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NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 3

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession G4VBY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 94 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
1M70.8Confident87.5Confident230 Ų230146.2 Ų146.2100%1.13370%0.695SS**  0108.70-167.9-178.8-175.500108.1
2K79.6Confident87.7Confident213 Ų213141.5 Ų141.593%0.92668%0.683SS**  trans-83.9113.1173.9-73.1-175.4-179.3178.80107.9N4K2-N4 PolarHBondContact O-N 3.26Å
3I84.3Confident88Confident141 Ų141135.1 Ų135.172%0.72365%0.648SS**  trans-76110.6174.8-60.7173.7000107.3W5I3-W5 HydrophobicContact CG2-CB 3.65Å; I3-W5 PolarHBondContact O-N 3.29Å; I3-W5 VanDerWaalsContact O-N 3.09Å
4N89.1Confident88.2Confident143 Ų143129.8 Ų129.877%0.76563%0.628SS**  trans-84.760.2172.3-167-17.7000109.8K2K2-N4 PolarHBondContact O-N 3.26Å
5W90.6Very high88.3Confident177 Ų177126.2 Ų126.267%0.6761%0.613SS**PPolyproline II helixtrans-92.5124173.6174.479.2000109I3 C7I3-W5 HydrophobicContact CG2-CB 3.65Å; I3-W5 PolarHBondContact O-N 3.29Å; I3-W5 VanDerWaalsContact O-N 3.09Å; W5-C7 HydrophobicContact CH2-CB 3.61Å; W5-C7 HydrophobicContact CZ2-CB 4.1Å; W5-C7 HydrophobicContact CZ3-CB 3.99Å
6K91.3Very high88.4Confident171 Ų171124.3 Ų124.374%0.74361%0.607SS**PPolyproline II helixtrans-102.7124.8171.9-66-176.4-180-178.60108.3
7C89.9Confident88.6Confident94 Ų94118.4 Ų118.464%0.63558%0.58SS**PPolyproline II helixtrans-59.1130.5173.3-169.90000109.2W5W5-C7 HydrophobicContact CH2-CB 3.61Å; W5-C7 HydrophobicContact CZ2-CB 4.1Å; W5-C7 HydrophobicContact CZ3-CB 3.99Å
8P90.3Very high88.7Confident64 Ų64116.7 Ų116.742%0.41658%0.58SS.*PPolyproline II helixtrans-63.2154.6175.126.9-33.9000111W10 Y13P8-W10 PolarHBondContact O-N 3.36Å; P8-Y13 HydrophobicContact CG-CE2 4.34Å; P8-Y13 WeakPolarHBondContact CG-OH 3.48Å
9D92.7Very high88.9Confident86 Ų86112.5 Ų112.546%0.4656%0.562SS.*PPolyproline II helixtrans-63.6122.3176.4-1746.3000110.1K11 T12D9-K11 PolarHBondContact O-N 3.16Å; D9-K11 PolarHBondContact OD1-N 3.37Å; D9-T12 WeakPolarHBondContact O-CB 3.31Å; D9-T12 PolarHBondContact O-N 3.14Å; D9-T12 PolarHBondContact O-OG1 3.09Å
10W91.4Very high89.1Confident155 Ų155107.2 Ų107.259%0.58754%0.535SS*.G310 helixtrans-64.8-22.6-177.564.5-90.5000112.1P8 T12 Y13P8-W10 PolarHBondContact O-N 3.36Å; W10-T12 PolarHBondContact O-N 3.27Å; W10-Y13 PolarHBondContact O-N 3.36Å
11K92.3Very high89.3Confident134 Ų134106.3 Ų106.358%0.58353%0.528SS*.G310 helixtrans-66.7-21178.3-64.2179.7-179.6-179.70113.1D9 Y13D9-K11 PolarHBondContact O-N 3.16Å; D9-K11 PolarHBondContact OD1-N 3.37Å; K11-Y13 PolarHBondContact O-N 3.39Å
12T90.7Very high90.5Very high90 Ų90100 Ų10055%0.55250%0.496SS*.G310 helixtrans-68.2-22.6176.4-50.50000112.2D9 W10 T14D9-T12 WeakPolarHBondContact O-CB 3.31Å; D9-T12 PolarHBondContact O-N 3.14Å; D9-T12 PolarHBondContact O-OG1 3.09Å; W10-T12 PolarHBondContact O-N 3.27Å; T12-T14 PolarHBondContact O-N 3.47Å
13Y91.3Very high91.2Very high58 Ų5893.5 Ų93.523%0.22747%0.469CS..  trans-84.591.2178.2-57.9-66.9000110.3P8 W10 K11 R38 W42 L45P8-Y13 HydrophobicContact CG-CE2 4.34Å; P8-Y13 WeakPolarHBondContact CG-OH 3.48Å; W10-Y13 PolarHBondContact O-N 3.36Å; K11-Y13 PolarHBondContact O-N 3.39Å; Y13-R38 WeakPolarHBondContact O-CD 3.29Å; Y13-R38 WeakPolarHBondContact O-CG 3.45Å; Y13-W42 HydrophobicContact CD1-CB 3.74Å; Y13-W42 HydrophobicContact CE1-CB 3.34Å; Y13-L45 HydrophobicContact CD1-CD1 4.45Å; Y13-L45 HydrophobicContact CE1-CD1 3.7Å; Y13-L45 HydrophobicContact CE1-CG 4.39Å
14T90.9Very high91.8Very high61 Ų6189.4 Ų89.437%0.37445%0.45SS..  trans-100.5165.5176.859.70000111.5T12 D16 P17 A41T12-T14 PolarHBondContact O-N 3.47Å; T14-D16 VanDerWaalsContact CB-OD2 3.28Å; T14-D16 WeakPolarHBondContact CB-OD2 3.49Å; T14-D16 PolarHBondContact O-N 3.28Å; T14-D16 VanDerWaalsContact O-N 3.15Å; T14-D16 PolarHBondContact OG1-OD2 2.86Å; T14-P17 WeakPolarHBondContact O-CD 3.32Å; T14-A41 VanDerWaalsContact O-CB 3.3Å; T14-A41 WeakPolarHBondContact O-CB 3.32Å
15L89.8Confident92.1Very high76 Ų7687.9 Ų87.940%0.39844%0.438SS..SBendtrans-78.318.9174.4-70.2162.3000112.4P17 L20 K21 V24 A37L15-P17 VanDerWaalsContact C-CD 3.4Å; L15-L20 HydrophobicContact CD2-CD1 4.5Å; L15-L20 HydrophobicContact CD2-CD2 3.71Å; L15-L20 HydrophobicContact CD2-CG 3.77Å; L15-K21 VanDerWaalsContact O-CE 3.31Å; L15-K21 WeakPolarHBondContact O-CE 3.41Å; L15-K21 WeakPolarHBondContact O-CG 3.32Å; L15-V24 HydrophobicContact CD2-CG2 4.23Å; L15-A37 HydrophobicContact CD2-CB 3.59Å
16D90.3Very high92.4Very high96 Ų9685.2 Ų85.251%0.51343%0.432SS..  trans-67.4-32.7-175.8-71.6-45.4000116.7T14 K21T14-D16 VanDerWaalsContact CB-OD2 3.28Å; T14-D16 WeakPolarHBondContact CB-OD2 3.49Å; T14-D16 PolarHBondContact O-N 3.28Å; T14-D16 VanDerWaalsContact O-N 3.15Å; T14-D16 PolarHBondContact OG1-OD2 2.86Å; D16-K21 WeakPolarHBondContact O-CD 3.4Å; D16-K21 WeakPolarHBondContact O-CE 3.46Å; D16-K21 PolarHBondContact O-NZ 3.46Å; D16-K21 IonicContact OD1-NZ 3.56Å; D16-K21 PolarHBondContact OD1-NZ 2.99Å
