-N 3.28Å; K30-K32 PolarHBondContact O-N 2.94Å; K32-A35 WeakPolarHBondContact O-CB 3.21Å; K32-A35 PolarHBondContact O-N 2.64Å; K32-A36 PolarHBondContact O-N 3.1Å; K32-P42 HydrophobicContact CG-CG 4.14Å
33T98Very high97.2Very high101 Ų10166.7 Ų66.762%0.6237%0.373SS*.Hα-helixtrans-62.3-46.3177.1-51.40000111.8E29 K30 A35 A36 S37E29-T33 PolarHBondContact O-N 3.34Å; E29-T33 VanDerWaalsContact O-N 3.11Å; E29-T33 PolarHBondContact O-OG1 3.39Å; K30-T33 PolarHBondContact O-N 2.67Å; T33-A35 VanDerWaalsContact C-N 3.32Å; T33-A35 PolarHBondContact O-N 3.36Å; T33-A36 PolarHBondContact O-N 3.25Å; T33-S37 PolarHBondContact O-N 3.49Å
34I97.6Very high97.2Very high14 Ų1467.6 Ų67.67%0.07237%0.373CS..Hα-helixtrans-64.7-39.2177.2-60.1166.3000111L16 L19 P26 K30 A36 S37 V38 I45 F49L16-I34 HydrophobicContact CD2-CG2 3.63Å; L19-I34 HydrophobicContact CD1-CB 4.33Å; L19-I34 HydrophobicContact CD1-CD1 4.05Å; L19-I34 HydrophobicContact CD1-CG1 3.75Å; L19-I34 HydrophobicContact CD1-CG2 3.72Å; P26-I34 HydrophobicContact CB-CD1 4.25Å; K30-I34 VanDerWaalsContact O-CG1 3.22Å; K30-I34 WeakPolarHBondContact O-CG1 3.35Å; K30-I34 PolarHBondContact O-N 3.08Å; I34-A36 VanDerWaalsContact C-N 3.32Å; I34-A36 PolarHBondContact O-N 3.19Å; I34-S37 PolarHBondContact O-N 2.79Å; I34-S37 PolarHBondContact O-OG 2.87Å; I34-V38 HydrophobicContact CG2-CG2 4.29Å; I34-V38 WeakPolarHBondContact O-CB 3.34Å; I34-V38 WeakPolarHBondContact O-CG2 3.34Å; I34-V38 PolarHBondContact O-N 3.35Å; I34-I45 HydrophobicContact CB-CG2 4.42Å; I34-I45 HydrophobicContact CG2-CD1 3.98Å; I34-I45 HydrophobicContact CG2-CG1 4.3Å; I34-I45 HydrophobicContact CG2-CG2 4.14Å; I34-F49 HydrophobicContact CD1-CZ 4.41Å
35A97.6Very high97.3Very high3 Ų365.3 Ų65.33%0.02536%0.362CS..Hα-helixtrans-62-41.8176.400000111.7R31 K32 T33 G39 V40 P42 I45R31-A35 WeakPolarHBondContact O-CB 3.38Å; R31-A35 PolarHBondContact O-N 3.46Å; K32-A35 WeakPolarHBondContact O-CB 3.21Å; K32-A35 PolarHBondContact O-N 2.64Å; T33-A35 VanDerWaalsContact C-N 3.32Å; T33-A35 PolarHBondContact O-N 3.36Å; A35-G39 WeakPolarHBondContact O-CA 3.39Å; A35-G39 PolarHBondContact O-N 2.97Å; A35-V40 CarbonylContact C-O 3.56Å; A35-V40 VanDerWaalsContact CB-O 3.26Å; A35-V40 WeakPolarHBondContact CB-O 3.18Å; A35-V40 PolarHBondContact O-N 3.13Å; A35-V40 VanDerWaalsContact O-O 3.09Å; A35-P42 HydrophobicContact CB-CB 4.38Å; A35-P42 HydrophobicContact CB-CG 3.95Å; A35-I45 HydrophobicContact CB-CG1 3.84Å
36A97.6Very high97.2Very high82 Ų8260.1 Ų60.168%0.67834%0.344SS*.Hα-helixtrans-65.6-42.7175.700000112.1K32 T33 I34 G39K32-A36 PolarHBondContact O-N 3.1Å; T33-A36 PolarHBondContact O-N 3.25Å; I34-A36 VanDerWaalsContact C-N 3.32Å; I34-A36 PolarHBondContact O-N 3.19Å; A36-G39 PolarHBondContact O-N 3.13Å
37S96.6Very high97.3Very high72 Ų7262 Ų6250%0.50336%0.355SS..Hα-helixtrans-66.6-39.717969.40000112.8H15 T33 I34H15-S37 PolarHBondContact NE2-OG 3.22Å; T33-S37 PolarHBondContact O-N 3.49Å; I34-S37 PolarHBondContact O-N 2.79Å; I34-S37 PolarHBondContact O-OG 2.87Å
38V95.4Very high97.3Very high11 Ų1158.2 Ų58.27%0.06733%0.333CS..Hα-helixtrans-82.9-18.8-179.11780000112.3Y8 Q12 L16 I34 V40Y8-V38 HydrophobicContact CD1-CG1 4.49Å; Q12-V38 HydrophobicContact CB-CG1 3.99Å; Q12-V38 HydrophobicContact CG-CG1 3.96Å; Q12-V38 PolarHBondContact NE2-O 2.92Å; L16-V38 HydrophobicContact CD2-CG2 4.07Å; L16-V38 HydrophobicContact CG-CG2 4.19Å; I34-V38 HydrophobicContact CG2-CG2 4.29Å; I34-V38 WeakPolarHBondContact O-CB 3.34Å; I34-V38 WeakPolarHBondContact O-CG2 3.34Å; I34-V38 PolarHBondContact O-N 3.35Å; V38-V40 HydrophobicContact CB-CG2 4.2Å; V38-V40 HydrophobicContact CG1-CG1 4.23Å; V38-V40 HydrophobicContact CG1-CG2 3.97Å
39G95.9Very high97.3Very high66 Ų6656.5 Ų56.568%0.6832%0.318SS*.THydrogen-bonded Turntrans78.534.4-178.200000113.7A35 A36A35-G39 WeakPolarHBondContact O-CA 3.39Å; A35-G39 PolarHBondContact O-N 2.97Å; A36-G39 PolarHBondContact O-N 3.13Å
40V95.8Very high97.3Very high30 Ų3055.3 Ų55.318%0.18231%0.313CS..SBendtrans-129.6173.3178.9-630000111.1T6 Y8 A35 V38 R44 I45T6-V40 HydrophobicContact CG2-CG1 4.35Å; Y8-V40 HydrophobicContact CD1-CG1 4.45Å; Y8-V40 HydrophobicContact CE1-CG1 3.94Å; Y8-V40 HydrophobicContact CE1-CG2 4.33Å; A35-V40 CarbonylContact C-O 3.56Å; A35-V40 VanDerWaalsContact CB-O 3.26Å; A35-V40 WeakPolarHBondContact CB-O 3.18Å; A35-V40 PolarHBondContact O-N 3.13Å; A35-V40 VanDerWaalsContact O-O 3.09Å; V38-V40 HydrophobicContact CB-CG2 4.2Å; V38-V40 HydrophobicContact CG1-CG1 4.23Å; V38-V40 HydrophobicContact CG1-CG2 3.97Å; V40-R44 HydrophobicContact CB-CB 4.15Å; V40-R44 HydrophobicContact CB-CG 4.41Å; V40-R44 HydrophobicContact CG2-CB 4.17Å; V40-I45 HydrophobicContact CG2-CD1 3.4Å; V40-I45 VanDerWaalsContact CG2-CD1 3.4Å; V40-I45 HydrophobicContact CG2-CG1 3.89Å
41T97.2Very high97.3Very high81 Ų8155.2 Ų55.250%0.49732%0.317SS..  trans-80.1152177.768.10000111.9Q43 R44 I45T41-Q43 PolarHBondContact O-N 3.44Å; T41-Q43 VanDerWaalsContact O-N 3.08Å; T41-R44 WeakPolarHBondContact O-CA 3.46Å; T41-R44 VanDerWaalsContact O-CB 3.31Å; T41-R44 WeakPolarHBondContact O-CB 3.46Å; T41-R44 PolarHBondContact O-N 2.85Å; T41-R44 WeakPolarHBondContact OG1-CG 3.48Å; T41-I45 PolarHBondContact O-N 3.34Å
42P97.4Very high97.3Very high55 Ų5554.8 Ų54.836%0.35732%0.316SS..Hα-helixtrans-55.7-30.8176.8-26.234.2000113.4K32 A35 R44 I45 M46K32-P42 HydrophobicContact CG-CG 4.14Å; A35-P42 HydrophobicContact CB-CB 4.38Å; A35-P42 HydrophobicContact CB-CG 3.95Å; P42-R44 VanDerWaalsContact C-N 3.32Å; P42-R44 PolarHBondContact O-N 3.36Å; P42-I45 PolarHBondContact O-N 3.35Å; P42-M46 PolarHBondContact O-N 3.45Å
43Q96.9Very high97.3Very high99 Ų9951.7 Ų51.746%0.46330%0.301SS..Hα-helixtrans-63.8-35.6174.3-173.467.13.400112.4T41 M46 V47T41-Q43 PolarHBondContact O-N 3.44Å; T41-Q43 VanDerWaalsContact O-N 3.08Å; Q43-M46 VanDerWaalsContact CD-CE 3.45Å; Q43-M46 VanDerWaalsContact OE1-CE 3.24Å; Q43-V47 WeakPolarHBondContact O-CG2 3.35Å; Q43-V47 PolarHBondContact O-N 2.84Å; Q43-V47 VanDerWaalsContact O-N 3.12Å
44R96.9Very high97.2Very high60 Ų6048.9 Ų48.923%0.22629%0.288CS..Hα-helixtrans-67.7-43.5176.4-65.6-56.786.6175.93.2110.9T6 Y8 V40 T41 P42 V47 W48T6-R44 WeakPolarHBondContact OG1-CD 3.37Å; Y8-R44 WeakPolarHBondContact OH-CB 3.31Å; Y8-R44 PolarHBondContact OH-O 3.47Å; V40-R44 HydrophobicContact CB-CB 4.15Å; V40-R44 HydrophobicContact CB-CG 4.41Å; V40-R44 HydrophobicContact CG2-CB 4.17Å; T41-R44 WeakPolarHBondContact O-CA 3.46Å; T41-R44 VanDerWaalsContact O-CB 3.31Å; T41-R44 WeakPolarHBondContact O-CB 3.46Å; T41-R44 PolarHBondContact O-N 2.85Å; T41-R44 WeakPolarHBondContact OG1-CG 3.48Å; P42-R44 VanDerWaalsContact C-N 3.32Å; P42-R44 PolarHBondContact O-N 3.36Å; R44-V47 PolarHBondContact O-N 2.92Å; R44-W48 WeakPolarHBondContact O-CB 3.46Å; R44-W48 PolarHBondContact O-N 2.93Å
