A0A087WR38_MOUSE Loading...

NADH:ubiquinone oxidoreductase subunit A10

AlphaFold DB , UniProt , Accession A0A087WR38, Species MOUSE (Mus musculus, Mouse), Gene Ndufa10, Length 89 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M82.9Confident91.7Very high176 Ų17664.3 Ų64.387%0.86733%0.332SS*.  0140.20-77-177.5-110.300107.6G74 V76M1-G74 CarbonylContact C-O 3.44Å; M1-G74 WeakPolarHBondContact CA-O 3.22Å; M1-G74 WeakPolarHBondContact CB-O 3.29Å; M1-V76 HydrophobicContact CB-CG2 4.33Å; M1-V76 HydrophobicContact SD-CG2 4.16Å
2K93.4Very high91.5Very high77 Ų7761.8 Ų61.834%0.33533%0.325SS..EExtended strand (participates in β ladder)trans-88.8134.6176.9-174.5172.2174-165.20108.9Y4 H67 G74 V75 V76K2-Y4 HydrophobicContact CB-CE2 4.41Å; K2-Y4 HydrophobicContact CD-CD2 4.45Å; K2-Y4 HydrophobicContact CD-CE2 3.57Å; K2-Y4 HydrophobicContact CG-CD2 4.12Å; K2-Y4 HydrophobicContact CG-CE2 3.7Å; K2-Y4 PolarHBondContact NZ-OH 2.91Å; K2-H67 WeakPolarHBondContact CD-CE1 3.35Å; K2-H67 WeakPolarHBondContact CD-NE2 3.06Å; K2-H67 PolarHBondContact NZ-ND1 3.17Å; K2-H67 VanDerWaalsContact NZ-ND1 3.2Å; K2-G74 PolarHBondContact N-O 3.16Å; K2-V75 CarbonylContact O-C 3.53Å; K2-V75 VanDerWaalsContact O-CA 3.3Å; K2-V75 WeakPolarHBondContact O-CA 3.36Å; K2-V76 PolarHBondContact O-N 3.28Å
3H95.3Very high91.3Very high102 Ų10257.7 Ų57.747%0.47230%0.304SS..EExtended strand (participates in β ladder)trans-101.2132.4177.4174.1-94.9000109.2E78H3-E78 IonicContact CE1-OE1 3.79Å; H3-E78 PolarHBondContact CE1-OE1 2.86Å; H3-E78 VanDerWaalsContact CE1-OE1 3.24Å; H3-E78 IonicContact NE2-OE1 3.67Å; H3-E78 PolarHBondContact NE2-OE1 2.92Å
4Y93.6Very high91.1Very high24 Ų2458.4 Ų58.49%0.09431%0.312CS..EExtended strand (participates in β ladder)trans-112.3122171.1-76.6-122.8000107.4K2 Q60 D63 V75 V76 L77K2-Y4 HydrophobicContact CB-CE2 4.41Å; K2-Y4 HydrophobicContact CD-CD2 4.45Å; K2-Y4 HydrophobicContact CD-CE2 3.57Å; K2-Y4 HydrophobicContact CG-CD2 4.12Å; K2-Y4 HydrophobicContact CG-CE2 3.7Å; K2-Y4 PolarHBondContact NZ-OH 2.91Å; Y4-Q60 HydrophobicContact CD1-CG 4.13Å; Y4-D63 HydrophobicContact CE1-CB 4.03Å; Y4-V75 HydrophobicContact CD2-CG1 3.42Å; Y4-V75 VanDerWaalsContact CD2-CG1 3.42Å; Y4-V75 HydrophobicContact CE2-CG1 3.67Å; Y4-V75 HydrophobicContact CE2-CG2 4.47Å; Y4-V75 HydrophobicContact CG-CG1 4.29Å; Y4-V76 PolarHBondContact N-O 2.64Å; Y4-L77 HydrophobicContact CG-CD2 4.07Å
5P94.1Very high90.9Very high82 Ų8258.9 Ų58.953%0.53232%0.318SS..  trans-68.3160178.930.4-35.5000110.9A7 Q60P5-A7 PolarHBondContact O-N 3.29Å; P5-Q60 PolarHBondContact O-NE2 3.25Å
6E93.1Very high90.6Very high81 Ų8161 Ų6138%0.37933%0.334SS..  trans-49.7128.2179.5-178.5172.1-168.700113.2G8 R57 E78 R79E6-G8 PolarHBondContact O-N 2.97Å; E6-R57 IonicContact OE1-CZ 2.77Å; E6-R57 IonicContact OE1-NH2 3.43Å; E6-R57 PolarHBondContact OE1-NH2 3.29Å; E6-E78 HydrophobicContact CB-CB 4.01Å; E6-E78 PolarHBondContact N-OE2 3.42Å; E6-R79 VanDerWaalsContact CD-NH1 3.29Å; E6-R79 WeakPolarHBondContact OE1-CD 3.41Å; E6-R79 IonicContact OE1-CZ 3.24Å; E6-R79 IonicContact OE1-NE 3.88Å; E6-R79 IonicContact OE1-NH1 3.97Å; E6-R79 PolarHBondContact OE1-NH1 3.43Å; E6-R79 IonicContact OE2-CZ 2.77Å; E6-R79 IonicContact OE2-NH1 3.74Å; E6-R79 PolarHBondContact OE2-NH1 3.24Å
7A92.8Very high90.4Very high1 Ų162.2 Ų62.21%0.00836%0.364CS..  trans-72112.8176.700000111.6P5 Y11 R57 Q60P5-A7 PolarHBondContact O-N 3.29Å; A7-Y11 HydrophobicContact CB-CD2 3.82Å; A7-Y11 HydrophobicContact CB-CE2 4.47Å; A7-Y11 HydrophobicContact CB-CG 3.88Å; A7-R57 HydrophobicContact CB-CG 4.02Å; A7-Q60 HydrophobicContact CB-CB 4.05Å
8G90.6Very high90.4Very high35 Ų3565 Ų6536%0.36138%0.377SS..  trans-96.7-171.4172.100000113.7E6 Q10 Y11E6-G8 PolarHBondContact O-N 2.97Å; G8-Q10 PolarHBondContact O-N 3.24Å; G8-Q10 VanDerWaalsContact O-N 3.11Å; G8-Y11 WeakPolarHBondContact O-CB 3.3Å; G8-Y11 PolarHBondContact O-N 3.47Å; G8-Y11 VanDerWaalsContact O-N 3.1Å
9I90.3Very high90.3Very high32 Ų3263.3 Ų63.316%0.16438%0.375CS..THydrogen-bonded Turntrans-55.3-31.8-178.5-60.5173000112.6S27 L32 L49 W52 L53I9-S27 VanDerWaalsContact CG2-O 3.27Å; I9-S27 WeakPolarHBondContact CG2-O 3.34Å; I9-L32 HydrophobicContact CD1-CB 4.48Å; I9-L49 HydrophobicContact CD1-CD1 3.62Å; I9-L49 HydrophobicContact CG1-CD1 3.97Å; I9-W52 PolarHBondContact O-NE1 2.77Å; I9-L53 HydrophobicContact CG1-CD2 4.12Å
10Q91.3Very high90.3Very high76 Ų7668.8 Ų68.836%0.35539%0.389SS..THydrogen-bonded Turntrans-977.5-174.6-66.2179.1-3.700113.7G8 S12 S13 T14 P21G8-Q10 PolarHBondContact O-N 3.24Å; G8-Q10 VanDerWaalsContact O-N 3.11Å; Q10-S12 VanDerWaalsContact C-N 3.33Å; Q10-S12 PolarHBondContact O-N 2.93Å; Q10-S13 WeakPolarHBondContact CA-OG 3.18Å; Q10-S13 WeakPolarHBondContact CB-OG 3.23Å; Q10-S13 PolarHBondContact O-N 2.83Å; Q10-S13 VanDerWaalsContact O-N 3.12Å; Q10-S13 PolarHBondContact O-OG 2.92Å; Q10-T14 WeakPolarHBondContact O-CG2 3.5Å; Q10-T14 PolarHBondContact O-N 3.41Å; Q10-T14 PolarHBondContact O-OG1 2.65Å; Q10-P21 VanDerWaalsContact OE1-CG 3.25Å