17P90.5Very high92.7Very high24 Ų2478.7 Ų78.716%0.15641%0.405CS..SBendtrans-57.3131.8-177.5-27.735.3000113.1T14 L15 P19 L20 K21 Y44T14-P17 WeakPolarHBondContact O-CD 3.32Å; L15-P17 VanDerWaalsContact C-CD 3.4Å; P17-P19 VanDerWaalsContact C-CD 3.47Å; P17-L20 HydrophobicContact CB-CB 4.32Å; P17-L20 WeakPolarHBondContact O-CB 3.38Å; P17-L20 PolarHBondContact O-N 3.43Å; P17-K21 PolarHBondContact O-N 2.95Å; P17-Y44 VanDerWaalsContact CB-CB 3.44Å; P17-Y44 HydrophobicContact CB-CD2 4.24Å; P17-Y44 HydrophobicContact CB-CG 3.9Å; P17-Y44 HydrophobicContact CG-CG 4.37Å
18P91.4Very high93Very high88 Ų8877.2 Ų77.257%0.57140%0.399SS*.Hα-helixtrans-52.5-44.3-177.6-24.831.2000114.8L20 K21 E22P18-L20 PolarHBondContact O-N 3.3Å; P18-K21 PolarHBondContact O-N 3.45Å; P18-E22 WeakPolarHBondContact O-CG 3.37Å; P18-E22 PolarHBondContact O-N 3.03Å
19P91.7Very high93.3Very high37 Ų3782.4 Ų82.424%0.2442%0.415CS..Hα-helixtrans-62.3-31.9179.7-23.735.4000113.2P17 H23 Y44P17-P19 VanDerWaalsContact C-CD 3.47Å; P19-H23 PolarHBondContact O-N 3.47Å; P19-H23 VanDerWaalsContact O-N 3.16Å; P19-Y44 HydrophobicContact CB-CD1 4.2Å; P19-Y44 HydrophobicContact CB-CE1 3.57Å; P19-Y44 HydrophobicContact CG-CD1 3.91Å; P19-Y44 HydrophobicContact CG-CE1 3.68Å
20L93.2Very high93.5Very high6 Ų684.4 Ų84.43%0.03143%0.425CS..Hα-helixtrans-78.7-37.5-179.4-167.956.6000111.5L15 P17 P18 H23 V24 A37 A41 Y44L15-L20 HydrophobicContact CD2-CD1 4.5Å; L15-L20 HydrophobicContact CD2-CD2 3.71Å; L15-L20 HydrophobicContact CD2-CG 3.77Å; P17-L20 HydrophobicContact CB-CB 4.32Å; P17-L20 WeakPolarHBondContact O-CB 3.38Å; P17-L20 PolarHBondContact O-N 3.43Å; P18-L20 PolarHBondContact O-N 3.3Å; L20-H23 PolarHBondContact O-N 3.24Å; L20-V24 WeakPolarHBondContact O-CG2 3.29Å; L20-V24 PolarHBondContact O-N 3.21Å; L20-A37 HydrophobicContact CD1-CB 4.08Å; L20-A37 WeakPolarHBondContact CD1-O 3.19Å; L20-A37 WeakPolarHBondContact CD2-O 3.49Å; L20-A41 HydrophobicContact CD2-CB 3.85Å; L20-Y44 HydrophobicContact CB-CD2 4.43Å; L20-Y44 HydrophobicContact CB-CE2 4.37Å
21K94.3Very high93.8Very high88 Ų8880.5 Ų80.538%0.38343%0.432SS..Hα-helixtrans-60.1-48.6170.6-71-177.4165.3149.40111.2L15 D16 P17 P18 H23 V24 E25L15-K21 VanDerWaalsContact O-CE 3.31Å; L15-K21 WeakPolarHBondContact O-CE 3.41Å; L15-K21 WeakPolarHBondContact O-CG 3.32Å; D16-K21 WeakPolarHBondContact O-CD 3.4Å; D16-K21 WeakPolarHBondContact O-CE 3.46Å; D16-K21 PolarHBondContact O-NZ 3.46Å; D16-K21 IonicContact OD1-NZ 3.56Å; D16-K21 PolarHBondContact OD1-NZ 2.99Å; P17-K21 PolarHBondContact O-N 2.95Å; P18-K21 PolarHBondContact O-N 3.45Å; K21-H23 VanDerWaalsContact C-N 3.28Å; K21-H23 PolarHBondContact O-N 2.99Å; K21-V24 PolarHBondContact O-N 3.37Å; K21-E25 WeakPolarHBondContact O-CB 3.29Å; K21-E25 WeakPolarHBondContact O-CG 3.44Å; K21-E25 PolarHBondContact O-N 3.2Å
22E94.9Very high94Very high98 Ų9879 Ų7946%0.45843%0.431SS..Hα-helixtrans-58.8-39.6177.5-73.7179.1-155.800112.6P18 K26P18-E22 WeakPolarHBondContact O-CG 3.37Å; P18-E22 PolarHBondContact O-N 3.03Å; E22-K26 WeakPolarHBondContact O-CB 3.45Å; E22-K26 WeakPolarHBondContact O-CD 3.41Å; E22-K26 WeakPolarHBondContact O-CG 3.35Å; E22-K26 PolarHBondContact O-N 2.69Å; E22-K26 IonicContact OE2-NZ 2.6Å
23H95.1Very high94.2Very high76 Ų7684 Ų8435%0.35245%0.445SS..Hα-helixtrans-63.3-48.5176175.968.9000111.7P19 L20 K21 E25 K26 L27 D34P19-H23 PolarHBondContact O-N 3.47Å; P19-H23 VanDerWaalsContact O-N 3.16Å; L20-H23 PolarHBondContact O-N 3.24Å; K21-H23 VanDerWaalsContact C-N 3.28Å; K21-H23 PolarHBondContact O-N 2.99Å; H23-E25 VanDerWaalsContact C-N 3.34Å; H23-E25 PolarHBondContact O-N 3.41Å; H23-K26 PolarHBondContact O-N 2.93Å; H23-L27 WeakPolarHBondContact NE2-CD1 3.3Å; H23-L27 WeakPolarHBondContact O-CG 3.35Å; H23-L27 PolarHBondContact O-N 3.44Å; H23-D34 IonicContact CD2-OD2 3.76Å; H23-D34 IonicContact NE2-OD2 3.74Å; H23-D34 PolarHBondContact NE2-OD2 3.21Å; H23-D34 VanDerWaalsContact NE2-OD2 3.14Å
24V95.6Very high94.4Very high55 Ų5583.1 Ų83.133%0.33344%0.444SS..Hα-helixtrans-62.5-41.4177.4173.20000111.2L15 L20 K21 L27 A28 A37L15-V24 HydrophobicContact CD2-CG2 4.23Å; L20-V24 WeakPolarHBondContact O-CG2 3.29Å; L20-V24 PolarHBondContact O-N 3.21Å; K21-V24 PolarHBondContact O-N 3.37Å; V24-L27 PolarHBondContact O-N 3.24Å; V24-A28 VanDerWaalsContact O-CB 3.31Å; V24-A28 WeakPolarHBondContact O-CB 3.43Å; V24-A28 PolarHBondContact O-N 3.32Å; V24-A37 HydrophobicContact CG2-CB 3.85Å
25E96.1Very high94.6Very high112 Ų11285.4 Ų85.452%0.52346%0.46SS..Hα-helixtrans-64.6-40.9176.1-74.4173.8-166.900112.4K21 H23 A28 K29K21-E25 WeakPolarHBondContact O-CB 3.29Å; K21-E25 WeakPolarHBondContact O-CG 3.44Å; K21-E25 PolarHBondContact O-N 3.2Å; H23-E25 VanDerWaalsContact C-N 3.34Å; H23-E25 PolarHBondContact O-N 3.41Å; E25-A28 PolarHBondContact O-N 2.96Å; E25-K29 WeakPolarHBondContact O-CG 3.01Å; E25-K29 PolarHBondContact O-N 2.89Å
26K97.1Very high94.8Very high121 Ų12189.7 Ų89.753%0.52647%0.471SS..Hα-helixtrans-63.1-41.9175.5-76.7166-175.7164.20111.6E22 H23 K29E22-K26 WeakPolarHBondContact O-CB 3.45Å; E22-K26 WeakPolarHBondContact O-CD 3.41Å; E22-K26 WeakPolarHBondContact O-CG 3.35Å; E22-K26 PolarHBondContact O-N 2.69Å; E22-K26 IonicContact OE2-NZ 2.6Å; H23-K26 PolarHBondContact O-N 2.93Å; K26-K29 PolarHBondContact O-N 2.89Å