45I97.9Very high97.1Very high0 Ų054.6 Ų54.60%031%0.313CS..Hα-helixtrans-59-48.4173.8-58.9-52.7000110.6L16 R31 I34 A35 V40 T41 P42 V47 W48 F49L16-I45 HydrophobicContact CD2-CD1 3.77Å; R31-I45 HydrophobicContact CB-CG2 4.32Å; R31-I45 HydrophobicContact CG-CG2 4.05Å; I34-I45 HydrophobicContact CB-CG2 4.42Å; I34-I45 HydrophobicContact CG2-CD1 3.98Å; I34-I45 HydrophobicContact CG2-CG1 4.3Å; I34-I45 HydrophobicContact CG2-CG2 4.14Å; A35-I45 HydrophobicContact CB-CG1 3.84Å; V40-I45 HydrophobicContact CG2-CD1 3.4Å; V40-I45 VanDerWaalsContact CG2-CD1 3.4Å; V40-I45 HydrophobicContact CG2-CG1 3.89Å; T41-I45 PolarHBondContact O-N 3.34Å; P42-I45 PolarHBondContact O-N 3.35Å; I45-V47 VanDerWaalsContact C-N 3.34Å; I45-V47 PolarHBondContact O-N 3.32Å; I45-W48 PolarHBondContact O-N 3.43Å; I45-W48 VanDerWaalsContact O-N 3.15Å; I45-F49 HydrophobicContact CG2-CD2 3.64Å; I45-F49 HydrophobicContact CG2-CE2 3.7Å; I45-F49 WeakPolarHBondContact O-CD2 3.13Å; I45-F49 PolarHBondContact O-N 3.46Å
46M97.5Very high97Very high47 Ų4758 Ų5823%0.23233%0.325CS..Hα-helixtrans-55.1-48.9177.8-175-168.872.400112.2P42 Q43 F49 Q50P42-M46 PolarHBondContact O-N 3.45Å; Q43-M46 VanDerWaalsContact CD-CE 3.45Å; Q43-M46 VanDerWaalsContact OE1-CE 3.24Å; M46-F49 PolarHBondContact O-N 2.9Å; M46-Q50 VanDerWaalsContact O-CG 3.31Å; M46-Q50 WeakPolarHBondContact O-CG 3.47Å; M46-Q50 PolarHBondContact O-N 3.21Å
47V97.4Very high96.9Very high45 Ų4561 Ų6127%0.27332%0.319SS..Hα-helixtrans-65.8-39.8179172.80000111.2Q43 R44 I45 Q50 N51Q43-V47 WeakPolarHBondContact O-CG2 3.35Å; Q43-V47 PolarHBondContact O-N 2.84Å; Q43-V47 VanDerWaalsContact O-N 3.12Å; R44-V47 PolarHBondContact O-N 2.92Å; I45-V47 VanDerWaalsContact C-N 3.34Å; I45-V47 PolarHBondContact O-N 3.32Å; V47-Q50 PolarHBondContact O-N 3.08Å; V47-N51 PolarHBondContact O-N 3.37Å; V47-N51 PolarHBondContact O-ND2 2.9Å
48W97.5Very high96.6Very high29 Ų2963.9 Ų63.911%0.1132%0.322CS..Hα-helixtrans-60.4-49.2176.9-172.5100.4000111.2Y8 L16 F20 R44 I45 Q50 N51 R52Y8-W48 AromaticContact CE2-CD1 3.62Å; L16-W48 HydrophobicContact CB-CD2 4.27Å; L16-W48 HydrophobicContact CB-CE3 4.22Å; L16-W48 HydrophobicContact CB-CH2 3.56Å; L16-W48 HydrophobicContact CB-CZ2 3.58Å; L16-W48 HydrophobicContact CB-CZ3 3.88Å; L16-W48 HydrophobicContact CD1-CD2 3.99Å; L16-W48 HydrophobicContact CD1-CG 4.16Å; L16-W48 HydrophobicContact CD1-CZ2 4.34Å; F20-W48 HydrophobicContact CB-CH2 4.37Å; F20-W48 HydrophobicContact CB-CZ3 4.22Å; F20-W48 HydrophobicContact CD2-CZ3 4.33Å; R44-W48 WeakPolarHBondContact O-CB 3.46Å; R44-W48 PolarHBondContact O-N 2.93Å; I45-W48 PolarHBondContact O-N 3.43Å; I45-W48 VanDerWaalsContact O-N 3.15Å; W48-Q50 VanDerWaalsContact C-N 3.34Å; W48-Q50 PolarHBondContact O-N 3.43Å; W48-N51 PolarHBondContact O-N 2.83Å; W48-R52 HydrophobicContact CE3-CB 4.08Å; W48-R52 HydrophobicContact CH2-CB 4.16Å; W48-R52 HydrophobicContact CH2-CG 3.85Å; W48-R52 HydrophobicContact CZ3-CB 3.86Å; W48-R52 HydrophobicContact CZ3-CG 3.87Å; W48-R52 WeakPolarHBondContact O-CB 3.31Å; W48-R52 PolarHBondContact O-N 3.4Å
49F98.4Very high96.3Very high3 Ų367.2 Ų67.21%0.01334%0.342CS..Hα-helixtrans-63.7-37.2178.4-88.1-99.4000112.3L16 L19 F20 D23 P26 I34 I45 M46 R52 R53L16-F49 HydrophobicContact CD2-CE2 4.14Å; L19-F49 HydrophobicContact CB-CZ 4.47Å; F20-F49 HydrophobicContact CB-CE1 4.25Å; F20-F49 AromaticContact CD2-CD1 3.73Å; F20-F49 HydrophobicContact CD2-CD1 3.73Å; F20-F49 AromaticContact CD2-CE1 3.79Å; F20-F49 HydrophobicContact CD2-CE1 3.79Å; F20-F49 HydrophobicContact CE2-CD1 4.32Å; D23-F49 WeakPolarHBondContact O-CE1 3.39Å; P26-F49 VanDerWaalsContact CD-CD1 3.41Å; P26-F49 HydrophobicContact CG-CD1 3.62Å; P26-F49 HydrophobicContact CG-CD2 4.18Å; P26-F49 HydrophobicContact CG-CE1 3.63Å; P26-F49 HydrophobicContact CG-CE2 4.2Å; P26-F49 HydrophobicContact CG-CG 3.91Å; P26-F49 HydrophobicContact CG-CZ 3.94Å; I34-F49 HydrophobicContact CD1-CZ 4.41Å; I45-F49 HydrophobicContact CG2-CD2 3.64Å; I45-F49 HydrophobicContact CG2-CE2 3.7Å; I45-F49 WeakPolarHBondContact O-CD2 3.13Å; I45-F49 PolarHBondContact O-N 3.46Å; M46-F49 PolarHBondContact O-N 2.9Å; F49-R52 PolarHBondContact O-N 3.15Å; F49-R53 WeakPolarHBondContact O-CB 3.33Å; F49-R53 WeakPolarHBondContact O-CG 3.38Å; F49-R53 PolarHBondContact O-N 2.87Å
50Q98.1Very high95.6Very high85 Ų8570.8 Ų70.840%0.39734%0.335SS..Hα-helixtrans-61.1-48.2173.3-73.9174.720.100112.1M46 V47 W48 R52 R53 A54M46-Q50 VanDerWaalsContact O-CG 3.31Å; M46-Q50 WeakPolarHBondContact O-CG 3.47Å; M46-Q50 PolarHBondContact O-N 3.21Å; V47-Q50 PolarHBondContact O-N 3.08Å; W48-Q50 VanDerWaalsContact C-N 3.34Å; W48-Q50 PolarHBondContact O-N 3.43Å; Q50-R52 VanDerWaalsContact C-N 3.34Å; Q50-R53 PolarHBondContact O-N 3.45Å; Q50-A54 PolarHBondContact O-N 3.01Å
51N97.6Very high94.6Very high105 Ų10571.9 Ų71.956%0.56134%0.344SS*.Hα-helixtrans-64.1-41.1178-72.9-20.4000111.6V47 W48 A54 K55V47-N51 PolarHBondContact O-N 3.37Å; V47-N51 PolarHBondContact O-ND2 2.9Å; W48-N51 PolarHBondContact O-N 2.83Å; N51-A54 WeakPolarHBondContact O-CB 3.42Å; N51-A54 PolarHBondContact O-N 3.37Å; N51-K55 PolarHBondContact O-N 3.04Å
52R97.8Very high93.5Very high57 Ų5773 Ų7322%0.21535%0.346CS..Hα-helixtrans-62.2-46.8177.9-175.565.5-163.5159.30.3111.3E17 F20 W48 F49 Q50 A54 K55 W56E17-R52 VanDerWaalsContact CD-CZ 3.45Å; E17-R52 IonicContact OE1-CZ 2.96Å; E17-R52 IonicContact OE1-NE 3.58Å; E17-R52 PolarHBondContact OE1-NE 2.97Å; E17-R52 VanDerWaalsContact OE1-NE 3.13Å; E17-R52 IonicContact OE1-NH2 3.13Å; E17-R52 PolarHBondContact OE1-NH2 3.14Å; E17-R52 WeakPolarHBondContact OE2-CD 3.06Å; E17-R52 IonicContact OE2-CZ 2.79Å; E17-R52 IonicContact OE2-NE 3.43Å; E17-R52 PolarHBondContact OE2-NE 3.39Å; E17-R52 IonicContact OE2-NH1 3.22Å; E17-R52 IonicContact OE2-NH2 3.02Å; E17-R52 PolarHBondContact OE2-NH2 3.31Å; F20-R52 HydrophobicContact CD1-CG 3.76Å; F20-R52 HydrophobicContact CD2-CB 4.17Å; F20-R52 HydrophobicContact CD2-CG 3.54Å; F20-R52 HydrophobicContact CE1-CG 3.68Å; F20-R52 HydrophobicContact CE2-CB 3.93Å; F20-R52 HydrophobicContact CE2-CG 3.47Å; F20-R52 VanDerWaalsContact CE2-CG 3.47Å; F20-R52 HydrophobicContact CG-CG 3.7Å; F20-R52 HydrophobicContact CZ-CB 4.3Å; F20-R52 HydrophobicContact CZ-CG 3.54Å; W48-R52 HydrophobicContact CE3-CB 4.08Å; W48-R52 HydrophobicContact CH2-CB 4.16Å; W48-R52 HydrophobicContact CH2-CG 3.85Å; W48-R52 HydrophobicContact CZ3-CB 3.86Å; W48-R52 HydrophobicContact CZ3-CG 3.87Å; W48-R52 WeakPolarHBondContact O-CB 3.31Å; W48-R52 PolarHBondContact O-N 3.4Å; F49-R52 PolarHBondContact O-N 3.15Å; Q50-R52 VanDerWaalsContact C-N 3.34Å; R52-A54 VanDerWaalsContact C-N 3.31Å; R52-A54 PolarHBondContact O-N 3.33Å; R52-K55 PolarHBondContact O-N 3.12Å; R52-W56 PolarHBondContact O-N 3.49Å