11Y91.9Very high90.1Very high21 Ų2169.4 Ų69.48%0.08240%0.395CS..Hα-helixtrans-53-50.2-176-176.8-96.4000111.8A7 G8 S13 T14 T15 L59 Q60 D63A7-Y11 HydrophobicContact CB-CD2 3.82Å; A7-Y11 HydrophobicContact CB-CE2 4.47Å; A7-Y11 HydrophobicContact CB-CG 3.88Å; G8-Y11 WeakPolarHBondContact O-CB 3.3Å; G8-Y11 PolarHBondContact O-N 3.47Å; G8-Y11 VanDerWaalsContact O-N 3.1Å; Y11-S13 VanDerWaalsContact C-N 3.34Å; Y11-S13 PolarHBondContact O-N 3.34Å; Y11-T14 PolarHBondContact O-N 2.88Å; Y11-T14 VanDerWaalsContact O-N 3.09Å; Y11-T14 PolarHBondContact O-OG1 2.99Å; Y11-T15 HydrophobicContact CD1-CG2 4.23Å; Y11-T15 HydrophobicContact CD2-CG2 4.34Å; Y11-T15 HydrophobicContact CE1-CG2 3.7Å; Y11-T15 HydrophobicContact CE2-CG2 3.85Å; Y11-T15 VanDerWaalsContact CZ-CG2 3.48Å; Y11-T15 PolarHBondContact O-N 3.27Å; Y11-T15 PolarHBondContact O-OG1 2.9Å; Y11-L59 HydrophobicContact CD1-CB 4.28Å; Y11-L59 HydrophobicContact CD1-CD2 4.05Å; Y11-L59 HydrophobicContact CD1-CG 4.25Å; Y11-L59 HydrophobicContact CE1-CB 4.2Å; Y11-L59 HydrophobicContact CE1-CD2 4.15Å; Y11-L59 HydrophobicContact CE1-CG 3.96Å; Y11-Q60 HydrophobicContact CD1-CB 4.27Å; Y11-Q60 HydrophobicContact CD2-CB 4.48Å; Y11-Q60 HydrophobicContact CE1-CB 3.67Å; Y11-Q60 HydrophobicContact CE2-CB 3.88Å; Y11-Q60 HydrophobicContact CE2-CG 4Å; Y11-Q60 VanDerWaalsContact CZ-CB 3.45Å; Y11-Q60 WeakPolarHBondContact OH-CA 3.46Å; Y11-D63 WeakPolarHBondContact CE1-OD2 3.28Å; Y11-D63 PolarHBondContact OH-OD2 3.48Å
12S89.3Confident90.4Very high35 Ų3565.2 Ų65.225%0.24538%0.376CS..Hα-helixtrans-59.2-40.2179.455.80000113.6Q10 T15 T16Q10-S12 VanDerWaalsContact C-N 3.33Å; Q10-S12 PolarHBondContact O-N 2.93Å; S12-T15 PolarHBondContact O-OG1 2.94Å; S12-T16 VanDerWaalsContact O-CB 3.25Å; S12-T16 WeakPolarHBondContact O-CB 3.4Å; S12-T16 PolarHBondContact O-N 3.2Å; S12-T16 PolarHBondContact O-OG1 2.91Å
13S88.8Confident90.1Very high8 Ų866.5 Ų66.56%0.05639%0.387CS..Hα-helixtrans-70.9-30176.547.80000113.1Q10 Y11 G19Q10-S13 WeakPolarHBondContact CA-OG 3.18Å; Q10-S13 WeakPolarHBondContact CB-OG 3.23Å; Q10-S13 PolarHBondContact O-N 2.83Å; Q10-S13 VanDerWaalsContact O-N 3.12Å; Q10-S13 PolarHBondContact O-OG 2.92Å; Y11-S13 VanDerWaalsContact C-N 3.34Å; Y11-S13 PolarHBondContact O-N 3.34Å; S13-G19 WeakPolarHBondContact O-CA 3.36Å
14T88.4Confident89.6Confident68 Ų6866 Ų6642%0.41739%0.386SS..Hα-helixtrans-79.8-29.5178.457.20000113.2Q10 Y11Q10-T14 WeakPolarHBondContact O-CG2 3.5Å; Q10-T14 PolarHBondContact O-N 3.41Å; Q10-T14 PolarHBondContact O-OG1 2.65Å; Y11-T14 PolarHBondContact O-N 2.88Å; Y11-T14 VanDerWaalsContact O-N 3.09Å; Y11-T14 PolarHBondContact O-OG1 2.99Å
15T87.9Confident89.2Confident66 Ų6671.6 Ų71.641%0.40541%0.413SS..Hα-helixtrans-88.2-17179.557.30000113.5Y11 S12Y11-T15 HydrophobicContact CD1-CG2 4.23Å; Y11-T15 HydrophobicContact CD2-CG2 4.34Å; Y11-T15 HydrophobicContact CE1-CG2 3.7Å; Y11-T15 HydrophobicContact CE2-CG2 3.85Å; Y11-T15 VanDerWaalsContact CZ-CG2 3.48Å; Y11-T15 PolarHBondContact O-N 3.27Å; Y11-T15 PolarHBondContact O-OG1 2.9Å; S12-T15 PolarHBondContact O-OG1 2.94Å
16T85.6Confident88.7Confident92 Ų9274.7 Ų74.756%0.56442%0.419SS*.SBendtrans-119.3154.2-175.2-45.90000111.1S12 D18 G19S12-T16 VanDerWaalsContact O-CB 3.25Å; S12-T16 WeakPolarHBondContact O-CB 3.4Å; S12-T16 PolarHBondContact O-N 3.2Å; S12-T16 PolarHBondContact O-OG1 2.91Å; T16-D18 PolarHBondContact O-N 3.28Å; T16-G19 PolarHBondContact O-N 2.96Å
17G88Confident88.1Confident82 Ų8271 Ų7185%0.84540%0.402SS*.THydrogen-bonded Turntrans69.6-130.8172.100000113.2G19G17-G19 VanDerWaalsContact C-N 3.29Å
18D90.4Very high87.2Confident112 Ų11271.6 Ų71.660%0.59941%0.409SS*.THydrogen-bonded Turntrans-86.91-178.970.9-20.2000113.5T16 R20T16-D18 PolarHBondContact O-N 3.28Å; D18-R20 PolarHBondContact O-N 2.68Å; D18-R20 PolarHBondContact OD1-N 3.28Å; D18-R20 VanDerWaalsContact OD2-CD 3.27Å; D18-R20 WeakPolarHBondContact OD2-CD 3.4Å; D18-R20 WeakPolarHBondContact OD2-CG 3.42Å; D18-R20 IonicContact OD2-NE 2.66Å
19G88.4Confident86.8Confident33 Ų3372.9 Ų72.934%0.3441%0.412SS..  trans71.410178.300000114.3S13 T16 G17S13-G19 WeakPolarHBondContact O-CA 3.36Å; T16-G19 PolarHBondContact O-N 2.96Å; G17-G19 VanDerWaalsContact C-N 3.29Å
20R89.7Confident86.5Confident173 Ų17371.5 Ų71.565%0.65341%0.405SS*.PPolyproline II helixtrans-89.9143.9179.1-63.7-174.6-175.8174.30.4110.8D18 L22D18-R20 PolarHBondContact O-N 2.68Å; D18-R20 PolarHBondContact OD1-N 3.28Å; D18-R20 VanDerWaalsContact OD2-CD 3.27Å; D18-R20 WeakPolarHBondContact OD2-CD 3.4Å; D18-R20 WeakPolarHBondContact OD2-CG 3.42Å; D18-R20 IonicContact OD2-NE 2.66Å; R20-L22 PolarHBondContact O-N 2.86Å
21P86.9Confident86.2Confident81 Ų8169.3 Ų69.353%0.52640%0.398SS..PPolyproline II helixtrans-49124.7166.3-33.440.9000112.2Q10Q10-P21 VanDerWaalsContact OE1-CG 3.25Å
22L87.8Confident86.1Confident89 Ų8971.7 Ų71.747%0.46641%0.412SS..PPolyproline II helixtrans-77.8158.5167.9-68.5175.3000110.4R20 F26R20-L22 PolarHBondContact O-N 2.86Å; L22-F26 HydrophobicContact CB-CB 4.31Å; L22-F26 HydrophobicContact CD1-CB 4.47Å
23D87.8Confident86.1Confident104 Ų10477.1 Ų77.156%0.55643%0.433SS*.PPolyproline II helixtrans-60.5150.9172.5-154.8-15.9000110.7E25 F26 S27D23-E25 PolarHBondContact O-N 3.36Å; D23-E25 VanDerWaalsContact O-N 3.14Å; D23-F26 HydrophobicContact CB-CD2 3.98Å; D23-F26 HydrophobicContact CB-CE2 4.44Å; D23-F26 WeakPolarHBondContact O-CA 3.32Å; D23-F26 PolarHBondContact O-N 3.22Å; D23-S27 PolarHBondContact O-N 3.4Å
