A0A087WS45_MOUSE Loading...

Aldehyde dehydrogenase 3 family, member B3

AlphaFold DB , UniProt , Accession A0A087WS45, Species MOUSE (Mus musculus, Mouse), Gene Aldh3b3, Length 72 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.9Very low51.5Low241 Ų241160.2 Ų160.2100%1.18785%0.852SS**  0119.80-70.4-164.7148.600109.2
2S46.4Very low52.4Low129 Ų129161 Ų16190%0.90285%0.847SS**  trans-169.196.2161.4-92.20000109K4S2-K4 PolarHBondContact O-N 3.42Å
3T63Low53.7Low147 Ų147153.2 Ų153.290%0.90283%0.829SS**  trans-78.2104.7175.744.90000109G5T3-G5 PolarHBondContact O-N 3.27Å
4K52Low55.1Low212 Ų212147.6 Ų147.692%0.92280%0.803SS**  trans-87.197.3166.6-158.7133.2-174.5174.20108.1S2 K6S2-K4 PolarHBondContact O-N 3.42Å; K4-K6 PolarHBondContact O-N 3.5Å
5G45.1Very low57.3Low59 Ų59143.3 Ų143.361%0.60878%0.779SS**  trans-51.5125.3-179.900000111.6T3 H7T3-G5 PolarHBondContact O-N 3.27Å; G5-H7 VanDerWaalsContact C-N 3.26Å; G5-H7 PolarHBondContact O-N 2.91Å
6K52.1Low59.4Low209 Ų209140.5 Ų140.591%0.90977%0.77SS**  trans-71.887.5167-158.5172.3-171.1177.10106.2K4K4-K6 PolarHBondContact O-N 3.5Å
7H50.5Low61.4Low171 Ų171140.8 Ų140.879%0.79276%0.762SS**PPolyproline II helixtrans-60.6129.8171.9-97.3-82.1000108.6G5 R9G5-H7 VanDerWaalsContact C-N 3.26Å; G5-H7 PolarHBondContact O-N 2.91Å; H7-R9 PolarHBondContact O-N 3.22Å
8P48.6Very low63.3Low115 Ų115139.4 Ų139.475%0.74775%0.75SS**PPolyproline II helixtrans-60.2132174.620.3-25.3000108.6A10P8-A10 PolarHBondContact O-N 3.38Å
9R50.9Low64.9Low244 Ų244137.3 Ų137.392%0.92174%0.735SS**PPolyproline II helixtrans-56.6127.4175.6-74.4-178.6170.6-160.7-3.2107.8H7 D11H7-R9 PolarHBondContact O-N 3.22Å; R9-D11 PolarHBondContact O-N 2.72Å
10A51.8Low66.5Low78 Ų78137.3 Ų137.365%0.64573%0.728SS**PPolyproline II helixtrans-50129.7172.500000109.1P8 Q12P8-A10 PolarHBondContact O-N 3.38Å; A10-Q12 PolarHBondContact O-N 2.94Å
11D59Low67.9Low157 Ų157134 Ų13484%0.8471%0.71SS**  trans-41.1101.1167.9-175.923.8000109.9R9 G13R9-D11 PolarHBondContact O-N 2.72Å; D11-G13 VanDerWaalsContact C-N 3.34Å; D11-G13 PolarHBondContact O-N 2.92Å
12Q62.5Low70.3Confident170 Ų170127 Ų12779%0.79468%0.675SS**  trans-79.394.7169.4-65.1-71.7-34.100104.5A10 T14A10-Q12 PolarHBondContact O-N 2.94Å; Q12-T14 PolarHBondContact O-N 3.29Å
13G68.9Low72.7Confident59 Ų59129.8 Ų129.861%0.60867%0.666SS**  trans-45.9133.9169.900000109D11D11-G13 VanDerWaalsContact C-N 3.34Å; D11-G13 PolarHBondContact O-N 2.92Å
14T73.1Confident74.3Confident76 Ų76127.9 Ų127.947%0.46665%0.65SS.*  trans-59.9145.1-175.4-49.50000108.4Q12 E18 E19Q12-T14 PolarHBondContact O-N 3.29Å; T14-E18 HydrophobicContact CG2-CB 3.94Å; T14-E19 HydrophobicContact CG2-CG 4.03Å