53R97.7Very high92.3Very high41 Ų4174.2 Ų74.216%0.15535%0.352CS..Hα-helixtrans-61-37.1173.4-72.2-165.6-60.7-89.52.1113F20 H24 Y25 F49 Q50 W56 R57F20-R53 HydrophobicContact CE2-CG 3.67Å; F20-R53 HydrophobicContact CZ-CG 3.96Å; H24-R53 WeakPolarHBondContact O-CD 3.32Å; H24-R53 PolarHBondContact O-NH1 2.95Å; Y25-R53 VanDerWaalsContact CE1-CD 3.49Å; Y25-R53 VanDerWaalsContact CE1-NE 3.28Å; F49-R53 WeakPolarHBondContact O-CB 3.33Å; F49-R53 WeakPolarHBondContact O-CG 3.38Å; F49-R53 PolarHBondContact O-N 2.87Å; Q50-R53 PolarHBondContact O-N 3.45Å; R53-W56 PolarHBondContact O-N 3.46Å; R53-R57 WeakPolarHBondContact O-CG 3.48Å; R53-R57 PolarHBondContact O-N 3.41Å
54A97.1Very high90.7Very high42 Ų4272.2 Ų72.235%0.34735%0.353SS..Hα-helixtrans-62-45175.800000111.5Q50 N51 R52 R57 K58Q50-A54 PolarHBondContact O-N 3.01Å; N51-A54 WeakPolarHBondContact O-CB 3.42Å; N51-A54 PolarHBondContact O-N 3.37Å; R52-A54 VanDerWaalsContact C-N 3.31Å; R52-A54 PolarHBondContact O-N 3.33Å; A54-R57 PolarHBondContact O-N 2.95Å; A54-K58 PolarHBondContact O-N 2.79Å; A54-K58 VanDerWaalsContact O-N 3.08Å
55K95.4Very high88.9Confident134 Ų13477.4 Ų77.458%0.58338%0.377SS*.Hα-helixtrans-61.9-45.7174.9-172.4176.1177.2-178.50111.5N51 R52 R57 K58 V59N51-K55 PolarHBondContact O-N 3.04Å; R52-K55 PolarHBondContact O-N 3.12Å; K55-R57 PolarHBondContact O-N 3.04Å; K55-K58 WeakPolarHBondContact O-CB 3.41Å; K55-K58 PolarHBondContact O-N 3.36Å; K55-K58 VanDerWaalsContact O-N 3.15Å; K55-V59 WeakPolarHBondContact O-CG2 3.44Å; K55-V59 PolarHBondContact O-N 3.15Å
56W94.9Very high87.1Confident73 Ų7381.2 Ų81.228%0.27741%0.408SS..Hα-helixtrans-59.3-45.1178.9179.995.2000112.8F20 H24 R52 R53 K58 V59 R60F20-W56 HydrophobicContact CE1-CB 4.42Å; F20-W56 HydrophobicContact CE1-CG 4.42Å; F20-W56 HydrophobicContact CZ-CB 4.3Å; F20-W56 HydrophobicContact CZ-CG 4.49Å; H24-W56 AromaticContact NE2-NE1 3.97Å; R52-W56 PolarHBondContact O-N 3.49Å; R53-W56 PolarHBondContact O-N 3.46Å; W56-K58 VanDerWaalsContact C-N 3.32Å; W56-K58 PolarHBondContact O-N 3.38Å; W56-V59 PolarHBondContact O-N 3.43Å; W56-R60 VanDerWaalsContact CH2-CZ 3.46Å; W56-R60 PolarHBondContact O-N 2.98Å; W56-R60 VanDerWaalsContact O-N 3.15Å
57R95.3Very high85.2Confident147 Ų14787.3 Ų87.356%0.55544%0.437SS*.Hα-helixtrans-62.3-39.9175-74.8-175.4-73116.8-3.6111.8R53 A54 K55 R60 S61R53-R57 WeakPolarHBondContact O-CG 3.48Å; R53-R57 PolarHBondContact O-N 3.41Å; A54-R57 PolarHBondContact O-N 2.95Å; K55-R57 PolarHBondContact O-N 3.04Å; R57-R60 PolarHBondContact O-N 3.15Å; R57-S61 PolarHBondContact O-N 3.47Å
58K91.2Very high83.2Confident132 Ų13290.6 Ų90.657%0.57446%0.457SS*.Hα-helixtrans-63.7-45.3178.6-17461.4174.3178.90111.6A54 K55 W56 R60 S61 I62A54-K58 PolarHBondContact O-N 2.79Å; A54-K58 VanDerWaalsContact O-N 3.08Å; K55-K58 WeakPolarHBondContact O-CB 3.41Å; K55-K58 PolarHBondContact O-N 3.36Å; K55-K58 VanDerWaalsContact O-N 3.15Å; W56-K58 VanDerWaalsContact C-N 3.32Å; W56-K58 PolarHBondContact O-N 3.38Å; K58-R60 PolarHBondContact O-N 3.45Å; K58-S61 PolarHBondContact O-N 2.96Å; K58-S61 PolarHBondContact O-OG 3.21Å; K58-I62 HydrophobicContact CD-CD1 4.37Å; K58-I62 HydrophobicContact CG-CD1 4.14Å; K58-I62 WeakPolarHBondContact O-CD1 3.49Å; K58-I62 WeakPolarHBondContact O-CG1 3.44Å; K58-I62 PolarHBondContact O-N 3.04Å
59V87.8Confident80.9Confident80 Ų8092.6 Ų92.649%0.48548%0.479SS..Hα-helixtrans-59.4-48.51781740000110.6K55 W56 S61 I62 T63K55-V59 WeakPolarHBondContact O-CG2 3.44Å; K55-V59 PolarHBondContact O-N 3.15Å; W56-V59 PolarHBondContact O-N 3.43Å; V59-S61 VanDerWaalsContact C-N 3.32Å; V59-S61 PolarHBondContact O-N 3.08Å; V59-I62 PolarHBondContact O-N 3.38Å; V59-I62 VanDerWaalsContact O-N 3.14Å; V59-T63 PolarHBondContact O-N 3.31Å; V59-T63 VanDerWaalsContact O-N 3.15Å; V59-T63 PolarHBondContact O-OG1 3.03Å
60R81.2Confident78.4Confident141 Ų14197.4 Ų97.453%0.53251%0.511SS..Hα-helixtrans-62.8-35.1179.1-69.8-174.8174-153.6-2.3113.7W56 R57 K58 I62 T63 A64W56-R60 VanDerWaalsContact CH2-CZ 3.46Å; W56-R60 PolarHBondContact O-N 2.98Å; W56-R60 VanDerWaalsContact O-N 3.15Å; R57-R60 PolarHBondContact O-N 3.15Å; K58-R60 PolarHBondContact O-N 3.45Å; R60-I62 VanDerWaalsContact C-N 3.27Å; R60-I62 PolarHBondContact O-N 3.46Å; R60-T63 WeakPolarHBondContact CA-OG1 3.36Å; R60-T63 PolarHBondContact O-OG1 3.05Å; R60-A64 WeakPolarHBondContact O-CB 3.36Å; R60-A64 PolarHBondContact O-N 3.33Å
61S76.2Confident76.2Confident54 Ų54105.5 Ų105.538%0.37854%0.538SS..Hα-helixtrans-68.3-26.2177.471.80000113.6R57 K58 V59R57-S61 PolarHBondContact O-N 3.47Å; K58-S61 PolarHBondContact O-N 2.96Å; K58-S61 PolarHBondContact O-OG 3.21Å; V59-S61 VanDerWaalsContact C-N 3.32Å; V59-S61 PolarHBondContact O-N 3.08Å
62I74.2Confident73.9Confident103 Ų103106.6 Ų106.653%0.52855%0.548SS..Hα-helixtrans-82.3-42.3178.8-64.1162.1000109.7K58 V59 R60 K65 A66K58-I62 HydrophobicContact CD-CD1 4.37Å; K58-I62 HydrophobicContact CG-CD1 4.14Å; K58-I62 WeakPolarHBondContact O-CD1 3.49Å; K58-I62 WeakPolarHBondContact O-CG1 3.44Å; K58-I62 PolarHBondContact O-N 3.04Å; V59-I62 PolarHBondContact O-N 3.38Å; V59-I62 VanDerWaalsContact O-N 3.14Å; R60-I62 VanDerWaalsContact C-N 3.27Å; R60-I62 PolarHBondContact O-N 3.46Å; I62-K65 PolarHBondContact O-N 3.22Å; I62-A66 PolarHBondContact O-N 3Å
63T70.9Confident71.5Confident81 Ų81107.3 Ų107.350%0.49757%0.574SS.*Hα-helixtrans-65.7-39.8177.352.30000112V59 R60 K65 A66V59-T63 PolarHBondContact O-N 3.31Å; V59-T63 VanDerWaalsContact O-N 3.15Å; V59-T63 PolarHBondContact O-OG1 3.03Å; R60-T63 WeakPolarHBondContact CA-OG1 3.36Å; R60-T63 PolarHBondContact O-OG1 3.05Å; T63-K65 VanDerWaalsContact C-N 3.29Å; T63-K65 PolarHBondContact O-N 3.34Å; T63-A66 PolarHBondContact O-N 3.41Å; T63-A66 VanDerWaalsContact O-N 3.15Å
64A64Low69.3Low58 Ų58111.7 Ų111.748%0.47961%0.605SS.*Hα-helixtrans-66.1-27.4177.600000113.9R60 T68R60-A64 WeakPolarHBondContact O-CB 3.36Å; R60-A64 PolarHBondContact O-N 3.33Å; A64-T68 PolarHBondContact O-OG1 3.15Å
65K59.1Low67.1Low169 Ų169117.5 Ų117.574%0.73563%0.625SS**Hα-helixtrans-82-16.4175.2-78.5-167.4171.5-165.50113.6I62 T63I62-K65 PolarHBondContact O-N 3.22Å; T63-K65 VanDerWaalsContact C-N 3.29Å; T63-K65 PolarHBondContact O-N 3.34Å
66A59.9Low64.9Low79 Ų79117 Ų11765%0.65364%0.635SS**Hα-helixtrans-79.4-25.9176.300000112.5I62 T63I62-A66 PolarHBondContact O-N 3Å; T63-A66 PolarHBondContact O-N 3.41Å; T63-A66 VanDerWaalsContact O-N 3.15Å
67E57.6Low62.8Low176 Ų176123.5 Ų123.582%0.82267%0.666SS**SBendtrans-87.8-14.1-180-84.9-179.4136.900114.8
68T55Low60.1Low113 Ų113121.5 Ų121.569%0.69367%0.674SS**SBendtrans-111.611.6-175.739.10000114.9A64 P70A64-T68 PolarHBondContact O-OG1 3.15Å; T68-P70 WeakPolarHBondContact O-CD 3.35Å
69A49.3Very low57.8Low71 Ų71119.1 Ų119.159%0.58769%0.687SS**  trans-87115.9175.700000111.2
70P47.4Very low55.6Low105 Ų105122.9 Ų122.968%0.68270%0.699SS**  trans-62.1140159.6-5.621.8000107.6T68 T72T68-P70 WeakPolarHBondContact O-CD 3.35Å; P70-T72 PolarHBondContact O-N 3.14Å