24I84.2Confident86Confident91 Ų9181 Ų8147%0.46745%0.449SS..THydrogen-bonded Turntrans-56.8-34.1-175.5-79.4166.1000111.6F26 S27 S29I24-F26 PolarHBondContact O-N 2.97Å; I24-S27 WeakPolarHBondContact CA-OG 3.36Å; I24-S27 PolarHBondContact O-N 2.94Å; I24-S29 WeakPolarHBondContact O-CA 3.23Å; I24-S29 PolarHBondContact O-N 3.48Å
25E85.4Confident86.1Confident141 Ų14181.1 Ų81.166%0.65944%0.444SS*.THydrogen-bonded Turntrans-58.8-32.6176.4-62.1-165142.900112.1D23 S29D23-E25 PolarHBondContact O-N 3.36Å; D23-E25 VanDerWaalsContact O-N 3.14Å; E25-S29 PolarHBondContact O-OG 2.96Å
26F83.5Confident86.2Confident147 Ų14785.8 Ų85.865%0.64546%0.456SS*.THydrogen-bonded Turntrans-98-16.4179.1-55-70.4000113.5L22 D23 I24 G28L22-F26 HydrophobicContact CB-CB 4.31Å; L22-F26 HydrophobicContact CD1-CB 4.47Å; D23-F26 HydrophobicContact CB-CD2 3.98Å; D23-F26 HydrophobicContact CB-CE2 4.44Å; D23-F26 WeakPolarHBondContact O-CA 3.32Å; D23-F26 PolarHBondContact O-N 3.22Å; I24-F26 PolarHBondContact O-N 2.97Å; F26-G28 PolarHBondContact O-N 3.24Å
27S80.3Confident86.6Confident3 Ų388.1 Ų88.12%0.02147%0.465CS..THydrogen-bonded Turntrans-96.854.3177.475.40000112.4I9 D23 I24 S29I9-S27 VanDerWaalsContact CG2-O 3.27Å; I9-S27 WeakPolarHBondContact CG2-O 3.34Å; D23-S27 PolarHBondContact O-N 3.4Å; I24-S27 WeakPolarHBondContact CA-OG 3.36Å; I24-S27 PolarHBondContact O-N 2.94Å; S27-S29 VanDerWaalsContact C-N 3.27Å; S27-S29 PolarHBondContact O-N 2.65Å
28G74.4Confident86.8Confident15 Ų1588 Ų8816%0.15545%0.445CS..THydrogen-bonded Turntrans78.32.1175.700000115.7F26 C30 R48F26-G28 PolarHBondContact O-N 3.24Å; G28-C30 PolarHBondContact O-N 3.23Å; G28-C30 VanDerWaalsContact O-N 3.13Å; G28-R48 WeakPolarHBondContact O-CD 3.44Å
29S82.7Confident86.7Confident62 Ų6285.9 Ų85.943%0.43444%0.437SS..THydrogen-bonded Turntrans49.640.4178.5-46.20000112.7I24 E25 S27 R48I24-S29 WeakPolarHBondContact O-CA 3.23Å; I24-S29 PolarHBondContact O-N 3.48Å; E25-S29 PolarHBondContact O-OG 2.96Å; S27-S29 VanDerWaalsContact C-N 3.27Å; S27-S29 PolarHBondContact O-N 2.65Å; S29-R48 PolarHBondContact O-NE 3.3Å; S29-R48 PolarHBondContact O-NH2 3.39Å
30C83.1Confident86.7Confident3 Ų393.5 Ų93.52%0.0246%0.46CS..  trans-129.4146.9-177.664.50000110.3G28 N45 R48 L49G28-C30 PolarHBondContact O-N 3.23Å; G28-C30 VanDerWaalsContact O-N 3.13Å; C30-N45 WeakPolarHBondContact CA-OD1 3.23Å; C30-R48 HydrophobicContact CB-CG 4.39Å; C30-L49 HydrophobicContact CB-CB 4.02Å; C30-L49 HydrophobicContact CB-CD1 4.11Å
31S86.6Confident86.6Confident30 Ų3086.3 Ų86.321%0.2144%0.437CS..  trans-132.1128.5179.5169.90000110.1E33 K34 F35 N45S31-E33 PolarHBondContact OG-N 3.45Å; S31-K34 PolarHBondContact OG-N 3.1Å; S31-F35 PolarHBondContact O-N 3.05Å; S31-N45 PolarHBondContact N-OD1 2.74Å; S31-N45 VanDerWaalsContact N-OD1 3.08Å; S31-N45 PolarHBondContact O-ND2 2.97Å
32L88.1Confident86.7Confident70 Ų7090.6 Ų90.637%0.36646%0.455SS..Hα-helixtrans-68.6-37.8174-174.666.2000111.2I9 K34 F35 Y36 L49I9-L32 HydrophobicContact CD1-CB 4.48Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 3.23Å; L32-F35 HydrophobicContact CD1-CD1 4.38Å; L32-F35 WeakPolarHBondContact O-CB 3.27Å; L32-F35 PolarHBondContact O-N 3.34Å; L32-F35 VanDerWaalsContact O-N 3.17Å; L32-Y36 HydrophobicContact CD1-CE1 4.23Å; L32-Y36 HydrophobicContact CD1-CE2 4.08Å; L32-Y36 HydrophobicContact CD2-CE2 3.82Å; L32-Y36 HydrophobicContact CG-CD2 4.15Å; L32-Y36 HydrophobicContact CG-CE2 3.54Å; L32-Y36 WeakPolarHBondContact O-CD2 3.43Å; L32-Y36 PolarHBondContact O-N 2.91Å; L32-L49 HydrophobicContact CB-CD2 4.43Å; L32-L49 HydrophobicContact CD1-CD2 3.81Å
33E89.4Confident86.7Confident149 Ų14989.1 Ų89.170%0.69645%0.448SS*.Hα-helixtrans-60.2-46.8176.6-62.1173.1166.100110.4S31 F35 Y36 D37S31-E33 PolarHBondContact OG-N 3.45Å; E33-F35 VanDerWaalsContact C-N 3.26Å; E33-F35 PolarHBondContact O-N 2.77Å; E33-Y36 PolarHBondContact O-N 2.81Å; E33-Y36 VanDerWaalsContact O-N 3.08Å; E33-D37 PolarHBondContact O-N 2.66Å
34K87.4Confident86.6Confident90 Ų9086 Ų8639%0.39144%0.44SS..Hα-helixtrans-62.6-34.1177.1-171.9175-172.3176.10112.7S31 L32 D37 D38 D43S31-K34 PolarHBondContact OG-N 3.1Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 3.23Å; K34-D37 PolarHBondContact O-N 3.32Å; K34-D38 PolarHBondContact O-N 2.98Å; K34-D43 VanDerWaalsContact CE-OD2 3.23Å; K34-D43 WeakPolarHBondContact CE-OD2 3.4Å; K34-D43 IonicContact NZ-OD2 2.63Å; K34-D43 PolarHBondContact NZ-OD2 3.31Å
35F90Very high86.8Confident70 Ų7081.8 Ų81.831%0.30742%0.419SS..Hα-helixtrans-68.3-37.6174.8172.2-103.8000112S31 L32 E33 P39 N45 L49S31-F35 PolarHBondContact O-N 3.05Å; L32-F35 HydrophobicContact CD1-CD1 4.38Å; L32-F35 WeakPolarHBondContact O-CB 3.27Å; L32-F35 PolarHBondContact O-N 3.34Å; L32-F35 VanDerWaalsContact O-N 3.17Å; E33-F35 VanDerWaalsContact C-N 3.26Å; E33-F35 PolarHBondContact O-N 2.77Å; F35-P39 HydrophobicContact CD2-CB 3.96Å; F35-P39 HydrophobicContact CE2-CB 3.7Å; F35-P39 HydrophobicContact CZ-CB 4.3Å; F35-P39 WeakPolarHBondContact O-CA 3.39Å; F35-P39 WeakPolarHBondContact O-CB 3.38Å; F35-P39 WeakPolarHBondContact O-CD 3.49Å; F35-N45 PolarHBondContact N-ND2 3.35Å; F35-L49 HydrophobicContact CB-CD2 3.65Å; F35-L49 HydrophobicContact CD1-CD2 4.26Å; F35-L49 HydrophobicContact CG-CD2 3.94Å