15D89.1Confident76.5Confident82 Ų82122.8 Ų122.844%0.43963%0.627SS.*  trans-54.6131.4179.8171.594.2000109.9F17 E18 E19D15-F17 PolarHBondContact O-N 3.26Å; D15-F17 VanDerWaalsContact OD2-CA 3.32Å; D15-F17 WeakPolarHBondContact OD2-CA 3.49Å; D15-F17 WeakPolarHBondContact OD2-CB 2.88Å; D15-F17 PolarHBondContact OD2-N 2.99Å; D15-E18 HydrophobicContact CB-CB 4.14Å; D15-E18 HydrophobicContact CB-CG 3.92Å; D15-E18 WeakPolarHBondContact O-CA 3.37Å; D15-E18 WeakPolarHBondContact O-CB 3.12Å; D15-E18 PolarHBondContact O-N 2.93Å; D15-E18 PolarHBondContact OD2-N 3.28Å; D15-E18 VanDerWaalsContact OD2-N 3.1Å; D15-E19 PolarHBondContact O-N 3.43Å
16P90.9Very high79Confident99 Ų99124.9 Ų124.964%0.64362%0.621SS**Hα-helixtrans-58.6-26.8-174.3-27.134.4000114.1K20P16-K20 WeakPolarHBondContact O-CB 3.37Å; P16-K20 PolarHBondContact O-N 3.45Å; P16-K20 VanDerWaalsContact O-N 3.14Å
17F93.2Very high81.1Confident145 Ų145117.5 Ų117.564%0.63660%0.599SS**Hα-helixtrans-75.2-41.1174.2174.5-91000111.2D15 E19 K20 L21D15-F17 PolarHBondContact O-N 3.26Å; D15-F17 VanDerWaalsContact OD2-CA 3.32Å; D15-F17 WeakPolarHBondContact OD2-CA 3.49Å; D15-F17 WeakPolarHBondContact OD2-CB 2.88Å; D15-F17 PolarHBondContact OD2-N 2.99Å; F17-E19 VanDerWaalsContact C-N 3.34Å; F17-E19 PolarHBondContact O-N 3.22Å; F17-K20 PolarHBondContact O-N 3.44Å; F17-L21 HydrophobicContact CE1-CD2 4.45Å; F17-L21 WeakPolarHBondContact O-CB 3.27Å; F17-L21 PolarHBondContact O-N 3.38Å
18E94.6Very high83.3Confident116 Ų116115 Ų11554%0.54259%0.586SS.*Hα-helixtrans-58.8-44.2172.3-69.8-174.7166.800111.8T14 D15 K20 L21 Q22T14-E18 HydrophobicContact CG2-CB 3.94Å; D15-E18 HydrophobicContact CB-CB 4.14Å; D15-E18 HydrophobicContact CB-CG 3.92Å; D15-E18 WeakPolarHBondContact O-CA 3.37Å; D15-E18 WeakPolarHBondContact O-CB 3.12Å; D15-E18 PolarHBondContact O-N 2.93Å; D15-E18 PolarHBondContact OD2-N 3.28Å; D15-E18 VanDerWaalsContact OD2-N 3.1Å; E18-K20 PolarHBondContact O-N 3.3Å; E18-L21 PolarHBondContact O-N 3.35Å; E18-Q22 WeakPolarHBondContact O-CB 3.36Å; E18-Q22 PolarHBondContact O-N 3.25Å
19E94.4Very high85.7Confident99 Ų99115.5 Ų115.546%0.46358%0.582SS.*Hα-helixtrans-60.7-46175.9-67.9-173.8171.100111.9T14 D15 F17 Q22 R23T14-E19 HydrophobicContact CG2-CG 4.03Å; D15-E19 PolarHBondContact O-N 3.43Å; F17-E19 VanDerWaalsContact C-N 3.34Å; F17-E19 PolarHBondContact O-N 3.22Å; E19-Q22 PolarHBondContact O-N 2.98Å; E19-R23 WeakPolarHBondContact O-CG 3.41Å; E19-R23 PolarHBondContact O-N 2.75Å
20K96.2Very high87.8Confident137 Ų137108.5 Ų108.560%0.59657%0.567SS**Hα-helixtrans-62.9-44.5177.7-173176-173.9176.50111.3P16 F17 E18 Q22 R23 L24P16-K20 WeakPolarHBondContact O-CB 3.37Å; P16-K20 PolarHBondContact O-N 3.45Å; P16-K20 VanDerWaalsContact O-N 3.14Å; F17-K20 PolarHBondContact O-N 3.44Å; E18-K20 PolarHBondContact O-N 3.3Å; K20-Q22 VanDerWaalsContact C-N 3.33Å; K20-Q22 PolarHBondContact O-N 3.23Å; K20-R23 PolarHBondContact O-N 2.99Å; K20-L24 HydrophobicContact CG-CD1 4.28Å; K20-L24 VanDerWaalsContact O-CG 3.32Å; K20-L24 WeakPolarHBondContact O-CG 3.49Å; K20-L24 PolarHBondContact O-N 2.94Å