71R50.6Low53.9Low255 Ų255124.6 Ų124.696%0.96272%0.717SS**SBendtrans-66.482.9173.3-66.5-175.8172.1-161.6-1.4110.1
72T48.5Very low52Low127 Ų127126.2 Ų126.278%0.77973%0.733SS**  trans-132.2120.2158.427.80000107.7P70P70-T72 PolarHBondContact O-N 3.14Å
73G48.8Very low50.3Low73 Ų73125.7 Ų125.775%0.75374%0.744SS**  trans-69.1-172-168.200000114.6
74V50.1Low48.9Very low133 Ų133127.4 Ų127.481%0.80676%0.76SS**  trans97.984.2172.5-152.10000114.5
75H51.1Low47.9Very low164 Ų164130.8 Ų130.876%0.75977%0.774SS**  trans43.7140.7150.3-54.8-75000121.5
76P49.4Very low47.3Very low123 Ų123128.4 Ų128.480%0.79978%0.776SS**  -129.2144.6104.634.5-25.4000113.3S78P76-S78 PolarHBondContact O-N 3.28Å
77F50.3Low46.3Very low210 Ų210133.4 Ų133.492%0.92179%0.786SS**  trans-42.2118171-106.5-108000112.6
78S40Very low45.4Very low105 Ų105133.1 Ų133.173%0.73479%0.788SS**  trans-137.4110.7155.2-141.80000107.3P76 H80P76-S78 PolarHBondContact O-N 3.28Å; S78-H80 PolarHBondContact O-N 2.71Å; S78-H80 PolarHBondContact O-ND1 3.35Å; S78-H80 VanDerWaalsContact O-ND1 3.07Å
79G42.9Very low44.5Very low81 Ų81132.1 Ų132.184%0.83579%0.791SS**  trans-61.1114.8-176.500000110.9
80H41.6Very low44.1Very low160 Ų160134.7 Ų134.774%0.74181%0.805SS**  trans-111.6121.4168.447.5-77.8000107.5S78 A82S78-H80 PolarHBondContact O-N 2.71Å; S78-H80 PolarHBondContact O-ND1 3.35Å; S78-H80 VanDerWaalsContact O-ND1 3.07Å; H80-A82 PolarHBondContact O-N 3.29Å
81I45.9Very low43.5Very low177 Ų177134.5 Ų134.591%0.90881%0.813SS**  trans-64.8110.7161.6-64.3-179.8000105.7A83I81-A83 PolarHBondContact O-N 3.03Å
82A34.6Very low43.3Very low87 Ų87129.2 Ų129.272%0.71981%0.809SS**  trans-83.7106.2175.500000109.1H80H80-A82 PolarHBondContact O-N 3.29Å
83A40Very low42.6Very low93 Ų93127.5 Ų127.577%0.76981%0.807SS**  trans-77.6125.3157.900000107.9I81I81-A83 PolarHBondContact O-N 3.03Å
84S41.1Very low42.3Very low117 Ų117133.9 Ų133.982%0.81882%0.815SS**  trans-67.9135.5176.448.40000111.2
85V43.1Very low42.1Very low128 Ų128133.7 Ų133.778%0.77682%0.816SS**  trans-126.9128161.3177.40000107
86P46.3Very low41.4Very low120 Ų120132 Ų13278%0.77982%0.817SS**  trans-81.8139.5174.932.3-29.3000110.7
87Q39Very low40.9Very low184 Ų184133.5 Ų133.586%0.8682%0.818SS**  trans-75133.6173.9-68.4-82.1-17.200110.5
88I38.6Very low40.1Very low169 Ų169128.7 Ų128.787%0.86781%0.81SS**  trans-133.6133.7154.3-59.2-178.6000108.5
89A36.7Very low40.2Very low93 Ų93129.8 Ų129.877%0.76981%0.813SS**  trans-72.1164.6-166.500000115.3
90S40Very low39.9Very low124 Ų124134.5 Ų134.587%0.86781%0.813SS**  trans-66145-174.7-39.90000115.2
91A35.8Very low40.3Very low102 Ų102133.3 Ų133.384%0.84382%0.817SS**  trans-150.2138.3148.900000111.5
92T44.9Very low40.3Very low144 Ų144130.3 Ų130.388%0.88381%0.809SS**  trans-57.8137.2-176.8-33.10000114.4
93A34.5Very low40.5Very low90 Ų90131.3 Ų131.374%0.74481%0.811SS**  trans169.2128135.600000111.2
94F42.7Very low40.7Very low208 Ų208131.7 Ų131.791%0.91281%0.808SS**  trans-70.6151.1161.2-69.3-85.3000109.7
95P46.5Very low40.8Very low128 Ų128135.2 Ų135.283%0.83181%0.809SS**  -141.6161.3109.334.2-18.2000115.6
96T35.7Very low41Very low129 Ų129133.1 Ų133.179%0.79180%0.8SS**  trans-63.3143.3-179.7-60.60000115
97L38.8Very low41Very low154 Ų154132 Ų13281%0.80680%0.795SS**  trans54.6112.9147.8-159.476.2000119.9
98S32.9Very low41.4Very low109 Ų109130 Ų13076%0.76279%0.789SS**  -172.4138.2124.5-87.40000113.2
99T42.3Very low42Very low129 Ų129128.2 Ų128.279%0.79178%0.781SS**  trans-40.5128.8160.6-41.10000111.8
100Q38Very low42.3Very low180 Ų180131.3 Ų131.384%0.84178%0.78SS**  trans-179.8127.3146.3-97.9159.3117.400110.3
101T47.9Very low42.2Very low135 Ų135130.5 Ų130.583%0.82877%0.774SS**  trans-54.5153.5165.648.60000111.5
102P46.4Very low42.4Very low113 Ų113132.6 Ų132.673%0.73477%0.77SS**  -149.2147.3107.630.1-9.5000116.9
103S39.9Very low42.5Very low108 Ų108132.2 Ų132.276%0.75576%0.763SS**  64.7108127.5-510000122.5
104S43.7Very low42.6Very low102 Ų102133.7 Ų133.771%0.71377%0.768SS**  59.693.9126.4-69.70000120.4
105F43.9Very low43Very low190 Ų190129.5 Ų129.583%0.83376%0.761SS**SBendtrans-89.55.7154.4-92-89000113.7S107F105-S107 VanDerWaalsContact C-N 3.31Å; F105-S107 PolarHBondContact O-N 3.15Å
106S47.2Very low42.3Very low85 Ų85131.5 Ų131.559%0.59477%0.765SS**G310 helixtrans-68.4-18.5-172.8-67.60000115.6L108S106-L108 VanDerWaalsContact C-N 3.34Å; S106-L108 PolarHBondContact O-N 3.45Å
107S46.3Very low42.8Very low97 Ų97131.9 Ų131.968%0.67876%0.762SS**G310 helixtrans-79-9.7-174.1-550000115.2F105F105-S107 VanDerWaalsContact C-N 3.31Å; F105-S107 PolarHBondContact O-N 3.15Å
108L47.4Very low42.7Very low140 Ų140132.4 Ų132.473%0.73376%0.758SS**G310 helixtrans-94.8-12.1179.6-67.4-179.8000114S106S106-L108 VanDerWaalsContact C-N 3.34Å; S106-L108 PolarHBondContact O-N 3.45Å
109L50.8Low42.8Very low133 Ų133136.7 Ų136.770%0.69676%0.759SS**THydrogen-bonded Turntrans-96.6-15.3-179.6-153.365.4000113S111L109-S111 VanDerWaalsContact C-N 3.3Å; L109-S111 PolarHBondContact O-N 3.22Å
110E42Very low42.7Very low158 Ų158137.8 Ų137.874%0.73876%0.759SS**THydrogen-bonded Turntrans-73.6-16-178.8-147.175.7-142.600113.5
111S38.1Very low42.6Very low106 Ų106138.3 Ų138.374%0.74176%0.761SS**THydrogen-bonded Turntrans-91.32.5-176.6-540000115L109L109-S111 VanDerWaalsContact C-N 3.3Å; L109-S111 PolarHBondContact O-N 3.22Å
112L40.3Very low41.8Very low146 Ų146135.8 Ų135.876%0.76476%0.762SS**SBendtrans-112.70.4-179.9-69.7173.3000114.4
113N47.7Very low41.2Very low137 Ų137139.3 Ų139.373%0.73377%0.768SS**  trans-120.289.9175.8-84.4-24.4000111.5
114S35.7Very low41Very low120 Ų120138.8 Ų138.884%0.83977%0.765SS**  trans-155.5120.2141.8-83.10000109.7
115P51Low40.7Very low121 Ų121140.5 Ų140.579%0.78677%0.771SS**  trans-89.4134.916634.3-25.7000108.6
116D31.5Very low40.4Very low170 Ų170135 Ų13591%0.90977%0.768SS**  trans-153.3138.9152.1-127.1-19.9000113.2
117L47.6Very low40Very low137 Ų137142.8 Ų142.872%0.71778%0.784SS**  trans-127140.4-173.4-118.3-175.8000107.3
118F37.1Very low39.7Very low164 Ų164147.1 Ų147.172%0.71979%0.793SS**  trans97.9137.8157.3-70.7-78.5000122.4
119Y34.6Very low39.2Very low200 Ų200149.4 Ų149.478%0.78480%0.803SS**  trans86.9106.4151.1-79.6-70.9000121.9
120L39.2Very low38.7Very low152 Ų152148.2 Ų148.280%0.79681%0.806SS**  166119.7108.9-119.369.1000108.6
121E35.8Very low38.6Very low191 Ų191146.2 Ų146.289%0.89381%0.809SS**  57.4122.292.4-158.3103.9-15600114.7
122G31Very low38.5Very low81 Ų81144.8 Ų144.884%0.83581%0.811SS**  trans160.1106.9165.800000115
123Q35.2Very low38.6Very low187 Ų187145.3 Ų145.387%0.87481%0.814SS**  trans-100.5148.1-169.2162.1167.58200113.3
124S35.8Very low38.3Very low97 Ų97146 Ų14668%0.67882%0.817SS**  trans93.6144.6142.973.90000124.3