36Y91.1Very high87Confident165 Ų16576.5 Ų76.565%0.64740%0.397SS*.Hα-helixtrans-69.1-34174.1-66.8-36.8000112.9L32 E33L32-Y36 HydrophobicContact CD1-CE1 4.23Å; L32-Y36 HydrophobicContact CD1-CE2 4.08Å; L32-Y36 HydrophobicContact CD2-CE2 3.82Å; L32-Y36 HydrophobicContact CG-CD2 4.15Å; L32-Y36 HydrophobicContact CG-CE2 3.54Å; L32-Y36 WeakPolarHBondContact O-CD2 3.43Å; L32-Y36 PolarHBondContact O-N 2.91Å; E33-Y36 PolarHBondContact O-N 2.81Å; E33-Y36 VanDerWaalsContact O-N 3.08Å
37D93.7Very high87.4Confident141 Ų14177 Ų7775%0.75440%0.396SS*.Hα-helixtrans-72.6-50.8177.7-71-20.7000112.5E33 K34E33-D37 PolarHBondContact O-N 2.66Å; K34-D37 PolarHBondContact O-N 3.32Å
38D91.4Very high87.9Confident80 Ų8081 Ų8143%0.42841%0.411SS..  trans-142.390.6178.5-177.211000111.8K34 K40 S41K34-D38 PolarHBondContact O-N 2.98Å; D38-K40 PolarHBondContact O-N 2.99Å; D38-K40 VanDerWaalsContact O-N 3.16Å; D38-K40 PolarHBondContact OD1-N 3.31Å; D38-S41 WeakPolarHBondContact O-CB 3.38Å; D38-S41 PolarHBondContact O-N 2.92Å; D38-S41 PolarHBondContact OD1-N 3.11Å; D38-S41 WeakPolarHBondContact OD2-CA 3.32Å; D38-S41 PolarHBondContact OD2-N 3.39Å
39P87.9Confident88.8Confident67 Ų6780.5 Ų80.544%0.43541%0.405SS..THydrogen-bonded Turntrans-69.7-9.6179.327.7-34.4000113.3F35 S46F35-P39 HydrophobicContact CD2-CB 3.96Å; F35-P39 HydrophobicContact CE2-CB 3.7Å; F35-P39 HydrophobicContact CZ-CB 4.3Å; F35-P39 WeakPolarHBondContact O-CA 3.39Å; F35-P39 WeakPolarHBondContact O-CB 3.38Å; F35-P39 WeakPolarHBondContact O-CD 3.49Å; P39-S46 PolarHBondContact O-OG 3.12Å
40K88.8Confident89.3Confident192 Ų19279 Ų7984%0.83539%0.39SS*.THydrogen-bonded Turntrans-108.514.5178.4-66.3-174179.8-179.40112.8D38 N42D38-K40 PolarHBondContact O-N 2.99Å; D38-K40 VanDerWaalsContact O-N 3.16Å; D38-K40 PolarHBondContact OD1-N 3.31Å; K40-N42 PolarHBondContact O-N 3.26Å
41S88.8Confident89.8Confident22 Ų2281.1 Ų81.115%0.15441%0.406CS..  trans-52.4133.8175.8170.40000111.3D38 D43 G44D38-S41 WeakPolarHBondContact O-CB 3.38Å; D38-S41 PolarHBondContact O-N 2.92Å; D38-S41 PolarHBondContact OD1-N 3.11Å; D38-S41 WeakPolarHBondContact OD2-CA 3.32Å; D38-S41 PolarHBondContact OD2-N 3.39Å; S41-D43 VanDerWaalsContact CB-OD1 3.3Å; S41-D43 WeakPolarHBondContact CB-OD1 3.37Å; S41-D43 PolarHBondContact O-N 3.1Å; S41-D43 VanDerWaalsContact O-N 3.16Å; S41-D43 PolarHBondContact OG-OD1 3.01Å; S41-G44 PolarHBondContact O-N 3.44Å
42N88.1Confident90.1Very high172 Ų17283.3 Ų83.392%0.9241%0.409SS*.THydrogen-bonded Turntrans-73.9-1.8-176.2-16223.4000113.5K40 G44K40-N42 PolarHBondContact O-N 3.26Å; N42-G44 PolarHBondContact O-N 2.97Å
43D87.3Confident90.4Very high57 Ų5781.1 Ų81.131%0.30540%0.398SS..THydrogen-bonded Turntrans-81.70.7177.175.9-25.3000113.6K34 S41 N45 R48K34-D43 VanDerWaalsContact CE-OD2 3.23Å; K34-D43 WeakPolarHBondContact CE-OD2 3.4Å; K34-D43 IonicContact NZ-OD2 2.63Å; K34-D43 PolarHBondContact NZ-OD2 3.31Å; S41-D43 VanDerWaalsContact CB-OD1 3.3Å; S41-D43 WeakPolarHBondContact CB-OD1 3.37Å; S41-D43 PolarHBondContact O-N 3.1Å; S41-D43 VanDerWaalsContact O-N 3.16Å; S41-D43 PolarHBondContact OG-OD1 3.01Å; D43-N45 PolarHBondContact O-N 3.09Å; D43-N45 VanDerWaalsContact OD1-CB 3.31Å; D43-N45 WeakPolarHBondContact OD1-CB 3.39Å; D43-N45 PolarHBondContact OD1-N 2.77Å; D43-N45 VanDerWaalsContact OD1-N 3.08Å; D43-R48 PolarHBondContact O-NH1 2.62Å
44G86.4Confident90.7Very high39 Ų3979.3 Ų79.340%0.40239%0.385SS..  trans68.319.6178.600000114.1S41 N42 S46 R48S41-G44 PolarHBondContact O-N 3.44Å; N42-G44 PolarHBondContact O-N 2.97Å; G44-S46 VanDerWaalsContact C-N 3.26Å; G44-S46 PolarHBondContact O-N 3.18Å; G44-R48 VanDerWaalsContact O-CB 3.29Å; G44-R48 WeakPolarHBondContact O-CB 3.5Å; G44-R48 PolarHBondContact O-N 3.39Å
45N89.1Confident91Very high2 Ų277.4 Ų77.41%0.01139%0.386CS..Hα-helixtrans-57.1-39-179.8-177.257.1000112.2C30 S31 F35 D43 R48 L49C30-N45 WeakPolarHBondContact CA-OD1 3.23Å; S31-N45 PolarHBondContact N-OD1 2.74Å; S31-N45 VanDerWaalsContact N-OD1 3.08Å; S31-N45 PolarHBondContact O-ND2 2.97Å; F35-N45 PolarHBondContact N-ND2 3.35Å; D43-N45 PolarHBondContact O-N 3.09Å; D43-N45 VanDerWaalsContact OD1-CB 3.31Å; D43-N45 WeakPolarHBondContact OD1-CB 3.39Å; D43-N45 PolarHBondContact OD1-N 2.77Å; D43-N45 VanDerWaalsContact OD1-N 3.08Å; N45-R48 PolarHBondContact O-N 3.25Å; N45-L49 WeakPolarHBondContact O-CB 3.46Å; N45-L49 PolarHBondContact O-N 3.48Å
46S89.7Confident91.2Very high30 Ų3074.2 Ų74.221%0.2137%0.373CS..Hα-helixtrans-59.9-55.4-174.4-45.90000112.9P39 G44 Q50P39-S46 PolarHBondContact O-OG 3.12Å; G44-S46 VanDerWaalsContact C-N 3.26Å; G44-S46 PolarHBondContact O-N 3.18Å; S46-Q50 PolarHBondContact O-N 2.73Å; S46-Q50 VanDerWaalsContact O-N 3.09Å
47Y90.9Very high91.4Very high157 Ų15766.9 Ų66.962%0.61634%0.344SS*.Hα-helixtrans-72.4-33.3179.7-173.6-100.8000112.4Q50 S51 L88Y47-Q50 PolarHBondContact O-N 3.29Å; Y47-S51 VanDerWaalsContact CE1-OG 3.29Å; Y47-S51 WeakPolarHBondContact CE1-OG 3.47Å; Y47-S51 WeakPolarHBondContact O-CB 3.39Å; Y47-S51 PolarHBondContact O-N 3.18Å; Y47-S51 PolarHBondContact O-OG 3.49Å; Y47-L88 HydrophobicContact CD2-CD1 3.96Å; Y47-L88 HydrophobicContact CE2-CD1 3.93Å