27L97Very high94.9Very high34 Ų3485.2 Ų85.218%0.17845%0.447CS..Hα-helixtrans-68.4-40.4175.5-71.9176.8000112.2H23 V24 K29 L30 G31 L32 D34H23-L27 WeakPolarHBondContact NE2-CD1 3.3Å; H23-L27 WeakPolarHBondContact O-CG 3.35Å; H23-L27 PolarHBondContact O-N 3.44Å; V24-L27 PolarHBondContact O-N 3.24Å; L27-K29 VanDerWaalsContact C-N 3.25Å; L27-K29 PolarHBondContact O-N 2.99Å; L27-L30 CarbonylContact O-C 3.52Å; L27-L30 WeakPolarHBondContact O-CA 3.33Å; L27-L30 WeakPolarHBondContact O-CB 3.38Å; L27-L30 PolarHBondContact O-N 3.41Å; L27-G31 PolarHBondContact O-N 3.31Å; L27-L32 CarbonylContact C-O 3.18Å; L27-L32 HydrophobicContact CB-CB 4.21Å; L27-L32 HydrophobicContact CD2-CB 4.15Å; L27-L32 HydrophobicContact CD2-CD1 4.21Å; L27-L32 PolarHBondContact O-N 3.32Å; L27-D34 HydrophobicContact CD1-CB 3.55Å
28A96.3Very high95Very high62 Ų6290.3 Ų90.351%0.51246%0.463SS..Hα-helixtrans-60.6-36.2177.100000111.9V24 E25 L30 G31 L32V24-A28 VanDerWaalsContact O-CB 3.31Å; V24-A28 WeakPolarHBondContact O-CB 3.43Å; V24-A28 PolarHBondContact O-N 3.32Å; E25-A28 PolarHBondContact O-N 2.96Å; A28-L30 PolarHBondContact O-N 3.48Å; A28-G31 PolarHBondContact O-N 2.89Å; A28-L32 PolarHBondContact N-O 3.3Å
29K97.3Very high95.2Very high173 Ų17390.3 Ų90.375%0.75246%0.458SS*.Hα-helixtrans-62.1-24.6172.6-72171.7-174.4179.70113.5E25 K26 L27E25-K29 WeakPolarHBondContact O-CG 3.01Å; E25-K29 PolarHBondContact O-N 2.89Å; K26-K29 PolarHBondContact O-N 2.89Å; L27-K29 VanDerWaalsContact C-N 3.25Å; L27-K29 PolarHBondContact O-N 2.99Å
30L97.2Very high95.2Very high129 Ų12993.9 Ų93.968%0.67547%0.468SS*.THydrogen-bonded Turntrans-92.90.7175.2-59.4173.6000112.7L27 A28 L32L27-L30 CarbonylContact O-C 3.52Å; L27-L30 WeakPolarHBondContact O-CA 3.33Å; L27-L30 WeakPolarHBondContact O-CB 3.38Å; L27-L30 PolarHBondContact O-N 3.41Å; A28-L30 PolarHBondContact O-N 3.48Å; L30-L32 HydrophobicContact CB-CD1 4.16Å; L30-L32 HydrophobicContact CB-CG 4.22Å; L30-L32 HydrophobicContact CD1-CD1 4.41Å; L30-L32 PolarHBondContact O-N 3.04Å
31G96.9Very high95.3Very high72 Ų7293.8 Ų93.874%0.74247%0.468SS*.THydrogen-bonded Turntrans73.314.2-172.200000114L27 A28L27-G31 PolarHBondContact O-N 3.31Å; A28-G31 PolarHBondContact O-N 2.89Å
32L97Very high95.1Very high104 Ų10495 Ų9555%0.54547%0.47SS..  trans-100.3148.3-179.4-64.1173.4000111.1L27 A28 L30L27-L32 CarbonylContact C-O 3.18Å; L27-L32 HydrophobicContact CB-CB 4.21Å; L27-L32 HydrophobicContact CD2-CB 4.15Å; L27-L32 HydrophobicContact CD2-CD1 4.21Å; L27-L32 PolarHBondContact O-N 3.32Å; A28-L32 PolarHBondContact N-O 3.3Å; L30-L32 HydrophobicContact CB-CD1 4.16Å; L30-L32 HydrophobicContact CB-CG 4.22Å; L30-L32 HydrophobicContact CD1-CD1 4.41Å; L30-L32 PolarHBondContact O-N 3.04Å
33K95Very high95Very high194 Ų19494 Ų9484%0.84347%0.466SS*.  trans-126.3129.1174.2-176.3177.5-179178.70109.8P35K33-P35 WeakPolarHBondContact O-CD 3.31Å
34D95Very high94.9Very high39 Ų3993.6 Ų93.621%0.20946%0.461CS..  trans-94108.9175.7-178.92.4000111H23 L27 W36 A37H23-D34 IonicContact CD2-OD2 3.76Å; H23-D34 IonicContact NE2-OD2 3.74Å; H23-D34 PolarHBondContact NE2-OD2 3.21Å; H23-D34 VanDerWaalsContact NE2-OD2 3.14Å; L27-D34 HydrophobicContact CD1-CB 3.55Å; D34-W36 PolarHBondContact O-N 2.89Å; D34-W36 WeakPolarHBondContact OD1-CA 3.34Å; D34-W36 WeakPolarHBondContact OD1-CB 3.28Å; D34-W36 PolarHBondContact OD1-N 3.28Å; D34-A37 HydrophobicContact CB-CB 4.25Å; D34-A37 PolarHBondContact OD1-N 2.72Å
35P94.5Very high94.5Very high109 Ų10993.5 Ų93.571%0.70846%0.459SS*.THydrogen-bonded Turntrans-71.2-17.4177.429.8-33.8000113.1K33K33-P35 WeakPolarHBondContact O-CD 3.31Å
36W94Very high94Very high166 Ų16694 Ų9463%0.62947%0.472SS*.THydrogen-bonded Turntrans-97.6-0.4-177.5-62.7101.7000113.5D34 R38 N39 Y40D34-W36 PolarHBondContact O-N 2.89Å; D34-W36 WeakPolarHBondContact OD1-CA 3.34Å; D34-W36 WeakPolarHBondContact OD1-CB 3.28Å; D34-W36 PolarHBondContact OD1-N 3.28Å; W36-R38 PolarHBondContact O-N 3.45Å; W36-R38 VanDerWaalsContact O-N 3.12Å; W36-N39 HydrophobicContact CE3-CB 4.13Å; W36-N39 WeakPolarHBondContact O-CA 3.35Å; W36-N39 WeakPolarHBondContact O-CB 3.48Å; W36-N39 PolarHBondContact O-N 2.95Å; W36-Y40 HydrophobicContact CB-CE2 4.22Å; W36-Y40 WeakPolarHBondContact O-CD2 3.41Å
37A93.2Very high93.5Very high3 Ų397.4 Ų97.43%0.02549%0.486CS..G310 helixtrans-50.9-45-17700000112.2L15 L20 V24 D34 N39 Y40L15-A37 HydrophobicContact CD2-CB 3.59Å; L20-A37 HydrophobicContact CD1-CB 4.08Å; L20-A37 WeakPolarHBondContact CD1-O 3.19Å; L20-A37 WeakPolarHBondContact CD2-O 3.49Å; V24-A37 HydrophobicContact CG2-CB 3.85Å; D34-A37 HydrophobicContact CB-CB 4.25Å; D34-A37 PolarHBondContact OD1-N 2.72Å; A37-N39 VanDerWaalsContact C-N 3.29Å; A37-N39 PolarHBondContact O-N 3.2Å; A37-Y40 PolarHBondContact O-N 3.24Å; A37-Y40 VanDerWaalsContact O-N 3.13Å
38R93Very high93.1Very high130 Ų130100 Ų10049%0.49150%0.5SS..G310 helixtrans-64-29.4177.5179.716944.4177.5-5.7114.1Y13 W36 Y40 A41Y13-R38 WeakPolarHBondContact O-CD 3.29Å; Y13-R38 WeakPolarHBondContact O-CG 3.45Å; W36-R38 PolarHBondContact O-N 3.45Å; W36-R38 VanDerWaalsContact O-N 3.12Å; R38-Y40 PolarHBondContact O-N 3.09Å; R38-A41 VanDerWaalsContact O-CB 3.25Å; R38-A41 WeakPolarHBondContact O-CB 3.38Å; R38-A41 PolarHBondContact O-N 2.99Å