21L97.2Very high90Very high68 Ų68105.8 Ų105.836%0.35655%0.547SS..Hα-helixtrans-62.3-43.1178.6178.261.3000111.1F17 E18 L24 K25F17-L21 HydrophobicContact CE1-CD2 4.45Å; F17-L21 WeakPolarHBondContact O-CB 3.27Å; F17-L21 PolarHBondContact O-N 3.38Å; E18-L21 PolarHBondContact O-N 3.35Å; L21-L24 PolarHBondContact O-N 3.26Å; L21-K25 HydrophobicContact CD1-CG 4.49Å; L21-K25 HydrophobicContact CG-CD 4.35Å; L21-K25 WeakPolarHBondContact O-CG 3.39Å; L21-K25 PolarHBondContact O-N 3.17Å
22Q96.8Very high91.6Very high95 Ų95104.7 Ų104.744%0.44453%0.534SS..Hα-helixtrans-60.9-47.6178.3-176.255.43300111.3E18 E19 K20 L24 K25 E26E18-Q22 WeakPolarHBondContact O-CB 3.36Å; E18-Q22 PolarHBondContact O-N 3.25Å; E19-Q22 PolarHBondContact O-N 2.98Å; K20-Q22 VanDerWaalsContact C-N 3.33Å; K20-Q22 PolarHBondContact O-N 3.23Å; Q22-L24 VanDerWaalsContact C-N 3.32Å; Q22-L24 PolarHBondContact O-N 3.29Å; Q22-K25 WeakPolarHBondContact O-CB 3.29Å; Q22-K25 PolarHBondContact O-N 3.08Å; Q22-E26 WeakPolarHBondContact CG-OE1 3.37Å; Q22-E26 PolarHBondContact NE2-OE1 2.94Å; Q22-E26 WeakPolarHBondContact O-CG 3.46Å; Q22-E26 PolarHBondContact O-N 3.08Å
23R96.4Very high93.3Very high187 Ų18798.7 Ų98.771%0.70651%0.51SS*.Hα-helixtrans-60.4-39176.6-71.2174.663.5-166.6-0113E19 K20 E26 A27E19-R23 WeakPolarHBondContact O-CG 3.41Å; E19-R23 PolarHBondContact O-N 2.75Å; K20-R23 PolarHBondContact O-N 2.99Å; R23-E26 PolarHBondContact O-N 2.98Å; R23-A27 WeakPolarHBondContact O-CB 3.36Å; R23-A27 PolarHBondContact O-N 3.34Å
24L97.3Very high94.5Very high108 Ų108103.2 Ų103.257%0.56551%0.513SS*.Hα-helixtrans-66.6-42177-71.6170.9000111.7K20 L21 Q22 A27 F28K20-L24 HydrophobicContact CG-CD1 4.28Å; K20-L24 VanDerWaalsContact O-CG 3.32Å; K20-L24 WeakPolarHBondContact O-CG 3.49Å; K20-L24 PolarHBondContact O-N 2.94Å; L21-L24 PolarHBondContact O-N 3.26Å; Q22-L24 VanDerWaalsContact C-N 3.32Å; Q22-L24 PolarHBondContact O-N 3.29Å; L24-A27 PolarHBondContact O-N 3Å; L24-F28 WeakPolarHBondContact O-CB 3.48Å; L24-F28 PolarHBondContact O-N 3.26Å
25K97.9Very high95.7Very high105 Ų105103.1 Ų103.146%0.45751%0.512SS..Hα-helixtrans-60.7-46.4174.8-74172.7178.4172.20111.1L21 Q22 F28 N29L21-K25 HydrophobicContact CD1-CG 4.49Å; L21-K25 HydrophobicContact CG-CD 4.35Å; L21-K25 WeakPolarHBondContact O-CG 3.39Å; L21-K25 PolarHBondContact O-N 3.17Å; Q22-K25 WeakPolarHBondContact O-CB 3.29Å; Q22-K25 PolarHBondContact O-N 3.08Å; K25-F28 PolarHBondContact O-N 3.47Å; K25-N29 WeakPolarHBondContact O-CB 3.48Å; K25-N29 PolarHBondContact O-N 2.9Å; K25-N29 PolarHBondContact O-ND2 2.8Å