48R91.4Very high91.5Very high88 Ų8864.2 Ų64.233%0.33233%0.329SS..Hα-helixtrans-63.4-44.8175.7-175.8168.263.5-107.31.8111.2G28 S29 C30 D43 G44 N45 S51 W52G28-R48 WeakPolarHBondContact O-CD 3.44Å; S29-R48 PolarHBondContact O-NE 3.3Å; S29-R48 PolarHBondContact O-NH2 3.39Å; C30-R48 HydrophobicContact CB-CG 4.39Å; D43-R48 PolarHBondContact O-NH1 2.62Å; G44-R48 VanDerWaalsContact O-CB 3.29Å; G44-R48 WeakPolarHBondContact O-CB 3.5Å; G44-R48 PolarHBondContact O-N 3.39Å; N45-R48 PolarHBondContact O-N 3.25Å; R48-S51 PolarHBondContact O-N 3.14Å; R48-W52 WeakPolarHBondContact O-CB 3.14Å; R48-W52 PolarHBondContact O-N 2.8Å
49L92.3Very high91.7Very high5 Ų563.5 Ų63.53%0.02633%0.325CS..Hα-helixtrans-59.2-50.8174.6176.765.2000110.9I9 C30 L32 F35 N45 S51 W52 L53I9-L49 HydrophobicContact CD1-CD1 3.62Å; I9-L49 HydrophobicContact CG1-CD1 3.97Å; C30-L49 HydrophobicContact CB-CB 4.02Å; C30-L49 HydrophobicContact CB-CD1 4.11Å; L32-L49 HydrophobicContact CB-CD2 4.43Å; L32-L49 HydrophobicContact CD1-CD2 3.81Å; F35-L49 HydrophobicContact CB-CD2 3.65Å; F35-L49 HydrophobicContact CD1-CD2 4.26Å; F35-L49 HydrophobicContact CG-CD2 3.94Å; N45-L49 WeakPolarHBondContact O-CB 3.46Å; N45-L49 PolarHBondContact O-N 3.48Å; L49-S51 VanDerWaalsContact C-N 3.34Å; L49-S51 PolarHBondContact O-N 3.23Å; L49-W52 PolarHBondContact O-N 3.45Å; L49-L53 HydrophobicContact CD1-CD1 4.2Å; L49-L53 HydrophobicContact CD1-CG 4.28Å; L49-L53 HydrophobicContact CG-CD1 4.13Å; L49-L53 WeakPolarHBondContact O-CG 3.4Å; L49-L53 PolarHBondContact O-N 3.47Å
50Q93.1Very high92.1Very high29 Ų2960.4 Ų60.414%0.13631%0.305CS..Hα-helixtrans-61.1-43.9-179.7-171.360.726.300111.9S46 Y47 W52 L53 Y54 D84 L88S46-Q50 PolarHBondContact O-N 2.73Å; S46-Q50 VanDerWaalsContact O-N 3.09Å; Y47-Q50 PolarHBondContact O-N 3.29Å; Q50-W52 VanDerWaalsContact C-N 3.3Å; Q50-W52 PolarHBondContact O-N 2.99Å; Q50-L53 PolarHBondContact O-N 3.17Å; Q50-Y54 WeakPolarHBondContact O-CB 3.27Å; Q50-Y54 PolarHBondContact O-N 3.06Å; Q50-D84 VanDerWaalsContact NE2-CG 3.33Å; Q50-D84 PolarHBondContact NE2-O 2.98Å; Q50-D84 PolarHBondContact NE2-OD1 2.93Å; Q50-D84 PolarHBondContact NE2-OD2 3.03Å; Q50-L88 HydrophobicContact CG-CD1 4.07Å
51S93.4Very high92.5Very high48 Ų4854.2 Ų54.234%0.33628%0.277SS..Hα-helixtrans-62.4-38.4176.8-59.40000112.1Y47 R48 L49 A55Y47-S51 VanDerWaalsContact CE1-OG 3.29Å; Y47-S51 WeakPolarHBondContact CE1-OG 3.47Å; Y47-S51 WeakPolarHBondContact O-CB 3.39Å; Y47-S51 PolarHBondContact O-N 3.18Å; Y47-S51 PolarHBondContact O-OG 3.49Å; R48-S51 PolarHBondContact O-N 3.14Å; L49-S51 VanDerWaalsContact C-N 3.34Å; L49-S51 PolarHBondContact O-N 3.23Å; S51-A55 PolarHBondContact O-N 2.9Å
52W94.3Very high92.9Very high76 Ų7655.6 Ų55.629%0.28829%0.29SS..Hα-helixtrans-69.9-39.9178.1-171-100.7000112.6I9 R48 L49 Q50 A55 S56I9-W52 PolarHBondContact O-NE1 2.77Å; R48-W52 WeakPolarHBondContact O-CB 3.14Å; R48-W52 PolarHBondContact O-N 2.8Å; L49-W52 PolarHBondContact O-N 3.45Å; Q50-W52 VanDerWaalsContact C-N 3.3Å; Q50-W52 PolarHBondContact O-N 2.99Å; W52-A55 PolarHBondContact O-N 3.37Å; W52-S56 WeakPolarHBondContact O-CB 3.2Å; W52-S56 PolarHBondContact O-N 2.99Å; W52-S56 PolarHBondContact O-OG 3.17Å
53L93.8Very high93.2Very high25 Ų2549.2 Ų49.213%0.13126%0.256CS..Hα-helixtrans-64.4-42.4173.2-70.5174.5000111.4I9 L49 Q50 A55 S56 R57I9-L53 HydrophobicContact CG1-CD2 4.12Å; L49-L53 HydrophobicContact CD1-CD1 4.2Å; L49-L53 HydrophobicContact CD1-CG 4.28Å; L49-L53 HydrophobicContact CG-CD1 4.13Å; L49-L53 WeakPolarHBondContact O-CG 3.4Å; L49-L53 PolarHBondContact O-N 3.47Å; Q50-L53 PolarHBondContact O-N 3.17Å; L53-A55 PolarHBondContact O-N 2.89Å; L53-S56 PolarHBondContact O-N 3Å; L53-R57 WeakPolarHBondContact O-CB 3.45Å; L53-R57 WeakPolarHBondContact O-CG 3.44Å; L53-R57 PolarHBondContact O-N 3.06Å
54Y94.9Very high93.6Very high110 Ų11046.8 Ų46.843%0.43124%0.243SC..Hα-helixtrans-59.1-46.7175.3-178.1-104.2000111.8Q50 S56 R57 L58 I81 D84Q50-Y54 WeakPolarHBondContact O-CB 3.27Å; Q50-Y54 PolarHBondContact O-N 3.06Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; Y54-S56 PolarHBondContact O-N 3.34Å; Y54-R57 PolarHBondContact O-N 2.91Å; Y54-L58 WeakPolarHBondContact O-CB 3.45Å; Y54-L58 PolarHBondContact O-N 2.99Å; Y54-I81 HydrophobicContact CE2-CB 4.18Å; Y54-I81 HydrophobicContact CE2-CG2 4.47Å; Y54-D84 HydrophobicContact CD2-CB 3.92Å; Y54-D84 WeakPolarHBondContact CD2-OD2 3.3Å; Y54-D84 HydrophobicContact CE2-CB 4.48Å
55A94.6Very high94.1Very high50 Ų5048.1 Ų48.141%0.41324%0.241SC..Hα-helixtrans-62-40.2176.500000112.3S51 W52 L53 L58 L59S51-A55 PolarHBondContact O-N 2.9Å; W52-A55 PolarHBondContact O-N 3.37Å; L53-A55 PolarHBondContact O-N 2.89Å; A55-L58 PolarHBondContact O-N 3.44Å; A55-L59 PolarHBondContact O-N 3.22Å
56S94.2Very high94.5Very high4 Ų454.5 Ų54.53%0.02827%0.271CS..Hα-helixtrans-65.4-43.2177.5-61.70000112.1W52 L53 Y54 L58 L59 Q60W52-S56 WeakPolarHBondContact O-CB 3.2Å; W52-S56 PolarHBondContact O-N 2.99Å; W52-S56 PolarHBondContact O-OG 3.17Å; L53-S56 PolarHBondContact O-N 3Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; Y54-S56 PolarHBondContact O-N 3.34Å; S56-L58 VanDerWaalsContact C-N 3.33Å; S56-L59 PolarHBondContact O-N 3.47Å; S56-Q60 PolarHBondContact O-N 3.44Å