125T37.2Very low38.6Very low138 Ų138146.9 Ų146.985%0.84781%0.808SS**  trans81.9123.7150.965.80000120.2
126G37Very low38.3Very low74 Ų74148.9 Ų148.976%0.76381%0.807SS**  trans-88.2168.5173.700000113.8
127R38.3Very low39.1Very low250 Ų250149 Ų14994%0.94380%0.796SS**  trans-165.9129.8149.1-126.6177.5174.9178.7-2109.5
128E41Very low39.2Very low187 Ų187150.1 Ų150.187%0.87480%0.797SS**  trans-69.2145.7166-64.6176.6123.700110.6
129M36.9Very low40.4Very low188 Ų188150.1 Ų150.193%0.92680%0.799SS**  trans-173.2112.1133.2-99.7170.8-164.800111.3
130S40.2Very low41.7Very low109 Ų109146.3 Ų146.376%0.76280%0.799SS**  trans38.3131.5139.6-141.70000124
131S40.4Very low42.7Very low116 Ų116149.6 Ų149.681%0.81180%0.801SS**  trans80.6115.5137.863.10000120.2
132G35.1Very low44Very low75 Ų75146 Ų14677%0.77379%0.794SS**  trans164.374.4166.800000114.8
133N42.5Very low45.4Very low157 Ų157150.4 Ų150.484%0.8480%0.795SS**  trans-10.9116.4160.3-168.811.8000117.6
134L42.1Very low46.9Very low152 Ų152149.7 Ų149.780%0.79679%0.791SS**  trans-163.6117.5150.5-111.3136000112.4
135Q41.9Very low48.2Very low138 Ų138150.1 Ų150.165%0.64579%0.794SS**  trans43101.1153.7-69.7-174.4-14.300118.3Y137Q135-Y137 VanDerWaalsContact C-N 3.27Å; Q135-Y137 HydrophobicContact CB-CD2 4.21Å; Q135-Y137 HydrophobicContact CB-CE2 4.44Å; Q135-Y137 PolarHBondContact O-N 3.07Å
136E43.2Very low49.9Very low164 Ų164149 Ų14977%0.76679%0.789SS**  trans-6381163.5-173.4162.4-162.300111.2H138E136-H138 IonicContact OE1-CE1 2.67Å; E136-H138 PolarHBondContact OE1-CE1 3.05Å; E136-H138 IonicContact OE1-ND1 3.97Å; E136-H138 IonicContact OE1-NE2 2.85Å; E136-H138 PolarHBondContact OE1-NE2 3.16Å
137Y48.3Very low51.5Low172 Ų172150.7 Ų150.768%0.67579%0.787SS**  trans-83.7105.1155.3-85.9-88.2000107.5Q135 H139Q135-Y137 VanDerWaalsContact C-N 3.27Å; Q135-Y137 HydrophobicContact CB-CD2 4.21Å; Q135-Y137 HydrophobicContact CB-CE2 4.44Å; Q135-Y137 PolarHBondContact O-N 3.07Å; Y137-H139 PolarHBondContact O-CE1 2.79Å; Y137-H139 PolarHBondContact O-N 3.19Å; Y137-H139 PolarHBondContact O-ND1 3.41Å
138H51.2Low52.9Low160 Ų160144.5 Ų144.574%0.74178%0.779SS**  trans-62.3103.8168.5-71.7-61.8000109.4E136E136-H138 IonicContact OE1-CE1 2.67Å; E136-H138 PolarHBondContact OE1-CE1 3.05Å; E136-H138 IonicContact OE1-ND1 3.97Å; E136-H138 IonicContact OE1-NE2 2.85Å; E136-H138 PolarHBondContact OE1-NE2 3.16Å
139H62Low53.9Low164 Ų164143.8 Ų143.876%0.75978%0.78SS**PPolyproline II helixtrans-73.1128.4169.6-60.265.6000107.4Y137 R141Y137-H139 PolarHBondContact O-CE1 2.79Å; Y137-H139 PolarHBondContact O-N 3.19Å; Y137-H139 PolarHBondContact O-ND1 3.41Å; H139-R141 PolarHBondContact O-N 3.22Å
140P60.7Low55.2Low120 Ų120146.5 Ų146.578%0.77978%0.78SS**PPolyproline II helixtrans-63.2131.8173.826.4-30.6000108
141R60.3Low56.1Low221 Ų221152.9 Ų152.983%0.83479%0.788SS**PPolyproline II helixtrans-52.1139.5178.2-68.1-172.2177.6-143.20.4109.9H139 M143H139-R141 PolarHBondContact O-N 3.22Å; R141-M143 PolarHBondContact O-N 2.85Å
142P64.2Low56.6Low115 Ų115151.4 Ų151.475%0.74778%0.782SS**  trans-62.797.7168.7-17.129.6000109.2H144P142-H144 PolarHBondContact O-N 3.32Å; P142-H144 PolarHBondContact O-ND1 3Å
143M60Low57.4Low174 Ų174153.5 Ų153.586%0.85779%0.785SS**  trans-65.5103.8171.6-74.1-70.3-70.800107.5R141 S145R141-M143 PolarHBondContact O-N 2.85Å; M143-S145 PolarHBondContact O-N 3.43Å
144H65.8Low58.2Low173 Ų173153 Ų15380%0.80178%0.781SS**PPolyproline II helixtrans-59127.9170.4-82.255.9000108.4P142P142-H144 PolarHBondContact O-N 3.32Å; P142-H144 PolarHBondContact O-ND1 3Å
145S64.1Low58.8Low105 Ų105151.3 Ų151.373%0.73478%0.78SS**PPolyproline II helixtrans-55.7131177.7570000109.8M143M143-S145 PolarHBondContact O-N 3.43Å
146P73.1Confident59.1Low115 Ų115152.9 Ų152.975%0.74779%0.791SS**PPolyproline II helixtrans-59.3141.8175.623.4-31.2000109.8
147P70.4Confident59.8Low109 Ų109152.5 Ų152.571%0.70879%0.794SS**PPolyproline II helixtrans-58.8145.8-179.224-32.8000110.3L149P147-L149 PolarHBondContact O-N 3.28Å; P147-L149 VanDerWaalsContact O-N 3.09Å
148P68.6Low60Low121 Ų121149.2 Ų149.279%0.78679%0.794SS**PPolyproline II helixtrans-60.2119.8-177.223.7-32.8000110R150P148-R150 PolarHBondContact O-N 2.8Å
149L61.9Low59.8Low172 Ų172146.7 Ų146.790%0.90179%0.791SS**  trans-57112.3174.7-69.9170.5000108.9P147 R151P147-L149 PolarHBondContact O-N 3.28Å; P147-L149 VanDerWaalsContact O-N 3.09Å; L149-R151 PolarHBondContact O-N 3.01Å
150R63.4Low58.7Low244 Ų244144.6 Ų144.692%0.92179%0.79SS**  trans-62.4107.2167-73.4-81.3-178.5143.50.5106.6P148 A152P148-R150 PolarHBondContact O-N 2.8Å; R150-A152 PolarHBondContact O-N 3.09Å; R150-A152 VanDerWaalsContact O-N 3.12Å
151R60Low57.9Low244 Ų244147.6 Ų147.692%0.92179%0.791SS**  trans-55.3119.9171.2-151.3177.6-160.5166.94.5107.2L149 S153L149-R151 PolarHBondContact O-N 3.01Å; R151-S153 PolarHBondContact O-N 3.03Å; R151-S153 VanDerWaalsContact O-N 3.1Å
152A49.6Very low56.7Low84 Ų84143.9 Ų143.969%0.69479%0.788SS**  trans-52.8120176.900000108.7R150 L154R150-A152 PolarHBondContact O-N 3.09Å; R150-A152 VanDerWaalsContact O-N 3.12Å; A152-L154 PolarHBondContact O-N 3.12Å
153S53.2Low55.3Low119 Ų119143.3 Ų143.383%0.83279%0.787SS**  trans-7298.4171.144.50000107.5R151R151-S153 PolarHBondContact O-N 3.03Å; R151-S153 VanDerWaalsContact O-N 3.1Å
154L58.8Low54.3Low146 Ų146141.9 Ų141.976%0.76479%0.787SS**  trans-60134.6165.7-66.6168.7000108.4A152 L156A152-L154 PolarHBondContact O-N 3.12Å; L154-L156 PolarHBondContact O-N 3.1Å; L154-L156 VanDerWaalsContact O-N 3.13Å
155P54.4Low52.9Low117 Ų117139.2 Ų139.276%0.7678%0.783SS**  trans-65.5116.1173.326.8-30.7000108.3L157P155-L157 PolarHBondContact O-N 3.07Å
156L49.2Very low51.5Low171 Ų171141.5 Ų141.590%0.89579%0.787SS**  trans-66.7115.9167.3-80.3124.6000107.8L154L154-L156 PolarHBondContact O-N 3.1Å; L154-L156 VanDerWaalsContact O-N 3.13Å
157L56.1Low49.9Very low156 Ų156142.5 Ų142.582%0.81779%0.791SS**PPolyproline II helixtrans-61.4143.7165.7-64.3170.7000109.4P155P155-L157 PolarHBondContact O-N 3.07Å
158P53.5Low48.2Very low104 Ų104146.7 Ų146.768%0.67580%0.801SS**PPolyproline II helixtrans-70.8152.1176.229.9-33.1000111.1V160P158-V160 PolarHBondContact O-N 3.26Å
159P46.2Very low46.6Very low106 Ų106146.4 Ų146.469%0.68880%0.802SS**PPolyproline II helixtrans-70.9119.2173.629-31.1000109.7F161P159-F161 HydrophobicContact CB-CD2 4.5Å; P159-F161 PolarHBondContact O-N 3.13Å
160V40.4Very low45.5Very low121 Ų121145.8 Ų145.873%0.73380%0.798SS**  trans-69.597.2163.5178.40000107.1P158 N162P158-V160 PolarHBondContact O-N 3.26Å; V160-N162 PolarHBondContact O-N 3.27Å
161F42.4Very low44.2Very low182 Ų182141.9 Ų141.980%0.79880%0.795SS**  trans-72.2105.1160.4-95.7-90.7000107.4P159 S163P159-F161 HydrophobicContact CB-CD2 4.5Å; P159-F161 PolarHBondContact O-N 3.13Å; F161-S163 PolarHBondContact O-N 3.31Å; F161-S163 VanDerWaalsContact O-N 3.16Å