26E97.6Very high96.2Very high102 Ų102102.3 Ų102.348%0.47752%0.517SS..Hα-helixtrans-59.4-49.8177.7-73.4167.2-17400111.6Q22 R23 F28 N29 T30Q22-E26 WeakPolarHBondContact CG-OE1 3.37Å; Q22-E26 PolarHBondContact NE2-OE1 2.94Å; Q22-E26 WeakPolarHBondContact O-CG 3.46Å; Q22-E26 PolarHBondContact O-N 3.08Å; R23-E26 PolarHBondContact O-N 2.98Å; E26-F28 VanDerWaalsContact C-N 3.3Å; E26-F28 PolarHBondContact O-N 3.32Å; E26-N29 PolarHBondContact O-N 3.21Å; E26-T30 WeakPolarHBondContact O-CG2 3.4Å; E26-T30 PolarHBondContact O-N 3.27Å
27A96.3Very high96.5Very high54 Ų54104.7 Ų104.745%0.44652%0.517SS..Hα-helixtrans-58.8-41.5177.600000112.2R23 L24 T30R23-A27 WeakPolarHBondContact O-CB 3.36Å; R23-A27 PolarHBondContact O-N 3.34Å; L24-A27 PolarHBondContact O-N 3Å; A27-T30 PolarHBondContact O-OG1 3.29Å
28F96.8Very high96.7Very high119 Ų11999.5 Ų99.552%0.52249%0.494SS..Hα-helixtrans-65.3-43.9176.1-178.9-96.6000112.3L24 K25 E26 T30 G31 T33L24-F28 WeakPolarHBondContact O-CB 3.48Å; L24-F28 PolarHBondContact O-N 3.26Å; K25-F28 PolarHBondContact O-N 3.47Å; E26-F28 VanDerWaalsContact C-N 3.3Å; E26-F28 PolarHBondContact O-N 3.32Å; F28-T30 PolarHBondContact O-N 3.23Å; F28-G31 PolarHBondContact O-N 2.91Å; F28-T33 WeakPolarHBondContact CD2-OG1 3.44Å
29N97.9Very high96.9Very high125 Ų125100.1 Ų100.167%0.66849%0.492SS*.Hα-helixtrans-65.2-21.3-178.1-72.9-19.1000113.1K25 E26 G31K25-N29 WeakPolarHBondContact O-CB 3.48Å; K25-N29 PolarHBondContact O-N 2.9Å; K25-N29 PolarHBondContact O-ND2 2.8Å; E26-N29 PolarHBondContact O-N 3.21Å; N29-G31 PolarHBondContact O-N 3.43Å; N29-G31 VanDerWaalsContact O-N 3.13Å
30T97.1Very high97.1Very high98 Ų9897.6 Ų97.660%0.60149%0.488SS*.THydrogen-bonded Turntrans-59.8-19.316972.40000113.4E26 A27 F28 K32E26-T30 WeakPolarHBondContact O-CG2 3.4Å; E26-T30 PolarHBondContact O-N 3.27Å; A27-T30 PolarHBondContact O-OG1 3.29Å; F28-T30 PolarHBondContact O-N 3.23Å; T30-K32 PolarHBondContact O-N 3.13Å; T30-K32 WeakPolarHBondContact OG1-CB 3.38Å; T30-K32 PolarHBondContact OG1-N 2.93Å
31G96.7Very high97.2Very high21 Ų2194.8 Ų94.822%0.21648%0.477CS..SBendtrans77-2.4-176.600000114.6F28 N29 T33 K34F28-G31 PolarHBondContact O-N 2.91Å; N29-G31 PolarHBondContact O-N 3.43Å; N29-G31 VanDerWaalsContact O-N 3.13Å; G31-T33 PolarHBondContact O-N 2.67Å; G31-K34 VanDerWaalsContact O-CB 3.27Å; G31-K34 WeakPolarHBondContact O-CB 3.4Å; G31-K34 WeakPolarHBondContact O-CG 3.48Å; G31-K34 PolarHBondContact O-N 3.21Å
32K93.4Very high97.2Very high133 Ų13395.9 Ų95.958%0.57848%0.48SS*.G310 helixtrans-54.6-37.4-179.9-171.1-179.4-176-1770112.6T30 K34 T35 F38T30-K32 PolarHBondContact O-N 3.13Å; T30-K32 WeakPolarHBondContact OG1-CB 3.38Å; T30-K32 PolarHBondContact OG1-N 2.93Å; K32-K34 PolarHBondContact O-N 3.18Å; K32-T35 PolarHBondContact O-OG1 2.8Å; K32-F38 HydrophobicContact CD-CD2 4.01Å; K32-F38 HydrophobicContact CD-CE2 3.76Å; K32-F38 HydrophobicContact CD-CZ 4.48Å; K32-F38 VanDerWaalsContact CE-CE2 3.45Å; K32-F38 HydrophobicContact CG-CD2 3.74Å; K32-F38 HydrophobicContact CG-CE2 3.92Å; K32-F38 HydrophobicContact CG-CG 4.23Å; K32-F38 WeakPolarHBondContact O-CB 3.41Å; K32-F38 WeakPolarHBondContact O-CG 3.34Å