57R95.4Very high94.8Very high11 Ų1154.4 Ų54.44%0.04227%0.267CS..Hα-helixtrans-66.3-34.7175-72.1173.4177.4-173.7-2.5112.2E6 A7 L53 Y54 Q60 Y61 I81 D84E6-R57 IonicContact OE1-CZ 2.77Å; E6-R57 IonicContact OE1-NH2 3.43Å; E6-R57 PolarHBondContact OE1-NH2 3.29Å; A7-R57 HydrophobicContact CB-CG 4.02Å; L53-R57 WeakPolarHBondContact O-CB 3.45Å; L53-R57 WeakPolarHBondContact O-CG 3.44Å; L53-R57 PolarHBondContact O-N 3.06Å; Y54-R57 PolarHBondContact O-N 2.91Å; R57-Q60 PolarHBondContact O-N 2.85Å; R57-Y61 WeakPolarHBondContact O-CB 3.27Å; R57-Y61 PolarHBondContact O-N 3.09Å; R57-I81 VanDerWaalsContact C-CG2 3.49Å; R57-I81 HydrophobicContact CB-CG2 3.89Å; R57-D84 WeakPolarHBondContact CD-OD1 3.39Å; R57-D84 IonicContact CZ-OD1 3.05Å; R57-D84 IonicContact NE-OD1 2.81Å; R57-D84 IonicContact NH1-OD1 3.93Å; R57-D84 PolarHBondContact NH1-OD1 2.9Å
58L96.3Very high95.1Very high84 Ų8450.2 Ų50.244%0.4426%0.255SS..Hα-helixtrans-65.5-42.8174.1-176.765000111.5Y54 A55 S56 Y61 A62 I81Y54-L58 WeakPolarHBondContact O-CB 3.45Å; Y54-L58 PolarHBondContact O-N 2.99Å; A55-L58 PolarHBondContact O-N 3.44Å; S56-L58 VanDerWaalsContact C-N 3.33Å; L58-Y61 PolarHBondContact O-N 3.4Å; L58-A62 PolarHBondContact O-N 2.92Å; L58-I81 HydrophobicContact CB-CG2 4.04Å; L58-I81 HydrophobicContact CD1-CD1 3.87Å; L58-I81 HydrophobicContact CD1-CG2 4.3Å
59L95.4Very high95.4Very high66 Ų6653 Ų5335%0.34628%0.275SS..Hα-helixtrans-61.4-46.7174.4-175.762000111Y11 A55 S56 Y61 A62 D63Y11-L59 HydrophobicContact CD1-CB 4.28Å; Y11-L59 HydrophobicContact CD1-CD2 4.05Å; Y11-L59 HydrophobicContact CD1-CG 4.25Å; Y11-L59 HydrophobicContact CE1-CB 4.2Å; Y11-L59 HydrophobicContact CE1-CD2 4.15Å; Y11-L59 HydrophobicContact CE1-CG 3.96Å; A55-L59 PolarHBondContact O-N 3.22Å; S56-L59 PolarHBondContact O-N 3.47Å; L59-Y61 VanDerWaalsContact C-N 3.27Å; L59-Y61 PolarHBondContact O-N 3.34Å; L59-A62 WeakPolarHBondContact O-CB 3.41Å; L59-A62 PolarHBondContact O-N 2.97Å; L59-A62 VanDerWaalsContact O-N 3.11Å; L59-D63 PolarHBondContact O-N 3.11Å
60Q96.4Very high95.6Very high2 Ų256.9 Ų56.91%0.00930%0.303CS..Hα-helixtrans-58.3-39.7175.2177.8173.468.400113Y4 P5 A7 Y11 S56 R57 A62 D63 A64 L77Y4-Q60 HydrophobicContact CD1-CG 4.13Å; P5-Q60 PolarHBondContact O-NE2 3.25Å; A7-Q60 HydrophobicContact CB-CB 4.05Å; Y11-Q60 HydrophobicContact CD1-CB 4.27Å; Y11-Q60 HydrophobicContact CD2-CB 4.48Å; Y11-Q60 HydrophobicContact CE1-CB 3.67Å; Y11-Q60 HydrophobicContact CE2-CB 3.88Å; Y11-Q60 HydrophobicContact CE2-CG 4Å; Y11-Q60 VanDerWaalsContact CZ-CB 3.45Å; Y11-Q60 WeakPolarHBondContact OH-CA 3.46Å; S56-Q60 PolarHBondContact O-N 3.44Å; R57-Q60 PolarHBondContact O-N 2.85Å; Q60-A62 VanDerWaalsContact C-N 3.34Å; Q60-D63 PolarHBondContact O-N 3Å; Q60-A64 WeakPolarHBondContact O-CB 3.43Å; Q60-A64 PolarHBondContact O-N 2.94Å; Q60-L77 HydrophobicContact CG-CD2 3.96Å
61Y96.7Very high95.8Very high61 Ų6159.2 Ų59.224%0.23932%0.319CS..Hα-helixtrans-65.9-38.8177.5-168.4-106.5000111.7R57 L58 L59 A64 L65 L77 I81 Y82R57-Y61 WeakPolarHBondContact O-CB 3.27Å; R57-Y61 PolarHBondContact O-N 3.09Å; L58-Y61 PolarHBondContact O-N 3.4Å; L59-Y61 VanDerWaalsContact C-N 3.27Å; L59-Y61 PolarHBondContact O-N 3.34Å; Y61-A64 PolarHBondContact O-N 3.08Å; Y61-L65 HydrophobicContact CD1-CD1 3.88Å; Y61-L65 HydrophobicContact CD1-CG 4.35Å; Y61-L65 HydrophobicContact CE1-CD1 3.53Å; Y61-L65 HydrophobicContact CE1-CG 4.07Å; Y61-L65 WeakPolarHBondContact O-CG 3.25Å; Y61-L65 PolarHBondContact O-N 3.22Å; Y61-L77 HydrophobicContact CD2-CD1 3.6Å; Y61-L77 HydrophobicContact CE2-CD1 4.16Å; Y61-I81 HydrophobicContact CD1-CD1 3.96Å; Y61-I81 HydrophobicContact CE1-CD1 4.36Å; Y61-I81 HydrophobicContact CG-CD1 4.26Å; Y61-I81 HydrophobicContact CG-CG1 4.47Å; Y61-Y82 HydrophobicContact CE2-CE2 4.39Å
62A96.4Very high95.9Very high52 Ų5260 Ų6043%0.4334%0.335SS..Hα-helixtrans-62-47.1173.300000111.5L58 L59 Q60 A64 L65 E66L58-A62 PolarHBondContact O-N 2.92Å; L59-A62 WeakPolarHBondContact O-CB 3.41Å; L59-A62 PolarHBondContact O-N 2.97Å; L59-A62 VanDerWaalsContact O-N 3.11Å; Q60-A62 VanDerWaalsContact C-N 3.34Å; A62-A64 VanDerWaalsContact C-N 3.29Å; A62-A64 PolarHBondContact O-N 3.39Å; A62-L65 PolarHBondContact O-N 3.3Å; A62-E66 WeakPolarHBondContact O-CB 3.5Å; A62-E66 PolarHBondContact O-N 2.8Å
63D95.4Very high96Very high37 Ų3760.3 Ų60.320%0.19834%0.34CS..Hα-helixtrans-61.7-37.5177.7-61.4-23.7000112Y4 Y11 L59 Q60 H67Y4-D63 HydrophobicContact CE1-CB 4.03Å; Y11-D63 WeakPolarHBondContact CE1-OD2 3.28Å; Y11-D63 PolarHBondContact OH-OD2 3.48Å; L59-D63 PolarHBondContact O-N 3.11Å; Q60-D63 PolarHBondContact O-N 3Å; D63-H67 WeakPolarHBondContact O-CB 3.46Å; D63-H67 PolarHBondContact O-N 2.96Å
64A96.1Very high96.1Very high6 Ų660.5 Ų60.55%0.0535%0.348CS..Hα-helixtrans-68.7-41177.300000112.1Q60 Y61 A62 H67 L68 V75 L77Q60-A64 WeakPolarHBondContact O-CB 3.43Å; Q60-A64 PolarHBondContact O-N 2.94Å; Y61-A64 PolarHBondContact O-N 3.08Å; A62-A64 VanDerWaalsContact C-N 3.29Å; A62-A64 PolarHBondContact O-N 3.39Å; A64-H67 PolarHBondContact O-N 2.87Å; A64-L68 VanDerWaalsContact O-CB 3.28Å; A64-L68 WeakPolarHBondContact O-CB 3.47Å; A64-L68 PolarHBondContact O-N 3.13Å; A64-V75 HydrophobicContact CB-CB 4.39Å; A64-V75 HydrophobicContact CB-CG1 3.86Å; A64-L77 HydrophobicContact CB-CD1 4.08Å; A64-L77 HydrophobicContact CB-CD2 3.73Å; A64-L77 HydrophobicContact CB-CG 4.24Å