39N93.9Very high92.8Very high88 Ų88102 Ų10247%0.47150%0.495SS..G310 helixtrans-61.1-25.4176.5-174.657.8000111.9W36 A37 W42W36-N39 HydrophobicContact CE3-CB 4.13Å; W36-N39 WeakPolarHBondContact O-CA 3.35Å; W36-N39 WeakPolarHBondContact O-CB 3.48Å; W36-N39 PolarHBondContact O-N 2.95Å; A37-N39 VanDerWaalsContact C-N 3.29Å; A37-N39 PolarHBondContact O-N 3.2Å; N39-W42 PolarHBondContact O-NE1 2.99Å
40Y93.5Very high92.3Very high112 Ų11298 Ų9844%0.43948%0.477SS..G310 helixtrans-93-4.3178.7-61.7-69.1000113.7W36 A37 R38 W42 Q43W36-Y40 HydrophobicContact CB-CE2 4.22Å; W36-Y40 WeakPolarHBondContact O-CD2 3.41Å; A37-Y40 PolarHBondContact O-N 3.24Å; A37-Y40 VanDerWaalsContact O-N 3.13Å; R38-Y40 PolarHBondContact O-N 3.09Å; Y40-W42 PolarHBondContact O-N 3.42Å; Y40-Q43 WeakPolarHBondContact O-CB 3.4Å; Y40-Q43 PolarHBondContact O-N 3.44Å; Y40-Q43 VanDerWaalsContact O-N 3.09Å
41A93.7Very high91.9Very high4 Ų494.4 Ų94.43%0.03346%0.461CS..G310 helixtrans-61.3-29.4-177.500000113.1T14 L20 R38 Q43 Y44T14-A41 VanDerWaalsContact O-CB 3.3Å; T14-A41 WeakPolarHBondContact O-CB 3.32Å; L20-A41 HydrophobicContact CD2-CB 3.85Å; R38-A41 VanDerWaalsContact O-CB 3.25Å; R38-A41 WeakPolarHBondContact O-CB 3.38Å; R38-A41 PolarHBondContact O-N 2.99Å; A41-Q43 PolarHBondContact O-N 2.92Å; A41-Y44 PolarHBondContact O-N 3.43Å; A41-Y44 VanDerWaalsContact O-N 3.09Å
42W91.4Very high91.5Very high115 Ų115101.8 Ų101.844%0.43647%0.466SS..G310 helixtrans-60.5-30177.771-97.1000112.7Y13 N39 Y40 Y44 L45 I48Y13-W42 HydrophobicContact CD1-CB 3.74Å; Y13-W42 HydrophobicContact CE1-CB 3.34Å; N39-W42 PolarHBondContact O-NE1 2.99Å; Y40-W42 PolarHBondContact O-N 3.42Å; W42-Y44 PolarHBondContact O-N 3.48Å; W42-L45 WeakPolarHBondContact O-CG 3.49Å; W42-L45 PolarHBondContact O-N 2.97Å; W42-I48 HydrophobicContact CE3-CD1 3.75Å; W42-I48 HydrophobicContact CZ3-CD1 4.15Å
43Q92.4Very high91.2Very high77 Ų77100.6 Ų100.636%0.3647%0.465SS..G310 helixtrans-65.5-27.4179.7-62.5-172.423.700112Y40 A41 Y49Y40-Q43 WeakPolarHBondContact O-CB 3.4Å; Y40-Q43 PolarHBondContact O-N 3.44Å; Y40-Q43 VanDerWaalsContact O-N 3.09Å; A41-Q43 PolarHBondContact O-N 2.92Å; Q43-Y49 WeakPolarHBondContact O-CB 3.48Å
44Y92.4Very high91.1Very high66 Ų6695.7 Ų95.726%0.25945%0.445SS..G310 helixtrans-977.8-176.7-60-71.8000114P17 P19 L20 A41 W42 Y49P17-Y44 VanDerWaalsContact CB-CB 3.44Å; P17-Y44 HydrophobicContact CB-CD2 4.24Å; P17-Y44 HydrophobicContact CB-CG 3.9Å; P17-Y44 HydrophobicContact CG-CG 4.37Å; P19-Y44 HydrophobicContact CB-CD1 4.2Å; P19-Y44 HydrophobicContact CB-CE1 3.57Å; P19-Y44 HydrophobicContact CG-CD1 3.91Å; P19-Y44 HydrophobicContact CG-CE1 3.68Å; L20-Y44 HydrophobicContact CB-CD2 4.43Å; L20-Y44 HydrophobicContact CB-CE2 4.37Å; A41-Y44 PolarHBondContact O-N 3.43Å; A41-Y44 VanDerWaalsContact O-N 3.09Å; W42-Y44 PolarHBondContact O-N 3.48Å; Y44-Y49 AromaticContact CD1-CD2 3.76Å; Y44-Y49 HydrophobicContact CD1-CD2 3.76Å; Y44-Y49 AromaticContact CD1-CE2 3.94Å; Y44-Y49 HydrophobicContact CD1-CE2 3.94Å; Y44-Y49 HydrophobicContact CD1-CG 4.07Å; Y44-Y49 HydrophobicContact CE1-CD2 4.18Å; Y44-Y49 HydrophobicContact CE1-CE2 4Å
45L88.4Confident90.9Very high54 Ų5498.4 Ų98.428%0.28346%0.459SS..SBendtrans-61.3140.7173.2-74.7176.2000110.3Y13 W42 K47 I48 Y49Y13-L45 HydrophobicContact CD1-CD1 4.45Å; Y13-L45 HydrophobicContact CE1-CD1 3.7Å; Y13-L45 HydrophobicContact CE1-CG 4.39Å; W42-L45 WeakPolarHBondContact O-CG 3.49Å; W42-L45 PolarHBondContact O-N 2.97Å; L45-K47 PolarHBondContact O-N 3.48Å; L45-I48 PolarHBondContact O-N 3.24Å; L45-Y49 PolarHBondContact O-N 3.08Å
46P85.5Confident90.8Very high122 Ų12298.4 Ų98.479%0.79245%0.448SS*.THydrogen-bonded Turntrans-55.6-22.3-179.2-27.434.2000115.1
47K85.9Confident90.8Very high192 Ų19298.4 Ų98.484%0.83545%0.448SS*.THydrogen-bonded Turntrans-74.8-28.7176.4-174.1175.2179.8-179.90113.1L45L45-K47 PolarHBondContact O-N 3.48Å
48I87.9Confident90.6Very high90 Ų90102.9 Ų102.946%0.46247%0.468SS..THydrogen-bonded Turntrans-106.8-52.5-172.6-61.3176000109.4W42 L45W42-I48 HydrophobicContact CE3-CD1 3.75Å; W42-I48 HydrophobicContact CZ3-CD1 4.15Å; L45-I48 PolarHBondContact O-N 3.24Å
49Y89.6Confident90.5Very high103 Ų103101 Ų10140%0.40447%0.471SS..  trans-80.7123.7178.7-170.8-104.3000111.2Q43 Y44 L45 T51Q43-Y49 WeakPolarHBondContact O-CB 3.48Å; Y44-Y49 AromaticContact CD1-CD2 3.76Å; Y44-Y49 HydrophobicContact CD1-CD2 3.76Å; Y44-Y49 AromaticContact CD1-CE2 3.94Å; Y44-Y49 HydrophobicContact CD1-CE2 3.94Å; Y44-Y49 HydrophobicContact CD1-CG 4.07Å; Y44-Y49 HydrophobicContact CE1-CD2 4.18Å; Y44-Y49 HydrophobicContact CE1-CE2 4Å; L45-Y49 PolarHBondContact O-N 3.08Å; Y49-T51 HydrophobicContact CE1-CG2 4.3Å
50K88.5Confident90.3Very high88 Ų88101.7 Ų101.738%0.38347%0.474SS..  trans-115.1130.1172.5-62.6-178.5-177.7178.90108.3Q54 E58K50-Q54 HydrophobicContact CB-CB 4.33Å; K50-E58 WeakPolarHBondContact CD-OE2 3.13Å; K50-E58 VanDerWaalsContact CE-OE2 3.28Å; K50-E58 WeakPolarHBondContact CE-OE2 3.22Å; K50-E58 IonicContact NZ-OE1 2.69Å; K50-E58 IonicContact NZ-OE2 3.57Å; K50-E58 PolarHBondContact NZ-OE2 3.2Å