162N36.7Very low42.8Very low143 Ų143137.3 Ų137.377%0.76579%0.789SS**  trans-73.496.5163.6-76.3-34.5000108.2V160V160-N162 PolarHBondContact O-N 3.27Å
163S33.8Very low42Very low103 Ų103139 Ų13972%0.7279%0.791SS**  trans-86.1114.9159.744.30000108.7F161 T165F161-S163 PolarHBondContact O-N 3.31Å; F161-S163 VanDerWaalsContact O-N 3.16Å; S163-T165 PolarHBondContact O-N 3.46Å
164V39.9Very low41.8Very low144 Ų144138.9 Ų138.987%0.87379%0.787SS**  trans-70.8100.8170.5-178.50000108.3
165T35.4Very low40.5Very low117 Ų117136.2 Ų136.272%0.71879%0.786SS**  trans-151.7109158.8-38.10000111.6S163S163-T165 PolarHBondContact O-N 3.46Å
166L35.4Very low39.6Very low154 Ų154139 Ų13981%0.80679%0.789SS**  trans38.1114146-59.2171.9000119.6Q168L166-Q168 PolarHBondContact O-N 2.85Å
167T38.4Very low39.1Very low136 Ų136137.2 Ų137.283%0.83479%0.785SS**  trans-43.9124152.648.80000112.7
168Q34.4Very low38.8Very low196 Ų196135.2 Ų135.292%0.91678%0.782SS**  trans-128116.9145.4-84.1-130.29000108.7L166L166-Q168 PolarHBondContact O-N 2.85Å
169S35.4Very low39Very low115 Ų115135.3 Ų135.380%0.80478%0.782SS**  trans-76.3141.4175.5-176.70000110.1
170L38.8Very low38.6Very low159 Ų159139 Ų13983%0.83280%0.795SS**  trans-51.7137167.9-68.9160.6000111.9
171L35.4Very low38.6Very low163 Ų163142.5 Ų142.585%0.85380%0.801SS**  -173.1111.8122.6-131.460000113.3
172N32.1Very low38.6Very low148 Ų148141 Ų14179%0.79180%0.8SS**  trans46.5114.9134.4-110.22.9000123
173T32.3Very low38.4Very low119 Ų119140.7 Ų140.773%0.7380%0.799SS**  trans12.8163.81357.30000122.1
174P48.6Very low38.5Very low117 Ų117139.2 Ų139.276%0.7679%0.793SS**  cis-139.8178.1-535.9-14.4000116.5
175A31.8Very low38.4Very low89 Ų89139 Ų13974%0.73679%0.786SS**  trans126.5113.313900000118.3
176Q36.1Very low38.4Very low177 Ų177141 Ų14183%0.82779%0.788SS**  trans56.3112.7132.6-60.7-168.5-4.200122.4
177T37.2Very low38.7Very low132 Ų132139.3 Ų139.381%0.8179%0.788SS**  trans70.5145.8135.646.60000122.6
178P51.3Low38.5Very low115 Ų115136.5 Ų136.575%0.74779%0.786SS**  trans-111.2-154.9-164.541.8-25.7000111.8
179P57.3Low38.8Very low106 Ų106132 Ų13269%0.68878%0.782SS**  -116.5167.7-51.132.3-16.4000111.2
180L38.3Very low39Very low182 Ų182132 Ų13295%0.95378%0.782SS**  trans-141.8137159.6-79.5-175.5000113.3
181F40.6Very low39Very low195 Ų195131.7 Ų131.786%0.85578%0.781SS**  trans-66.3-179.5175.6-104.5-107.8000113.8
182L40.8Very low39.2Very low151 Ų151127.2 Ų127.279%0.79177%0.767SS**  trans96.7138.2170.5-85.273.3000114.6
183D33.3Very low39.3Very low136 Ų136127.8 Ų127.873%0.72777%0.765SS**  cis-161.7171.92.3-150.2-63.4000108.3
184A35Very low39.6Very low73 Ų73133.2 Ų133.260%0.60377%0.774SS**  trans-51177.6162.700000112.7
185L39.1Very low39Very low140 Ų140134.8 Ų134.873%0.73378%0.776SS**  cis-170.2152.130.7-165.975.5000103.4
186E34.5Very low39.4Very low159 Ų159136 Ų13674%0.74377%0.774SS**  126.2153.8102.6-156.6167.4179.200109.7
187S41.7Very low39.3Very low117 Ų117137 Ų13782%0.81878%0.779SS**  trans87.1123.8162.8-44.90000114.8
188G35.8Very low39.1Very low77 Ų77135.2 Ų135.279%0.79477%0.772SS**  cis160.1137.510.900000107.5
189A40.3Very low38.4Very low101 Ų101139 Ų13984%0.83578%0.779SS**  trans-77155-173.700000114.2
190S38.1Very low37.4Very low115 Ų115142.1 Ų142.180%0.80479%0.785SS**  trans177.8148.6151.5-96.20000109.4
191L39.1Very low37.5Very low154 Ų154140.9 Ų140.981%0.80678%0.779SS**  cis178.7136.4-517467.4000105.6
192A39.9Very low37.2Very low68 Ų68139.4 Ų139.456%0.56278%0.78SS**  trans45.9125144.800000120.5
193H35.2Very low37.5Very low160 Ų160138.9 Ų138.974%0.74178%0.783SS**  108.712778-109.8-89000110.5
194Y37.8Very low37.8Very low234 Ų234143.4 Ų143.492%0.91879%0.79SS**  -166.4107124.7-35.4-80.6000105.2
195D35.9Very low38.5Very low150 Ų150148.1 Ų148.180%0.80280%0.804SS**  80.5153.191-152.120.6000116.1
196T39.3Very low38.7Very low115 Ų115145 Ų14571%0.70681%0.805SS**  trans-108144.1-138.6-54.60000112.2
197Q34Very low39.1Very low196 Ų196146.6 Ų146.692%0.91681%0.813SS**  trans-150124.8147.4-126.1177.325.200112.3
198S33.2Very low39.4Very low96 Ų96149.3 Ų149.367%0.67182%0.816SS**  trans-78.8139.8-179.351.60000112.8
199H37.9Very low39.8Very low194 Ų194150.3 Ų150.390%0.89881%0.811SS**  trans-157.5135.7140.4-109.2-79.3000110.7
200Q36.1Very low40Very low172 Ų172153.3 Ų153.380%0.80481%0.812SS**  trans-68.8144.4-175.4-62.5166.6-9.700112
201N39.2Very low40.2Very low156 Ų156157.1 Ų157.183%0.83482%0.815SS**  174.9118.6126.6-84.4-21.1000110.4T203N201-T203 PolarHBondContact O-N 2.98Å
202D34.1Very low40.3Very low164 Ų164157 Ų15788%0.87782%0.815SS**  trans-57.2126.2169.4-78.3-65.3000111.8
203T47.7Very low40.5Very low140 Ų140163.9 Ų163.986%0.85983%0.833SS**  trans-153.4122.2142.6-61.70000109.7N201N201-T203 PolarHBondContact O-N 2.98Å
204R40.1Very low40.7Very low230 Ų230161.2 Ų161.287%0.86884%0.839SS**  trans-58.1132.6177.7-63.7169.4156.9-177.3-7.3112.6
205L49.8Very low40.9Very low173 Ų173159.2 Ų159.291%0.90684%0.837SS**  167.9126.5110.8-87.6168.9000109.2
206G42.8Very low41.1Very low73 Ų73161.5 Ų161.575%0.75384%0.84SS**  trans-63.7135.1-166.400000114.3I208G206-I208 PolarHBondContact O-N 3.3Å
207Q43.9Very low41.2Very low194 Ų194164.9 Ų164.991%0.90785%0.853SS**  trans-60.4127.7157.7-74-158.9-29.900110S209Q207-S209 PolarHBondContact O-N 3.43Å
208I46.3Very low41.1Very low173 Ų173160.4 Ų160.489%0.88784%0.843SS**  trans-71.3105.3167.8-68.7158.4000106.8G206G206-I208 PolarHBondContact O-N 3.3Å
209S44.5Very low41.4Very low98 Ų98164.4 Ų164.469%0.68585%0.851SS**  trans-80133176.2-1740000110.7Q207 F211Q207-S209 PolarHBondContact O-N 3.43Å; S209-F211 VanDerWaalsContact C-N 3.26Å; S209-F211 PolarHBondContact O-N 3.02Å
210L45.3Very low41.5Very low164 Ų164164.5 Ų164.586%0.85985%0.853SS**SBendtrans-74.454.7-171.9-169.980.9000113
211F41.6Very low41.4Very low195 Ų195162 Ų16286%0.85585%0.854SS**  trans-149.233.6179.9-94.9-74.6000115.3S209S209-F211 VanDerWaalsContact C-N 3.26Å; S209-F211 PolarHBondContact O-N 3.02Å
212D42.2Very low41.1Very low153 Ų153160.2 Ų160.282%0.81885%0.854SS**SBendtrans-132.748.5-179.6-160.728.2000114
213F42.9Very low41.3Very low212 Ų212157.3 Ų157.393%0.9385%0.846SS**SBendtrans-146.420.9171.1-136.2-94.2000115.3
214A40.4Very low40.9Very low104 Ų104157 Ų15786%0.8684%0.839SS**SBendtrans-112.921.8-17700000114.2
215E40.8Very low40.6Very low191 Ų191151 Ų15189%0.89383%0.832SS**  trans-140.358.6179.7-141.6-168.5174.200113.9
216K42.1Very low39.9Very low198 Ų198151.7 Ų151.786%0.86182%0.824SS**  trans-154.757162.1-143.6175.3-174.1-173.50115.3
217L39.4Very low39.8Very low186 Ų186156.5 Ų156.597%0.97483%0.826SS**  trans-144.867.6155.3-80.9178.2000109.7
218S33.2Very low39.5Very low102 Ų102154.4 Ų154.471%0.71382%0.821SS**  trans-134.698.8163.1168.90000107.6