65L96.5Very high96.1Very high67 Ų6757 Ų5735%0.35134%0.337SS..Hα-helixtrans-65.7-42.1173.8-74.5178.5000111.5Y61 A62 L68 L69Y61-L65 HydrophobicContact CD1-CD1 3.88Å; Y61-L65 HydrophobicContact CD1-CG 4.35Å; Y61-L65 HydrophobicContact CE1-CD1 3.53Å; Y61-L65 HydrophobicContact CE1-CG 4.07Å; Y61-L65 WeakPolarHBondContact O-CG 3.25Å; Y61-L65 PolarHBondContact O-N 3.22Å; A62-L65 PolarHBondContact O-N 3.3Å; L65-L68 PolarHBondContact O-N 3.14Å; L65-L69 VanDerWaalsContact O-CB 3.32Å; L65-L69 WeakPolarHBondContact O-CB 3.34Å; L65-L69 VanDerWaalsContact O-CG 3.23Å; L65-L69 WeakPolarHBondContact O-CG 3.36Å; L65-L69 PolarHBondContact O-N 3.3Å
66E96.8Very high96.2Very high136 Ų13657.8 Ų57.864%0.63634%0.337SS*.Hα-helixtrans-58.9-48.5174.9-175.5-177.2-179.900110.9A62 L68 L69 S70A62-E66 WeakPolarHBondContact O-CB 3.5Å; A62-E66 PolarHBondContact O-N 2.8Å; E66-L68 PolarHBondContact O-N 3.38Å; E66-L69 PolarHBondContact O-N 3.25Å; E66-S70 VanDerWaalsContact O-CB 3.23Å; E66-S70 WeakPolarHBondContact O-CB 3.38Å; E66-S70 PolarHBondContact O-N 3.01Å; E66-S70 PolarHBondContact O-OG 3.17Å
67H96.3Very high96.3Very high29 Ų2959.8 Ų59.813%0.13435%0.348CS..Hα-helixtrans-60.9-45177.3-175.888.5000111.8K2 D63 A64 S70 T71 Q73 V75K2-H67 WeakPolarHBondContact CD-CE1 3.35Å; K2-H67 WeakPolarHBondContact CD-NE2 3.06Å; K2-H67 PolarHBondContact NZ-ND1 3.17Å; K2-H67 VanDerWaalsContact NZ-ND1 3.2Å; D63-H67 WeakPolarHBondContact O-CB 3.46Å; D63-H67 PolarHBondContact O-N 2.96Å; A64-H67 PolarHBondContact O-N 2.87Å; H67-S70 PolarHBondContact O-OG 3.42Å; H67-T71 PolarHBondContact NE2-OG1 3.08Å; H67-T71 WeakPolarHBondContact O-CB 3.44Å; H67-T71 PolarHBondContact O-N 3.45Å; H67-T71 PolarHBondContact O-OG1 3.23Å; H67-Q73 PolarHBondContact NE2-OE1 3.01Å; H67-V75 HydrophobicContact CB-CG2 4.42Å
68L96.8Very high96.2Very high68 Ų6863.2 Ų63.236%0.35636%0.364SS..Hα-helixtrans-61.8-46.6179.1-179.467.3000111.7A64 L65 E66 G72 Q73 V75A64-L68 VanDerWaalsContact O-CB 3.28Å; A64-L68 WeakPolarHBondContact O-CB 3.47Å; A64-L68 PolarHBondContact O-N 3.13Å; L65-L68 PolarHBondContact O-N 3.14Å; E66-L68 PolarHBondContact O-N 3.38Å; L68-G72 WeakPolarHBondContact O-CA 3.4Å; L68-G72 PolarHBondContact O-N 3.02Å; L68-Q73 VanDerWaalsContact CD1-O 3.23Å; L68-Q73 WeakPolarHBondContact CD1-O 3.12Å; L68-V75 HydrophobicContact CB-CG2 4.46Å
69L97.4Very high96Very high146 Ų14665.1 Ų65.176%0.76437%0.365SS*.Hα-helixtrans-75.2-31.7-176.2-67.9174.3000112.9L65 E66L65-L69 VanDerWaalsContact O-CB 3.32Å; L65-L69 WeakPolarHBondContact O-CB 3.34Å; L65-L69 VanDerWaalsContact O-CG 3.23Å; L65-L69 WeakPolarHBondContact O-CG 3.36Å; L65-L69 PolarHBondContact O-N 3.3Å; E66-L69 PolarHBondContact O-N 3.25Å
70S97.2Very high95.8Very high88 Ų8863.5 Ų63.562%0.61536%0.36SS*.Hα-helixtrans-81.6-37.9179.158.10000113.3E66 H67E66-S70 VanDerWaalsContact O-CB 3.23Å; E66-S70 WeakPolarHBondContact O-CB 3.38Å; E66-S70 PolarHBondContact O-N 3.01Å; E66-S70 PolarHBondContact O-OG 3.17Å; H67-S70 PolarHBondContact O-OG 3.42Å
71T96.7Very high95.7Very high77 Ų7764.6 Ų64.647%0.47237%0.365SS..Hα-helixtrans-104.8-17.9-174.270.50000114.1H67 Q73H67-T71 PolarHBondContact NE2-OG1 3.08Å; H67-T71 WeakPolarHBondContact O-CB 3.44Å; H67-T71 PolarHBondContact O-N 3.45Å; H67-T71 PolarHBondContact O-OG1 3.23Å; T71-Q73 PolarHBondContact O-N 3.25Å; T71-Q73 WeakPolarHBondContact OG1-CB 3.48Å; T71-Q73 PolarHBondContact OG1-N 2.87Å; T71-Q73 VanDerWaalsContact OG1-N 3.17Å
72G95.6Very high95.6Very high64 Ų6469.1 Ų69.166%0.6638%0.383SS*.  trans70.94.7-170.600000114.1L68L68-G72 WeakPolarHBondContact O-CA 3.4Å; L68-G72 PolarHBondContact O-N 3.02Å
73Q96.3Very high95.5Very high83 Ų8368.5 Ų68.539%0.38838%0.376SS..  trans-87.2127.3-178.6-168-173.229.200111.4H67 L68 T71H67-Q73 PolarHBondContact NE2-OE1 3.01Å; L68-Q73 VanDerWaalsContact CD1-O 3.23Å; L68-Q73 WeakPolarHBondContact CD1-O 3.12Å; T71-Q73 PolarHBondContact O-N 3.25Å; T71-Q73 WeakPolarHBondContact OG1-CB 3.48Å; T71-Q73 PolarHBondContact OG1-N 2.87Å; T71-Q73 VanDerWaalsContact OG1-N 3.17Å
74G95.6Very high95.4Very high29 Ų2967.1 Ų67.130%0.29937%0.368SS..  trans-56.8142.1172.900000113.4M1 K2M1-G74 CarbonylContact C-O 3.44Å; M1-G74 WeakPolarHBondContact CA-O 3.22Å; M1-G74 WeakPolarHBondContact CB-O 3.29Å; K2-G74 PolarHBondContact N-O 3.16Å
75V96.6Very high95.2Very high36 Ų3672.7 Ų72.722%0.21839%0.391CS..EExtended strand (participates in β ladder)trans-117138.3-178.9-176.50000110.4K2 Y4 A64 H67 L68 L77K2-V75 CarbonylContact O-C 3.53Å; K2-V75 VanDerWaalsContact O-CA 3.3Å; K2-V75 WeakPolarHBondContact O-CA 3.36Å; Y4-V75 HydrophobicContact CD2-CG1 3.42Å; Y4-V75 VanDerWaalsContact CD2-CG1 3.42Å; Y4-V75 HydrophobicContact CE2-CG1 3.67Å; Y4-V75 HydrophobicContact CE2-CG2 4.47Å; Y4-V75 HydrophobicContact CG-CG1 4.29Å; A64-V75 HydrophobicContact CB-CB 4.39Å; A64-V75 HydrophobicContact CB-CG1 3.86Å; H67-V75 HydrophobicContact CB-CG2 4.42Å; L68-V75 HydrophobicContact CB-CG2 4.46Å; V75-L77 HydrophobicContact CG1-CD2 4.04Å; V75-L77 HydrophobicContact CG1-CG 4.37Å
76V96.3Very high95Very high68 Ų6873.2 Ų73.241%0.41240%0.397SS..EExtended strand (participates in β ladder)trans-106.3124.1171179.60000108M1 K2 Y4M1-V76 HydrophobicContact CB-CG2 4.33Å; M1-V76 HydrophobicContact SD-CG2 4.16Å; K2-V76 PolarHBondContact O-N 3.28Å; Y4-V76 PolarHBondContact N-O 2.64Å