51T89Confident90.3Very high54 Ų54100 Ų10033%0.33147%0.472SS..  trans-63.2150.8170.560.70000109.5Y49 P53 Q54 L55Y49-T51 HydrophobicContact CE1-CG2 4.3Å; T51-P53 VanDerWaalsContact C-CD 3.47Å; T51-P53 VanDerWaalsContact C-N 3.32Å; T51-Q54 WeakPolarHBondContact O-CA 3.28Å; T51-Q54 WeakPolarHBondContact O-CB 3.44Å; T51-Q54 PolarHBondContact O-N 3.2Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.15Å; T51-Q54 PolarHBondContact OG1-OE1 3.19Å; T51-L55 PolarHBondContact O-N 3.33Å
52R88.7Confident90.2Very high228 Ų228102.1 Ų102.186%0.8649%0.49SS*.Hα-helixtrans-46.2-46.8176.1-68-174.5176.3-176.2-1.3114Q54 L55 F56R52-Q54 PolarHBondContact O-N 2.93Å; R52-L55 PolarHBondContact O-N 2.6Å; R52-F56 WeakPolarHBondContact O-CB 3.45Å; R52-F56 PolarHBondContact O-N 2.92Å
53P90.7Very high90.2Very high78 Ų78103.8 Ų103.851%0.50650%0.5SS..Hα-helixtrans-66.3-34.7176.924.7-35.3000113.5T51 F56 R57T51-P53 VanDerWaalsContact C-CD 3.47Å; T51-P53 VanDerWaalsContact C-N 3.32Å; P53-F56 PolarHBondContact O-N 2.88Å; P53-R57 VanDerWaalsContact O-CG 3.28Å; P53-R57 WeakPolarHBondContact O-CG 3.47Å; P53-R57 PolarHBondContact O-N 2.93Å
54Q91.5Very high90.2Very high92 Ų92104.4 Ų104.443%0.4351%0.506SS..Hα-helixtrans-63.8-46173.8-74.7166.2-30.700110.7K50 T51 R52 F56 R57 E58K50-Q54 HydrophobicContact CB-CB 4.33Å; T51-Q54 WeakPolarHBondContact O-CA 3.28Å; T51-Q54 WeakPolarHBondContact O-CB 3.44Å; T51-Q54 PolarHBondContact O-N 3.2Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.15Å; T51-Q54 PolarHBondContact OG1-OE1 3.19Å; R52-Q54 PolarHBondContact O-N 2.93Å; Q54-F56 PolarHBondContact O-N 3.34Å; Q54-R57 PolarHBondContact O-N 3.01Å; Q54-E58 WeakPolarHBondContact O-CB 3.25Å; Q54-E58 WeakPolarHBondContact O-CG 3.3Å; Q54-E58 PolarHBondContact O-N 3.28Å
55L91.6Very high90.3Very high95 Ų95104.9 Ų104.950%0.49752%0.517SS..Hα-helixtrans-62.3-42.4177.5-171.2141.7000111.8T51 R52 R57 E58 V59T51-L55 PolarHBondContact O-N 3.33Å; R52-L55 PolarHBondContact O-N 2.6Å; L55-R57 PolarHBondContact O-N 3.23Å; L55-E58 PolarHBondContact O-N 3.31Å; L55-V59 HydrophobicContact CD2-CG2 4.11Å; L55-V59 HydrophobicContact CG-CG2 4.15Å; L55-V59 WeakPolarHBondContact O-CB 3.11Å; L55-V59 VanDerWaalsContact O-CG2 3.31Å; L55-V59 WeakPolarHBondContact O-CG2 3.28Å; L55-V59 PolarHBondContact O-N 2.83Å
56F93Very high90.5Very high110 Ų110108.5 Ų108.548%0.48253%0.532SS..Hα-helixtrans-57.8-46.6174.5-179.4-87.6000111.9R52 P53 Q54 L60 L61R52-F56 WeakPolarHBondContact O-CB 3.45Å; R52-F56 PolarHBondContact O-N 2.92Å; P53-F56 PolarHBondContact O-N 2.88Å; Q54-F56 PolarHBondContact O-N 3.34Å; F56-L60 HydrophobicContact CD2-CD1 3.46Å; F56-L60 VanDerWaalsContact CD2-CD1 3.46Å; F56-L60 HydrophobicContact CE2-CD1 3.25Å; F56-L60 HydrophobicContact CE2-CG 4.47Å; F56-L60 HydrophobicContact CG-CD1 4.31Å; F56-L60 HydrophobicContact CZ-CD1 3.96Å; F56-L60 WeakPolarHBondContact O-CB 3.41Å; F56-L60 PolarHBondContact O-N 2.94Å; F56-L61 HydrophobicContact CD1-CG 4.39Å; F56-L61 HydrophobicContact CE1-CD1 4.31Å; F56-L61 HydrophobicContact CE1-CD2 4.22Å; F56-L61 HydrophobicContact CE1-CG 4.09Å; F56-L61 PolarHBondContact O-N 3.34Å
57R92.9Very high91Very high165 Ų165104.8 Ų104.862%0.62352%0.516SS*.Iπ-helixtrans-63.4-44.5178.1-71.4176.6176.3171.50.5111.9P53 Q54 L55 L61 A62P53-R57 VanDerWaalsContact O-CG 3.28Å; P53-R57 WeakPolarHBondContact O-CG 3.47Å; P53-R57 PolarHBondContact O-N 2.93Å; Q54-R57 PolarHBondContact O-N 3.01Å; L55-R57 PolarHBondContact O-N 3.23Å; R57-L61 HydrophobicContact CB-CD1 4.45Å; R57-L61 HydrophobicContact CG-CD1 3.97Å; R57-L61 CarbonylContact O-C 3.56Å; R57-L61 WeakPolarHBondContact O-CA 3.33Å; R57-L61 WeakPolarHBondContact O-CB 3.39Å; R57-L61 PolarHBondContact O-N 3.47Å; R57-A62 PolarHBondContact O-N 3.23Å
58E90.3Very high91.5Very high97 Ų97100.1 Ų100.145%0.45350%0.499SS..Iπ-helixtrans-74.1-31.3-177.3-72.1-179.2-173.100114K50 Q54 L55 A62K50-E58 WeakPolarHBondContact CD-OE2 3.13Å; K50-E58 VanDerWaalsContact CE-OE2 3.28Å; K50-E58 WeakPolarHBondContact CE-OE2 3.22Å; K50-E58 IonicContact NZ-OE1 2.69Å; K50-E58 IonicContact NZ-OE2 3.57Å; K50-E58 PolarHBondContact NZ-OE2 3.2Å; Q54-E58 WeakPolarHBondContact O-CB 3.25Å; Q54-E58 WeakPolarHBondContact O-CG 3.3Å; Q54-E58 PolarHBondContact O-N 3.28Å; L55-E58 PolarHBondContact O-N 3.31Å; E58-A62 WeakPolarHBondContact O-CB 3.42Å
59V90.4Very high91.9Very high91 Ų9198.7 Ų98.755%0.55250%0.501SS*.Iπ-helixtrans-87.8-54.1-179.5175.80000110.7L55L55-V59 HydrophobicContact CD2-CG2 4.11Å; L55-V59 HydrophobicContact CG-CG2 4.15Å; L55-V59 WeakPolarHBondContact O-CB 3.11Å; L55-V59 VanDerWaalsContact O-CG2 3.31Å; L55-V59 WeakPolarHBondContact O-CG2 3.28Å; L55-V59 PolarHBondContact O-N 2.83Å
60L89Confident92.3Very high102 Ų10299.3 Ų99.353%0.53451%0.51SS..Iπ-helixtrans-88.6-48.4-171.2-66172000112F56F56-L60 HydrophobicContact CD2-CD1 3.46Å; F56-L60 VanDerWaalsContact CD2-CD1 3.46Å; F56-L60 HydrophobicContact CE2-CD1 3.25Å; F56-L60 HydrophobicContact CE2-CG 4.47Å; F56-L60 HydrophobicContact CG-CD1 4.31Å; F56-L60 HydrophobicContact CZ-CD1 3.96Å; F56-L60 WeakPolarHBondContact O-CB 3.41Å; F56-L60 PolarHBondContact O-N 2.94Å