219Q38.7Very low39.1Very low180 Ų180153 Ų15384%0.84181%0.811SS**  trans158.398.4147.4-89.7157.278.500109.5
220Q40.7Very low38.5Very low197 Ų197155.6 Ų155.692%0.92182%0.817SS**  trans152.493143.1-88.6179.5-6.800110
221S33.7Very low37.9Very low120 Ų120152.2 Ų152.284%0.83981%0.807SS**  trans-159.9100.5137.963.20000108.6
222S33.9Very low37.7Very low118 Ų118152.5 Ų152.583%0.82581%0.808SS**  trans-59.6140.9174.9-47.50000111.9
223S36.5Very low37.8Very low103 Ų103151 Ų15172%0.7281%0.806SS**  trans-6.2126.5150.8-179.40000116.4
224L39.3Very low37.5Very low134 Ų134147 Ų14770%0.70280%0.799SS**  trans-157.2107.1135.7-89.2-177.6000109.9Y226L224-Y226 HydrophobicContact CB-CE2 4.03Å; L224-Y226 HydrophobicContact CD1-CE2 4.18Å
225S34.2Very low37.2Very low103 Ų103147.1 Ų147.172%0.7279%0.794SS**  trans-75.4128.4167.549.90000110.7
226Y35.8Very low37.1Very low187 Ų187145.5 Ų145.573%0.73379%0.787SS**  trans-121.7106.6161.9-69-75.4000109.7L224L224-Y226 HydrophobicContact CB-CE2 4.03Å; L224-Y226 HydrophobicContact CD1-CE2 4.18Å
227Q39.6Very low36.8Very low174 Ų174144.9 Ų144.981%0.81379%0.787SS**  trans-85.2126.6161.6-144.1-149.75500106.6
228L39Very low36.8Very low151 Ų151142.8 Ų142.879%0.79177%0.772SS**  trans-137105.1168.1-110.4155.4000110.2
229Q36.7Very low37.3Very low144 Ų144143.9 Ų143.967%0.67378%0.776SS**  trans-63.7121.9167-178.584.39.100110.4
230N32.8Very low37.1Very low152 Ų152142.8 Ų142.881%0.81377%0.771SS**  trans-121.9113.4165-87.833.4000111
231S32.2Very low36.9Very low92 Ų92140 Ų14064%0.64377%0.768SS**  trans-98.2144.5170.7-45.10000109.9
232F37.4Very low37Very low202 Ų202139.9 Ų139.989%0.88677%0.767SS**  trans-38.1168.6174.8-62.7-79.6000117.9
233P45.1Very low37.4Very low120 Ų120140.7 Ų140.778%0.77977%0.766SS**  cis-15317836.840.8-16.5000120.6
234T36.5Very low37.9Very low128 Ų128141.3 Ų141.379%0.78577%0.768SS**  trans-7.3133.9153.6-77.30000120.5
235S34.7Very low37.9Very low108 Ų108141.4 Ų141.476%0.75577%0.765SS**  trans-172.4110.5130.8-118.60000109.1
236Q38.1Very low38.4Very low157 Ų157144.3 Ų144.373%0.73477%0.769SS**  36.5110.3100.6-78.6-79.91700113.5
237H36.3Very low38.7Very low185 Ų185140.2 Ų140.286%0.85676%0.764SS**  -176.6129.4124.8-97.569.6000111.1
238Q37.6Very low38.7Very low141 Ų141141.5 Ų141.566%0.65976%0.763SS**  trans-78155.4173.8-165.8171.123.800110Q240Q238-Q240 HydrophobicContact CG-CG 4.19Å
239P43.7Very low38.9Very low125 Ų125142.2 Ų142.281%0.81277%0.766SS**  -137141.9113.829.6-14.4000113
240Q35.1Very low39.4Very low158 Ų158141.3 Ų141.374%0.73877%0.771SS**  trans-70138.2174.2-63.8-155.2-13.300111Q238Q238-Q240 HydrophobicContact CG-CG 4.19Å
241T37.1Very low40.1Very low139 Ų139140 Ų14085%0.85377%0.77SS**  trans-130.6130.2151.150.40000109.4
242S35.5Very low40.3Very low116 Ų116141.1 Ų141.181%0.81178%0.778SS**  trans-63.6131.1-172.248.80000113.8
243V42.7Very low41.2Very low135 Ų135136.7 Ų136.782%0.81877%0.77SS**  trans-110.5128.6158.5-71.70000108.7H245V243-H245 PolarHBondContact O-N 3.4Å
244P47.3Very low41.1Very low117 Ų117141.9 Ų141.976%0.7678%0.775SS**  trans-76.4122.8-179.828.2-30.5000111
245H38.9Very low41.3Very low135 Ų135143.2 Ų143.263%0.62578%0.777SS**  trans-64121.1168.6-179.3-92.3000110.1V243 Y248V243-H245 PolarHBondContact O-N 3.4Å; H245-Y248 AromaticContact NE2-CE2 3.61Å
246M44.6Very low42Very low164 Ų164144.3 Ų144.381%0.80878%0.779SS**  trans-108.3100.8165.6-78.2-68.8130.300109.7
247T40.9Very low42.6Very low102 Ų102142.3 Ų142.363%0.62678%0.78SS**  trans11.9111.1150-36.20000117.6L249T247-L249 PolarHBondContact O-N 3.25Å
248Y40.6Very low42.7Very low201 Ų201141.4 Ų141.479%0.78878%0.781SS**PPolyproline II helixtrans-56.9123.1160.5-61.1-91.6000110.6H245H245-Y248 AromaticContact NE2-CE2 3.61Å
249L43.4Very low43.2Very low165 Ų165140 Ų14086%0.86478%0.784SS**PPolyproline II helixtrans-96.4128158.8-78.5168.1000108.9T247T247-L249 PolarHBondContact O-N 3.25Å
250T47.8Very low43.5Very low126 Ų126140 Ų14077%0.77378%0.784SS**PPolyproline II helixtrans-62.2155.7-178.934.30000113.5
251P46.5Very low44.2Very low123 Ų123140.2 Ų140.280%0.79979%0.791SS**PPolyproline II helixtrans-87.1138.1-177.334.1-30.5000111.2
252S37.6Very low44.7Very low116 Ų116139.1 Ų139.181%0.81179%0.789SS**PPolyproline II helixtrans-95.1137.1166.7-78.90000111.6
253P54.5Low45Very low109 Ų109140.2 Ų140.271%0.70879%0.785SS**PPolyproline II helixtrans-93.8132.8-173.536-30000110.6
254Y43.8Very low45Very low230 Ų230139.8 Ų139.890%0.90279%0.785SS**  trans-126.4117.7152.1-79.8-79.4000108.7
255L41Very low44.9Very low156 Ų156138.7 Ų138.782%0.81778%0.777SS**  trans-65.3158.6174.3-77.3155.8000111.5
256T49.8Very low45Very low131 Ų131137.9 Ų137.980%0.80479%0.786SS**  trans102.9147.4152.672.30000117.5
257P49.2Very low44.8Very low115 Ų115140.2 Ų140.275%0.74779%0.787SS**  -121.8150-50.132.5-18.5000111.7
258N39.4Very low44.9Very low165 Ų165142.6 Ų142.688%0.88280%0.796SS**PPolyproline II helixtrans-61.7135.3175.7-70.2-23.3000112.4
259P48.5Very low44.8Very low111 Ų111139 Ų13972%0.72180%0.795SS**PPolyproline II helixtrans-88.8153.1148.233.5-27.3000110.6
260P48.7Very low44.8Very low126 Ų126140.1 Ų140.182%0.81879%0.793SS**PPolyproline II helixtrans-69.9149.7-171.728.6-34000112.9S262P260-S262 PolarHBondContact O-N 3.15Å; P260-S262 VanDerWaalsContact O-N 3.14Å
261D50.6Low44.2Very low163 Ų163138.3 Ų138.387%0.87279%0.791SS**SBendtrans-48.1109178.5-66.9-65.5000113.3
262S47.3Very low44.2Very low116 Ų116138.7 Ų138.781%0.81179%0.793SS**  trans-178.7127.7134.222.50000110.3P260P260-S262 PolarHBondContact O-N 3.15Å; P260-S262 VanDerWaalsContact O-N 3.14Å
263N41.4Very low44.1Very low138 Ų138137 Ų13774%0.73880%0.795SS**  trans103.7113167.6-151.3-12.5000116.3T265N263-T265 PolarHBondContact O-N 3.33Å; N263-T265 VanDerWaalsContact O-N 3.13Å
264P43.4Very low43.1Very low126 Ų126135.3 Ų135.382%0.81880%0.797SS**  trans-80.792.4177.733-33.1000110.6
265T45.7Very low43Very low95 Ų95130.1 Ų130.158%0.58379%0.794SS**  trans-114.5115166.6-55.40000109.1N263 Y267N263-T265 PolarHBondContact O-N 3.33Å; N263-T265 VanDerWaalsContact O-N 3.13Å; T265-Y267 VanDerWaalsContact O-CD2 3.29Å; T265-Y267 WeakPolarHBondContact O-CD2 3.29Å; T265-Y267 PolarHBondContact O-N 3.35Å
266S39.5Very low43Very low117 Ų117128.2 Ų128.282%0.81879%0.794SS**  trans-62.9110.4-177.5-42.60000111L268S266-L268 PolarHBondContact O-N 3.23Å
267Y41.3Very low42.9Very low213 Ų213126.8 Ų126.884%0.83580%0.795SS**  trans-84.7108.3170.8-73.8-88.5000109.6T265T265-Y267 VanDerWaalsContact O-CD2 3.29Å; T265-Y267 WeakPolarHBondContact O-CD2 3.29Å; T265-Y267 PolarHBondContact O-N 3.35Å
268L42.1Very low42.4Very low153 Ų153124.9 Ų124.980%0.80180%0.796SS**  trans-97.6103.8159.7-74.6176.8000108.3S266S266-L268 PolarHBondContact O-N 3.23Å
269T39.8Very low42.8Very low126 Ų126124.3 Ų124.377%0.77379%0.792SS**  trans-83.8117.3170.4-76.30000109.2