77L95.9Very high94.7Very high46 Ų4671.6 Ų71.624%0.24139%0.388CS..EExtended strand (participates in β ladder)trans-110.8140.2177.2-64.9179.2000110.2Y4 Q60 Y61 A64 V75Y4-L77 HydrophobicContact CG-CD2 4.07Å; Q60-L77 HydrophobicContact CG-CD2 3.96Å; Y61-L77 HydrophobicContact CD2-CD1 3.6Å; Y61-L77 HydrophobicContact CE2-CD1 4.16Å; A64-L77 HydrophobicContact CB-CD1 4.08Å; A64-L77 HydrophobicContact CB-CD2 3.73Å; A64-L77 HydrophobicContact CB-CG 4.24Å; V75-L77 HydrophobicContact CG1-CD2 4.04Å; V75-L77 HydrophobicContact CG1-CG 4.37Å
78E93.2Very high94.3Very high83 Ų8375 Ų7539%0.38841%0.407SS..SBendtrans-93.7110.1169.2-69.6176.317600109.7H3 E6H3-E78 IonicContact CE1-OE1 3.79Å; H3-E78 PolarHBondContact CE1-OE1 2.86Å; H3-E78 VanDerWaalsContact CE1-OE1 3.24Å; H3-E78 IonicContact NE2-OE1 3.67Å; H3-E78 PolarHBondContact NE2-OE1 2.92Å; E6-E78 HydrophobicContact CB-CB 4.01Å; E6-E78 PolarHBondContact N-OE2 3.42Å
79R91.6Very high93.1Very high123 Ų12382.1 Ų82.146%0.46444%0.438SS..SBendtrans56.796.7-175.6-62.6178.1179.8150.9-2113.5E6 S83E6-R79 VanDerWaalsContact CD-NH1 3.29Å; E6-R79 WeakPolarHBondContact OE1-CD 3.41Å; E6-R79 IonicContact OE1-CZ 3.24Å; E6-R79 IonicContact OE1-NE 3.88Å; E6-R79 IonicContact OE1-NH1 3.97Å; E6-R79 PolarHBondContact OE1-NH1 3.43Å; E6-R79 IonicContact OE2-CZ 2.77Å; E6-R79 IonicContact OE2-NH1 3.74Å; E6-R79 PolarHBondContact OE2-NH1 3.24Å; R79-S83 WeakPolarHBondContact CA-OG 3.31Å
80S92.7Very high92.9Very high33 Ų3378.9 Ų78.923%0.23142%0.422CS..  trans-77.8170.1174.971.20000112.1Y82 S83S80-Y82 PolarHBondContact O-N 2.57Å; S80-Y82 VanDerWaalsContact O-N 3.1Å; S80-Y82 PolarHBondContact OG-N 3.08Å; S80-S83 PolarHBondContact N-OG 3.31Å; S80-S83 PolarHBondContact O-N 3.4Å; S80-S83 PolarHBondContact O-OG 3.3Å
81I94.6Very high92.6Very high24 Ų2478.4 Ų78.412%0.12341%0.412CS..G310 helixtrans-53-29.3172.958.7175.9000113.6Y54 R57 L58 Y61 S83 D84Y54-I81 HydrophobicContact CE2-CB 4.18Å; Y54-I81 HydrophobicContact CE2-CG2 4.47Å; R57-I81 VanDerWaalsContact C-CG2 3.49Å; R57-I81 HydrophobicContact CB-CG2 3.89Å; L58-I81 HydrophobicContact CB-CG2 4.04Å; L58-I81 HydrophobicContact CD1-CD1 3.87Å; L58-I81 HydrophobicContact CD1-CG2 4.3Å; Y61-I81 HydrophobicContact CD1-CD1 3.96Å; Y61-I81 HydrophobicContact CE1-CD1 4.36Å; Y61-I81 HydrophobicContact CG-CD1 4.26Å; Y61-I81 HydrophobicContact CG-CG1 4.47Å; I81-S83 PolarHBondContact O-N 3.21Å; I81-D84 WeakPolarHBondContact O-CB 3.41Å; I81-D84 PolarHBondContact O-N 2.63Å
82Y94Very high92.4Very high157 Ų15778.5 Ų78.562%0.61641%0.408SS*.G310 helixtrans-70.6-19.8178.3-61.9-75.4000113Y61 S80 F85Y61-Y82 HydrophobicContact CE2-CE2 4.39Å; S80-Y82 PolarHBondContact O-N 2.57Å; S80-Y82 VanDerWaalsContact O-N 3.1Å; S80-Y82 PolarHBondContact OG-N 3.08Å; Y82-F85 WeakPolarHBondContact O-CD1 3.29Å; Y82-F85 WeakPolarHBondContact O-CE1 3.23Å
83S94.3Very high92.2Very high39 Ų3979.4 Ų79.427%0.27339%0.394SS..G310 helixtrans-98.45.5175.861.10000113.2R79 S80 I81 V86R79-S83 WeakPolarHBondContact CA-OG 3.31Å; S80-S83 PolarHBondContact N-OG 3.31Å; S80-S83 PolarHBondContact O-N 3.4Å; S80-S83 PolarHBondContact O-OG 3.3Å; I81-S83 PolarHBondContact O-N 3.21Å; S83-V86 VanDerWaalsContact O-CG2 3.27Å; S83-V86 WeakPolarHBondContact O-CG2 3.49Å
84D92.4Very high92Very high7 Ų779.1 Ų79.14%0.03739%0.394CS..THydrogen-bonded Turntrans-80.1-33.3-175.1-161.375.9000113Q50 Y54 R57 I81 V86 F87Q50-D84 VanDerWaalsContact NE2-CG 3.33Å; Q50-D84 PolarHBondContact NE2-O 2.98Å; Q50-D84 PolarHBondContact NE2-OD1 2.93Å; Q50-D84 PolarHBondContact NE2-OD2 3.03Å; Y54-D84 HydrophobicContact CD2-CB 3.92Å; Y54-D84 WeakPolarHBondContact CD2-OD2 3.3Å; Y54-D84 HydrophobicContact CE2-CB 4.48Å; R57-D84 WeakPolarHBondContact CD-OD1 3.39Å; R57-D84 IonicContact CZ-OD1 3.05Å; R57-D84 IonicContact NE-OD1 2.81Å; R57-D84 IonicContact NH1-OD1 3.93Å; R57-D84 PolarHBondContact NH1-OD1 2.9Å; I81-D84 WeakPolarHBondContact O-CB 3.41Å; I81-D84 PolarHBondContact O-N 2.63Å; D84-V86 PolarHBondContact O-N 3.16Å; D84-V86 VanDerWaalsContact O-N 3.14Å; D84-F87 PolarHBondContact O-N 3.44Å
85F91.9Very high91.7Very high123 Ų12382.5 Ų82.554%0.53940%0.4SS..G310 helixtrans-62.2-26.4-174.976.6-89.3000113.7Y82 F87 L88 E89Y82-F85 WeakPolarHBondContact O-CD1 3.29Å; Y82-F85 WeakPolarHBondContact O-CE1 3.23Å; F85-F87 PolarHBondContact O-N 3.48Å; F85-L88 PolarHBondContact O-N 2.84Å; F85-E89 PolarHBondContact O-N 3.39Å
86V93.6Very high91.4Very high78 Ų7885.8 Ų85.847%0.47341%0.413SS..G310 helixtrans-67.1-13.7178.3-51.70000113.1S83 D84S83-V86 VanDerWaalsContact O-CG2 3.27Å; S83-V86 WeakPolarHBondContact O-CG2 3.49Å; D84-V86 PolarHBondContact O-N 3.16Å; D84-V86 VanDerWaalsContact O-N 3.14Å
87F89.7Confident91Very high102 Ų10287.2 Ų87.245%0.44741%0.413SS..G310 helixtrans-93.3-9.8174.1-63.5-83.5000112.6D84 F85D84-F87 PolarHBondContact O-N 3.44Å; F85-F87 PolarHBondContact O-N 3.48Å
88L88.4Confident90.6Very high102 Ų10290.6 Ų90.653%0.53443%0.428SS..THydrogen-bonded Turntrans-99.3-31.6179.7-172.868.4000112.9Y47 Q50 F85Y47-L88 HydrophobicContact CD2-CD1 3.96Å; Y47-L88 HydrophobicContact CE2-CD1 3.93Å; Q50-L88 HydrophobicContact CG-CD1 4.07Å; F85-L88 PolarHBondContact O-N 2.84Å
89E70.7Confident90.3Very high216 Ų21691.3 Ų91.3100%1.00943%0.432SS*.  trans-67.30171.5-86.1-168.6144.700112.9F85F85-E89 PolarHBondContact O-N 3.39Å

Retrieved 89 of 89 residues in 128.6 ms (Link to these results)

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