61L94Very high92.7Very high77 Ų7796.8 Ų96.840%0.40351%0.509SS..Iπ-helixtrans-77.1-26.2-175.8-57-176.3000113.1F56 R57 K63 L64 P65F56-L61 HydrophobicContact CD1-CG 4.39Å; F56-L61 HydrophobicContact CE1-CD1 4.31Å; F56-L61 HydrophobicContact CE1-CD2 4.22Å; F56-L61 HydrophobicContact CE1-CG 4.09Å; F56-L61 PolarHBondContact O-N 3.34Å; R57-L61 HydrophobicContact CB-CD1 4.45Å; R57-L61 HydrophobicContact CG-CD1 3.97Å; R57-L61 CarbonylContact O-C 3.56Å; R57-L61 WeakPolarHBondContact O-CA 3.33Å; R57-L61 WeakPolarHBondContact O-CB 3.39Å; R57-L61 PolarHBondContact O-N 3.47Å; L61-K63 PolarHBondContact O-N 3.45Å; L61-L64 HydrophobicContact CD2-CD2 3.92Å; L61-L64 WeakPolarHBondContact O-CB 3.46Å; L61-L64 PolarHBondContact O-N 2.92Å; L61-P65 WeakPolarHBondContact O-CD 3.38Å
62A91.4Very high93.2Very high49 Ų4998.8 Ų98.841%0.40552%0.517SS..THydrogen-bonded Turntrans-61.1-29.9-179.500000113.5R57 E58R57-A62 PolarHBondContact O-N 3.23Å; E58-A62 WeakPolarHBondContact O-CB 3.42Å
63K90.6Very high93.6Very high150 Ų15090.1 Ų90.165%0.65249%0.494SS*.THydrogen-bonded Turntrans-100.9-11.4-179.8-60.2-58.5-175.1-178.60113.6L61 H66 G67L61-K63 PolarHBondContact O-N 3.45Å; K63-H66 PolarHBondContact O-N 3.04Å; K63-G67 PolarHBondContact O-N 3.24Å; K63-G67 VanDerWaalsContact O-N 3.08Å
64L94.2Very high94Very high90 Ų9089.5 Ų89.547%0.47149%0.489SS..Hα-helixtrans-52-47.6177.9-171.965000114.4L61 H66 G67 I68L61-L64 HydrophobicContact CD2-CD2 3.92Å; L61-L64 WeakPolarHBondContact O-CB 3.46Å; L61-L64 PolarHBondContact O-N 2.92Å; L64-H66 VanDerWaalsContact C-N 3.3Å; L64-H66 PolarHBondContact O-N 2.86Å; L64-G67 PolarHBondContact O-N 3.18Å; L64-I68 HydrophobicContact CD1-CD1 4.29Å; L64-I68 HydrophobicContact CD1-CG1 4.44Å; L64-I68 HydrophobicContact CG-CD1 3.93Å; L64-I68 HydrophobicContact CG-CG1 4.47Å; L64-I68 WeakPolarHBondContact O-CG1 3.4Å; L64-I68 PolarHBondContact O-N 3.26Å
65P93.3Very high94.3Very high76 Ų7688.1 Ų88.149%0.49449%0.49SS..Hα-helixtrans-65.5-33.3-178.424.3-33.8000112.9L61 I68 A69L61-P65 WeakPolarHBondContact O-CD 3.38Å; P65-I68 PolarHBondContact O-N 3.48Å; P65-A69 WeakPolarHBondContact O-CB 3.49Å; P65-A69 PolarHBondContact O-N 3.45Å
66H93.3Very high94.5Very high129 Ų12987.6 Ų87.660%0.59749%0.486SS*.Hα-helixtrans-67.9-41.9175.8-62.279.9000110.9K63 L64 A69 L70K63-H66 PolarHBondContact O-N 3.04Å; L64-H66 VanDerWaalsContact C-N 3.3Å; L64-H66 PolarHBondContact O-N 2.86Å; H66-A69 PolarHBondContact O-N 2.94Å; H66-L70 WeakPolarHBondContact O-CB 3.41Å; H66-L70 PolarHBondContact O-N 2.83Å
67G94.4Very high94.7Very high45 Ų4587.5 Ų87.546%0.46449%0.49SS..Hα-helixtrans-62.6-42.417500000112.7K63 L64 L70 G71K63-G67 PolarHBondContact O-N 3.24Å; K63-G67 VanDerWaalsContact O-N 3.08Å; L64-G67 PolarHBondContact O-N 3.18Å; G67-L70 PolarHBondContact O-N 3.19Å; G67-G71 PolarHBondContact O-N 3.19Å
68I97Very high94.9Very high93 Ų9384.6 Ų84.648%0.47749%0.486SS..Hα-helixtrans-63.1-47.5175.9-67.8169.2000110.7L64 P65 L70 G71 I72L64-I68 HydrophobicContact CD1-CD1 4.29Å; L64-I68 HydrophobicContact CD1-CG1 4.44Å; L64-I68 HydrophobicContact CG-CD1 3.93Å; L64-I68 HydrophobicContact CG-CG1 4.47Å; L64-I68 WeakPolarHBondContact O-CG1 3.4Å; L64-I68 PolarHBondContact O-N 3.26Å; P65-I68 PolarHBondContact O-N 3.48Å; I68-L70 VanDerWaalsContact C-N 3.35Å; I68-L70 PolarHBondContact O-N 3.18Å; I68-G71 PolarHBondContact O-N 3.09Å; I68-I72 HydrophobicContact CG2-CD1 3.8Å; I68-I72 HydrophobicContact CG2-CG1 4.42Å; I68-I72 WeakPolarHBondContact O-CG1 3.42Å; I68-I72 PolarHBondContact O-N 3.22Å
69A96.8Very high95.2Very high60 Ų6085 Ų8550%0.49649%0.491SS..Hα-helixtrans-60.1-44.3179.200000112P65 H66 I72 A73P65-A69 WeakPolarHBondContact O-CB 3.49Å; P65-A69 PolarHBondContact O-N 3.45Å; H66-A69 PolarHBondContact O-N 2.94Å; A69-I72 PolarHBondContact O-N 3.19Å; A69-A73 WeakPolarHBondContact O-CB 3.31Å; A69-A73 PolarHBondContact O-N 3.07Å
70L97.7Very high95.4Very high116 Ų11686.2 Ų86.261%0.60749%0.491SS*.Hα-helixtrans-63-44.4175.4-177.165000111.5H66 G67 I68 I72 A73 V74H66-L70 WeakPolarHBondContact O-CB 3.41Å; H66-L70 PolarHBondContact O-N 2.83Å; G67-L70 PolarHBondContact O-N 3.19Å; I68-L70 VanDerWaalsContact C-N 3.35Å; I68-L70 PolarHBondContact O-N 3.18Å; L70-I72 PolarHBondContact O-N 3.25Å; L70-A73 PolarHBondContact O-N 3.13Å; L70-V74 HydrophobicContact CD1-CG2 4.25Å; L70-V74 HydrophobicContact CG-CG2 4.4Å; L70-V74 WeakPolarHBondContact O-CB 3.07Å; L70-V74 VanDerWaalsContact O-CG2 3.29Å; L70-V74 WeakPolarHBondContact O-CG2 3.38Å; L70-V74 PolarHBondContact O-N 2.95Å
71G97.7Very high95.7Very high35 Ų3587 Ų8736%0.36149%0.49SS..Hα-helixtrans-60.2-42.4177.800000112.8G67 I68 S75G67-G71 PolarHBondContact O-N 3.19Å; I68-G71 PolarHBondContact O-N 3.09Å; G71-S75 WeakPolarHBondContact O-CB 3.5Å; G71-S75 PolarHBondContact O-N 3.31Å; G71-S75 PolarHBondContact O-OG 3.37Å
72I98.2Very high95.7Very high96 Ų9686.6 Ų86.649%0.49249%0.488SS..Hα-helixtrans-64.2-48.2174.9-66.9168.1000110.4I68 A69 L70 V74 S75 I76I68-I72 HydrophobicContact CG2-CD1 3.8Å; I68-I72 HydrophobicContact CG2-CG1 4.42Å; I68-I72 WeakPolarHBondContact O-CG1 3.42Å; I68-I72 PolarHBondContact O-N 3.22Å; A69-I72 PolarHBondContact O-N 3.19Å; L70-I72 PolarHBondContact O-N 3.25Å; I72-V74 PolarHBondContact O-N 3.49Å; I72-S75 PolarHBondContact O-N 3.17Å; I72-I76 HydrophobicContact CG2-CD1 3.86Å; I72-I76 HydrophobicContact CG2-CG1 4.49Å; I72-I76 WeakPolarHBondContact O-CG1 3.34Å; I72-I76 PolarHBondContact O-N 2.6Å