270F42.1Very low43Very low188 Ų188125.2 Ų125.283%0.82580%0.795SS**  trans-113.4120.8158.3-76.9-84.7000108.3
271A35.7Very low42.9Very low88 Ų88124.9 Ų124.973%0.72779%0.791SS**  trans-71.4160.1174.300000111.3
272P46.3Very low42.7Very low131 Ų131125.4 Ų125.485%0.85178%0.782SS**  trans-93136.4-152.334.5-31.2000113.1
273G34.9Very low42.4Very low81 Ų81125.3 Ų125.384%0.83578%0.782SS**  trans-162.998.6168.100000111.7
274G34.7Very low42.4Very low73 Ų73125.4 Ų125.475%0.75379%0.787SS**SBendtrans100.492.3156.200000117.4
275S41.8Very low42.8Very low120 Ų120122.4 Ų122.484%0.83978%0.78SS**  trans31.599.1141.9-56.80000119.7
276S41.1Very low43.1Very low117 Ų117121.9 Ų121.982%0.81879%0.793SS**  170.2116.5119.6460000110.9G278S276-G278 PolarHBondContact O-N 3.43Å
277A48.1Very low43.2Very low101 Ų101123.5 Ų123.584%0.83579%0.787SS**  trans27.274.515900000118L279A277-L279 PolarHBondContact O-N 3.37Å
278G38.8Very low43.3Very low74 Ų74119.5 Ų119.576%0.76379%0.785SS**  trans-82105.2165.900000111.2S276S276-G278 PolarHBondContact O-N 3.43Å
279L47.9Very low43.4Very low154 Ų154120.9 Ų120.981%0.80678%0.781SS**  trans-71.6124.2165.6-103.2109.3000109.4A277A277-L279 PolarHBondContact O-N 3.37Å
280V51Low43.7Very low129 Ų129124 Ų12478%0.78278%0.784SS**  trans-100.2116.3169.6-1770000107.7
281T46.8Very low43.9Very low119 Ų119123.6 Ų123.673%0.7379%0.785SS**  trans-103114.5175.5-44.10000107.9
282Y47.8Very low43.9Very low175 Ų175124.8 Ų124.869%0.68679%0.788SS**  trans-97.8126.3168.250.8-90.1000108.5
283S39.3Very low44Very low114 Ų114127 Ų12780%0.79779%0.787SS**  trans-120.498.217755.30000109.1
284T41.5Very low44.3Very low139 Ų139134 Ų13485%0.85379%0.788SS**  trans-127.3112.5163.5-540000106.9
285G52.4Low44.9Very low64 Ų64137.8 Ų137.866%0.6680%0.796SS**SBendtrans71.878.8172.600000115.9H287G285-H287 VanDerWaalsContact C-N 3.26Å; G285-H287 PolarHBondContact O-N 3.36Å
286G51.3Low44.9Very low84 Ų84135.2 Ų135.287%0.86679%0.789SS**SBendtrans63.7-5.1145.900000120.9
287H43.5Very low45.3Very low150 Ų150139.3 Ų139.369%0.69480%0.796SS**  trans-130121.6-177.2-68.7-74000112.3G285 Y289G285-H287 VanDerWaalsContact C-N 3.26Å; G285-H287 PolarHBondContact O-N 3.36Å; H287-Y289 HydrophobicContact CB-CE2 3.95Å
288T42.6Very low45.3Very low129 Ų129141.5 Ų141.579%0.79179%0.791SS**  trans-86.6113.9174.849.90000110.1
289Y44.5Very low45.7Very low182 Ų182145.6 Ų145.671%0.71480%0.795SS**  trans-95.7122.4172.5-69.9-90000110.3H287H287-Y289 HydrophobicContact CB-CE2 3.95Å
290F44.6Very low45.6Very low193 Ų193145.9 Ų145.985%0.84680%0.796SS**  trans-98.6110.3167-83.9-88.8000108.7
291Q48.2Very low45.5Very low179 Ų179147.8 Ų147.884%0.83680%0.797SS**  trans-97.296.6171.8-167.9165.226.400109.8
292S35.1Very low45.2Very low112 Ų112148 Ų14878%0.78380%0.8SS**  trans-84.7118.8170.3-174.90000109.4R294S292-R294 PolarHBondContact O-N 3.23Å
293Q48.9Very low44.8Very low179 Ų179144.1 Ų144.184%0.83680%0.804SS**  trans-79.496.2171.7-68.7-127.442.600109.6
294R39.8Very low44.6Very low228 Ų228140.9 Ų140.986%0.8679%0.789SS**SBendtrans-166.2105.5147.7-104.7173.6-163.1-159.15109.6S292S292-R294 PolarHBondContact O-N 3.23Å
295T48.5Very low44.7Very low151 Ų151143.6 Ų143.693%0.92679%0.792SS**  trans29.7102.6148.2-4.50000117.9
296G41.8Very low44.2Very low67 Ų67148.6 Ų148.669%0.69180%0.798SS**  trans157.9106.1165.400000111.5I298G296-I298 PolarHBondContact O-N 2.79Å
297Q49.1Very low43.6Very low203 Ų203147.9 Ų147.995%0.94979%0.79SS**  trans-59.8118.5171-65.7-89.98.900108.7
298I47.5Very low43.3Very low146 Ų146149.8 Ų149.875%0.74980%0.8SS**  trans-117.4106166.4-61.7173.5000107.5G296 L300G296-I298 PolarHBondContact O-N 2.79Å; I298-L300 PolarHBondContact O-N 3.43Å
299L48Very low43.3Very low161 Ų161150.1 Ų150.184%0.84380%0.802SS**  trans-66.4112.5170.5-175.571.6000108.6Q301L299-Q301 PolarHBondContact O-N 3.49Å
300L46.3Very low43.2Very low159 Ų159149.7 Ų149.783%0.83281%0.811SS**  trans-86.8106.8172.5-76.1158000109.1I298I298-L300 PolarHBondContact O-N 3.43Å
301Q48.6Very low42.9Very low170 Ų170144 Ų14479%0.79481%0.806SS**  trans-68.9141.8160.8-89.1-1800.400109.8L299 A303L299-Q301 PolarHBondContact O-N 3.49Å; Q301-A303 PolarHBondContact O-N 3.43Å
302P40.8Very low42.6Very low123 Ų123147 Ų14780%0.79981%0.81SS**  trans-71.9124168.124.2-22.7000109.6G304P302-G304 PolarHBondContact O-N 3.07Å
303A37.5Very low42.8Very low93 Ų93149 Ų14977%0.76981%0.812SS**  trans-60.5110.2172.400000109.5Q301Q301-A303 PolarHBondContact O-N 3.43Å
304G35.3Very low43.2Very low47 Ų47146 Ų14649%0.48581%0.807SS.*  trans-62139.3172.800000110.7P302 H306P302-G304 PolarHBondContact O-N 3.07Å; G304-H306 PolarHBondContact O-CE1 3.19Å; G304-H306 PolarHBondContact O-N 3.43Å; G304-H306 PolarHBondContact O-NE2 3.13Å
305H44.4Very low43.5Very low195 Ų195140.1 Ų140.190%0.90380%0.801SS**  trans-64113.5168.2-71.740.7000108.8G307H305-G307 PolarHBondContact O-N 3.27Å
306H42.3Very low43.3Very low170 Ų170139 Ų13979%0.78780%0.798SS**  trans-88.995.7164.8-34.2-66.9000107G304 E308G304-H306 PolarHBondContact O-CE1 3.19Å; G304-H306 PolarHBondContact O-N 3.43Å; G304-H306 PolarHBondContact O-NE2 3.13Å; H306-E308 PolarHBondContact O-N 3.21Å
307G39.4Very low43.1Very low69 Ų69147.7 Ų147.771%0.71183%0.827SS**  trans-73.6104.8159.300000108.1H305 T309H305-G307 PolarHBondContact O-N 3.27Å; G307-T309 PolarHBondContact O-N 3.49Å; G307-T309 VanDerWaalsContact O-N 3.15Å
308E35.4Very low42.8Very low190 Ų190144.9 Ų144.989%0.88882%0.821SS**  trans-75.394.9165.8-74.2-175.6115.300108.4H306 L310H306-E308 PolarHBondContact O-N 3.21Å; E308-L310 PolarHBondContact O-N 3.36Å
309T43Very low42.5Very low136 Ų136144.8 Ų144.883%0.83483%0.825SS**  trans-68.7112.9161.327.10000109G307 G311G307-T309 PolarHBondContact O-N 3.49Å; G307-T309 VanDerWaalsContact O-N 3.15Å; T309-G311 PolarHBondContact O-N 3.14Å
310L42.6Very low42.2Very low173 Ų173143.9 Ų143.991%0.90682%0.824SS**  trans-49.3118.9169.3-134.988.1000110.2E308E308-L310 PolarHBondContact O-N 3.36Å
311G38.1Very low42Very low72 Ų72143.1 Ų143.174%0.74282%0.824SS**  trans-61.5132.8170.200000110.7T309T309-G311 PolarHBondContact O-N 3.14Å
312R42.3Very low41.5Very low244 Ų244141.4 Ų141.492%0.92183%0.826SS**  trans-84.7112.3178.4-146-179.9-158.2-174.53.9108.1
313D39.8Very low41.6Very low154 Ų154142.6 Ų142.682%0.82483%0.827SS**  trans-66.5132.2164.1-104.1-38000109.9
314P56.3Low41.9Very low114 Ų114146.1 Ų146.174%0.7483%0.832SS**  trans-101.291163.334.1-23.1000108.8
315S45.9Very low42.4Very low105 Ų105153.8 Ų153.873%0.73486%0.858SS**  trans-160.689.7164.8-77.40000109.6
316C46Very low42.2Very low127 Ų127150.3 Ų150.386%0.85886%0.855SS**  trans179.7117.5145.8-93.90000109.8
317L35.8Very low42.2Very low250 Ų250148.5 Ų148.5100%1.30986%0.861SS**  trans66.40158.6-62.1168.2000118.9

Retrieved 317 of 317 residues in 310.3 ms (Link to these results)

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