73A97.9Very high95.7Very high46 Ų4693.4 Ų93.438%0.3850%0.504SS..Hα-helixtrans-59-46.7179.600000111.8A69 L70 S75 I76 L77A69-A73 WeakPolarHBondContact O-CB 3.31Å; A69-A73 PolarHBondContact O-N 3.07Å; L70-A73 PolarHBondContact O-N 3.13Å; A73-S75 PolarHBondContact O-N 3.09Å; A73-I76 PolarHBondContact O-N 3.3Å; A73-L77 VanDerWaalsContact O-CG 3.32Å; A73-L77 WeakPolarHBondContact O-CG 3.4Å; A73-L77 PolarHBondContact O-N 3.36Å
74V98Very high95.7Very high65 Ų6595 Ų9539%0.39451%0.506SS..Hα-helixtrans-62-42.9176.3170.50000111.1L70 I72 I76 L77 I78L70-V74 HydrophobicContact CD1-CG2 4.25Å; L70-V74 HydrophobicContact CG-CG2 4.4Å; L70-V74 WeakPolarHBondContact O-CB 3.07Å; L70-V74 VanDerWaalsContact O-CG2 3.29Å; L70-V74 WeakPolarHBondContact O-CG2 3.38Å; L70-V74 PolarHBondContact O-N 2.95Å; I72-V74 PolarHBondContact O-N 3.49Å; V74-I76 VanDerWaalsContact C-N 3.33Å; V74-I76 PolarHBondContact O-N 2.83Å; V74-L77 PolarHBondContact O-N 3.12Å; V74-I78 HydrophobicContact CG1-CD1 3.61Å; V74-I78 HydrophobicContact CG1-CG1 4.23Å; V74-I78 VanDerWaalsContact O-CG1 3.3Å; V74-I78 WeakPolarHBondContact O-CG1 3.33Å; V74-I78 PolarHBondContact O-N 3.21Å
75S97.7Very high95.6Very high64 Ų6494.8 Ų94.845%0.44851%0.505SS..Hα-helixtrans-61-41.9178.2-59.90000111.9G71 I72 A73 N79G71-S75 WeakPolarHBondContact O-CB 3.5Å; G71-S75 PolarHBondContact O-N 3.31Å; G71-S75 PolarHBondContact O-OG 3.37Å; I72-S75 PolarHBondContact O-N 3.17Å; A73-S75 PolarHBondContact O-N 3.09Å; S75-N79 WeakPolarHBondContact O-CB 3.44Å; S75-N79 VanDerWaalsContact O-CG 3.23Å; S75-N79 PolarHBondContact O-N 3.22Å; S75-N79 PolarHBondContact O-ND2 3.25Å
76I97.6Very high95.4Very high83 Ų8397.4 Ų97.443%0.42651%0.508SS..Hα-helixtrans-64.5-45.8176.2-66.8168000110.5I72 A73 V74 N79 Q80I72-I76 HydrophobicContact CG2-CD1 3.86Å; I72-I76 HydrophobicContact CG2-CG1 4.49Å; I72-I76 WeakPolarHBondContact O-CG1 3.34Å; I72-I76 PolarHBondContact O-N 2.6Å; A73-I76 PolarHBondContact O-N 3.3Å; V74-I76 VanDerWaalsContact C-N 3.33Å; V74-I76 PolarHBondContact O-N 2.83Å; I76-N79 PolarHBondContact O-N 3.06Å; I76-Q80 HydrophobicContact CG2-CG 4.33Å; I76-Q80 WeakPolarHBondContact O-CB 3.42Å; I76-Q80 VanDerWaalsContact O-CG 3.31Å; I76-Q80 WeakPolarHBondContact O-CG 3.48Å; I76-Q80 PolarHBondContact O-N 3.06Å
77L97.1Very high94.9Very high109 Ų10992.9 Ų92.957%0.57150%0.496SS*.Hα-helixtrans-61.5-45.2179.1-71.8171000112.1A73 V74 Q80 F81A73-L77 VanDerWaalsContact O-CG 3.32Å; A73-L77 WeakPolarHBondContact O-CG 3.4Å; A73-L77 PolarHBondContact O-N 3.36Å; V74-L77 PolarHBondContact O-N 3.12Å; L77-Q80 PolarHBondContact O-N 3.38Å; L77-F81 VanDerWaalsContact O-CB 3.29Å; L77-F81 WeakPolarHBondContact O-CB 3.35Å; L77-F81 PolarHBondContact O-N 2.83Å
78I96.7Very high93.9Very high104 Ų10492.7 Ų92.753%0.53349%0.494SS..Hα-helixtrans-61-47.2176.9-68.7169.1000110.2V74 Q80 F81 D82V74-I78 HydrophobicContact CG1-CD1 3.61Å; V74-I78 HydrophobicContact CG1-CG1 4.23Å; V74-I78 VanDerWaalsContact O-CG1 3.3Å; V74-I78 WeakPolarHBondContact O-CG1 3.33Å; V74-I78 PolarHBondContact O-N 3.21Å; I78-Q80 VanDerWaalsContact C-N 3.32Å; I78-Q80 PolarHBondContact O-N 3.15Å; I78-F81 PolarHBondContact O-N 3.14Å; I78-D82 WeakPolarHBondContact O-CB 3.39Å; I78-D82 PolarHBondContact O-N 3.01Å
79N96.1Very high92.3Very high104 Ų10491 Ų9156%0.55649%0.491SS*.Hα-helixtrans-62.7-38178.7-74.5-22.5000112.3S75 I76 R83S75-N79 WeakPolarHBondContact O-CB 3.44Å; S75-N79 VanDerWaalsContact O-CG 3.23Å; S75-N79 PolarHBondContact O-N 3.22Å; S75-N79 PolarHBondContact O-ND2 3.25Å; I76-N79 PolarHBondContact O-N 3.06Å; N79-R83 VanDerWaalsContact O-CG 3.29Å; N79-R83 WeakPolarHBondContact O-CG 3.4Å; N79-R83 PolarHBondContact O-N 3.16Å
80Q94.5Very high90.7Very high117 Ų11791.6 Ų91.655%0.54749%0.491SS..Hα-helixtrans-69.7-41.2176.1-74.2179.1-6.900112I76 L77 I78 R83 W84I76-Q80 HydrophobicContact CG2-CG 4.33Å; I76-Q80 WeakPolarHBondContact O-CB 3.42Å; I76-Q80 VanDerWaalsContact O-CG 3.31Å; I76-Q80 WeakPolarHBondContact O-CG 3.48Å; I76-Q80 PolarHBondContact O-N 3.06Å; L77-Q80 PolarHBondContact O-N 3.38Å; I78-Q80 VanDerWaalsContact C-N 3.32Å; I78-Q80 PolarHBondContact O-N 3.15Å; Q80-R83 PolarHBondContact O-N 3.2Å; Q80-W84 PolarHBondContact O-N 2.84Å
81F94.9Very high89Confident120 Ų12093.6 Ų93.653%0.52650%0.498SS..Hα-helixtrans-64.9-43.2178.3-176.5-106.9000112.1L77 I78 R83 W84 L85L77-F81 VanDerWaalsContact O-CB 3.29Å; L77-F81 WeakPolarHBondContact O-CB 3.35Å; L77-F81 PolarHBondContact O-N 2.83Å; I78-F81 PolarHBondContact O-N 3.14Å; F81-R83 VanDerWaalsContact C-N 3.35Å; F81-R83 PolarHBondContact O-N 3.32Å; F81-W84 HydrophobicContact CD2-CE3 4.18Å; F81-W84 HydrophobicContact CE2-CE3 4Å; F81-W84 HydrophobicContact CE2-CZ3 4.01Å; F81-W84 PolarHBondContact O-N 3.24Å; F81-L85 HydrophobicContact CD1-CD1 3.89Å; F81-L85 HydrophobicContact CD1-CG 4.45Å; F81-L85 HydrophobicContact CE1-CD1 3.38Å; F81-L85 HydrophobicContact CE1-CG 4.08Å; F81-L85 HydrophobicContact CZ-CD1 3.8Å; F81-L85 HydrophobicContact CZ-CD2 4.32Å; F81-L85 HydrophobicContact CZ-CG 4.11Å; F81-L85 PolarHBondContact O-N 3.38Å
82D93.7Very high87.3Confident67 Ų6795.9 Ų95.936%0.35851%0.513SS..Hα-helixtrans-63.3-40.3175.7-177.455.7000111.9I78 W84 L85 K86I78-D82 WeakPolarHBondContact O-CB 3.39Å; I78-D82 PolarHBondContact O-N 3.01Å; D82-W84 VanDerWaalsContact C-N 3.33Å; D82-W84 PolarHBondContact O-N 2.97Å; D82-L85 PolarHBondContact O-N 3.28Å; D82-K86 WeakPolarHBondContact O-CB 3.43Å; D82-K86 WeakPolarHBondContact O-CG 3.18Å; D82-K86 PolarHBondContact O-N 2.91Å; D82-K86 WeakPolarHBondContact OD1-CE 3.31Å; D82-K86 IonicContact OD1-NZ 3.14Å; D82-K86 VanDerWaalsContact OD2-CE 3.32Å; D82-K86 WeakPolarHBondContact OD2-CE 3.41Å; D82-K86 IonicContact OD2-NZ 3.25Å; D82-K86 PolarHBondContact OD2-NZ 3.37Å
83R92.1Very high85.4Confident193 Ų19399.6 Ų99.673%0.72853%0.526SS*.Hα-helixtrans-61.7-40.5173.3-75.5-179.367.2-172.6-0.3112.3N79 Q80 F81 G87N79-R83 VanDerWaalsContact O-CG 3.29Å; N79-R83 WeakPolarHBondContact O-CG 3.4Å; N79-R83 PolarHBondContact O-N 3.16Å; Q80-R83 PolarHBondContact O-N 3.2Å; F81-R83 VanDerWaalsContact C-N 3.35Å; F81-R83 PolarHBondContact O-N 3.32Å; R83-G87 PolarHBondContact O-N 3.06Å
84W90.5Very high83Confident182 Ų182108.6 Ų108.669%0.68956%0.56SS**Hα-helixtrans-66.2-45.1178178.474.8000112Q80 F81 D82 K86 G87 G88Q80-W84 PolarHBondContact O-N 2.84Å; F81-W84 HydrophobicContact CD2-CE3 4.18Å; F81-W84 HydrophobicContact CE2-CE3 4Å; F81-W84 HydrophobicContact CE2-CZ3 4.01Å; F81-W84 PolarHBondContact O-N 3.24Å; D82-W84 VanDerWaalsContact C-N 3.33Å; D82-W84 PolarHBondContact O-N 2.97Å; W84-K86 PolarHBondContact O-N 3.43Å; W84-G87 PolarHBondContact O-N 2.99Å; W84-G88 PolarHBondContact O-N 3.37Å; W84-G88 VanDerWaalsContact O-N 3.14Å
85L92.1Very high82.2Confident86 Ų86110.8 Ų110.845%0.4557%0.568SS.*Hα-helixtrans-61.6-41.6175.4-74.2178.1000112.5F81 D82 G88 S89F81-L85 HydrophobicContact CD1-CD1 3.89Å; F81-L85 HydrophobicContact CD1-CG 4.45Å; F81-L85 HydrophobicContact CE1-CD1 3.38Å; F81-L85 HydrophobicContact CE1-CG 4.08Å; F81-L85 HydrophobicContact CZ-CD1 3.8Å; F81-L85 HydrophobicContact CZ-CD2 4.32Å; F81-L85 HydrophobicContact CZ-CG 4.11Å; F81-L85 PolarHBondContact O-N 3.38Å; D82-L85 PolarHBondContact O-N 3.28Å; L85-G88 PolarHBondContact O-N 3.45Å; L85-S89 PolarHBondContact O-N 3.32Å; L85-S89 VanDerWaalsContact O-N 3.16Å
86K89Confident81.4Confident131 Ų131113.3 Ų113.357%0.5757%0.574SS**Hα-helixtrans-66.9-36.6177.4-75.4172.3179164.70112.7D82 W84 S89 S90D82-K86 WeakPolarHBondContact O-CB 3.43Å; D82-K86 WeakPolarHBondContact O-CG 3.18Å; D82-K86 PolarHBondContact O-N 2.91Å; D82-K86 WeakPolarHBondContact OD1-CE 3.31Å; D82-K86 IonicContact OD1-NZ 3.14Å; D82-K86 VanDerWaalsContact OD2-CE 3.32Å; D82-K86 WeakPolarHBondContact OD2-CE 3.41Å; D82-K86 IonicContact OD2-NZ 3.25Å; D82-K86 PolarHBondContact OD2-NZ 3.37Å; W84-K86 PolarHBondContact O-N 3.43Å; K86-S89 PolarHBondContact O-N 2.91Å; K86-S90 PolarHBondContact O-N 2.92Å
87G84Confident80.5Confident34 Ų34114.9 Ų114.935%0.35158%0.583SS.*Hα-helixtrans-62.6-45.2174.800000112.7R83 W84 S89 S90 E91R83-G87 PolarHBondContact O-N 3.06Å; W84-G87 PolarHBondContact O-N 2.99Å; G87-S89 VanDerWaalsContact C-N 3.31Å; G87-S89 PolarHBondContact O-N 3.27Å; G87-S90 PolarHBondContact O-N 3.46Å; G87-S90 PolarHBondContact O-OG 3.24Å; G87-S90 VanDerWaalsContact O-OG 3.09Å; G87-E91 PolarHBondContact O-N 3Å
88G73.6Confident79.5Confident41 Ų41115.3 Ų115.342%0.42358%0.583SS.*Hα-helixtrans-65-32.8176.200000113.5W84 L85 A92W84-G88 PolarHBondContact O-N 3.37Å; W84-G88 VanDerWaalsContact O-N 3.14Å; L85-G88 PolarHBondContact O-N 3.45Å; G88-A92 PolarHBondContact O-N 2.85Å
89S63.2Low78.4Confident59 Ų59116 Ų11641%0.41359%0.587SS.*Hα-helixtrans-73.8-23.2177.1-175.60000114L85 K86 G87 K93L85-S89 PolarHBondContact O-N 3.32Å; L85-S89 VanDerWaalsContact O-N 3.16Å; K86-S89 PolarHBondContact O-N 2.91Å; G87-S89 VanDerWaalsContact C-N 3.31Å; G87-S89 PolarHBondContact O-N 3.27Å; S89-K93 WeakPolarHBondContact O-CG 3.32Å
90S61.8Low77.3Confident71 Ų71116.8 Ų116.850%0.49759%0.589SS.*Hα-helixtrans-79.9-34.8175.169.80000112.1K86 G87 A92 K93K86-S90 PolarHBondContact O-N 2.92Å; G87-S90 PolarHBondContact O-N 3.46Å; G87-S90 PolarHBondContact O-OG 3.24Å; G87-S90 VanDerWaalsContact O-OG 3.09Å; S90-A92 VanDerWaalsContact C-N 3.35Å; S90-K93 PolarHBondContact O-N 3.46Å
91E61.7Low76Confident158 Ų158116.8 Ų116.874%0.73859%0.592SS**Hα-helixtrans-67.9-33.5175.3-70.6-177.1170.900112.2G87 K93G87-E91 PolarHBondContact O-N 3Å; E91-K93 PolarHBondContact O-N 3.04Å
92A62.1Low74.6Confident84 Ų84116.5 Ų116.569%0.69460%0.597SS**THydrogen-bonded Turntrans-74-6.5177.100000114.8G88 S90G88-A92 PolarHBondContact O-N 2.85Å; S90-A92 VanDerWaalsContact C-N 3.35Å
93K59.8Low73Confident173 Ų173120.7 Ų120.775%0.75262%0.616SS**THydrogen-bonded Turntrans-106.3-0.5-177.5-74.3-176179.3-177.70114.2S89 S90 E91S89-K93 WeakPolarHBondContact O-CG 3.32Å; S90-K93 PolarHBondContact O-N 3.46Å; E91-K93 PolarHBondContact O-N 3.04Å
94H45.9Very low71.3Confident236 Ų236114.1 Ų114.1100%1.09361%0.606SS**  trans-108.40172.3-90.3-71.5000110.5

Retrieved 94 of 94 residues in 64.1 ms (Link to these results)