33T96.9Very high97.3Very high45 Ų4597.2 Ų97.228%0.27649%0.49SS..G310 helixtrans-66.7-16.6179.4570000114.1F28 G31 F38F28-T33 WeakPolarHBondContact CD2-OG1 3.44Å; G31-T33 PolarHBondContact O-N 2.67Å; T33-F38 HydrophobicContact CG2-CD1 4.46Å; T33-F38 HydrophobicContact CG2-CE1 3.89Å
34K96.1Very high97.4Very high154 Ų15493.9 Ų93.967%0.6748%0.482SS*.G310 helixtrans-74.7-24.7-177.9-63.3-177.9178.2179.80113.3G31 K32 R39G31-K34 VanDerWaalsContact O-CB 3.27Å; G31-K34 WeakPolarHBondContact O-CB 3.4Å; G31-K34 WeakPolarHBondContact O-CG 3.48Å; G31-K34 PolarHBondContact O-N 3.21Å; K32-K34 PolarHBondContact O-N 3.18Å; K34-R39 VanDerWaalsContact C-NH1 3.3Å; K34-R39 PolarHBondContact O-NH1 3.35Å
35T97.8Very high97.5Very high73 Ų7391 Ų9145%0.44847%0.471SS..SBendtrans-75.8137.9-176.270.80000111.2K32 K37 F38 R39K32-T35 PolarHBondContact O-OG1 2.8Å; T35-K37 VanDerWaalsContact C-N 3.27Å; T35-K37 PolarHBondContact O-N 3.2Å; T35-F38 PolarHBondContact O-N 3.38Å; T35-F38 WeakPolarHBondContact OG1-CB 3.29Å; T35-F38 PolarHBondContact OG1-N 3.1Å; T35-R39 PolarHBondContact O-N 3.09Å
36A97.9Very high97.5Very high66 Ų6690.6 Ų90.655%0.54547%0.473SS..Hα-helixtrans-61.9-38.2176.900000111.7F38 R39 A40A36-F38 PolarHBondContact O-N 3.01Å; A36-R39 PolarHBondContact O-N 3.43Å; A36-A40 WeakPolarHBondContact O-CB 3.42Å; A36-A40 PolarHBondContact O-N 3.04Å
37K97.9Very high97.6Very high149 Ų14987 Ų8765%0.64846%0.464SS*.Hα-helixtrans-56-51.5175.3179.3175.6174.5176.80111.7T35 R39 A40 E41T35-K37 VanDerWaalsContact C-N 3.27Å; T35-K37 PolarHBondContact O-N 3.2Å; K37-R39 VanDerWaalsContact C-N 3.33Å; K37-R39 PolarHBondContact O-N 2.81Å; K37-A40 PolarHBondContact O-N 3.3Å; K37-E41 WeakPolarHBondContact CE-OE1 3.48Å; K37-E41 HydrophobicContact CG-CG 4.47Å; K37-E41 IonicContact NZ-OE1 3.96Å; K37-E41 WeakPolarHBondContact O-CG 3.36Å; K37-E41 PolarHBondContact O-N 3.49Å
38F97.7Very high97.7Very high36 Ų3690 Ų9016%0.15846%0.464CS..Hα-helixtrans-58.4-46.2178.7178.9-93.6000111.4K32 T33 T35 A36 A40 E41 Q42K32-F38 HydrophobicContact CD-CD2 4.01Å; K32-F38 HydrophobicContact CD-CE2 3.76Å; K32-F38 HydrophobicContact CD-CZ 4.48Å; K32-F38 VanDerWaalsContact CE-CE2 3.45Å; K32-F38 HydrophobicContact CG-CD2 3.74Å; K32-F38 HydrophobicContact CG-CE2 3.92Å; K32-F38 HydrophobicContact CG-CG 4.23Å; K32-F38 WeakPolarHBondContact O-CB 3.41Å; K32-F38 WeakPolarHBondContact O-CG 3.34Å; T33-F38 HydrophobicContact CG2-CD1 4.46Å; T33-F38 HydrophobicContact CG2-CE1 3.89Å; T35-F38 PolarHBondContact O-N 3.38Å; T35-F38 WeakPolarHBondContact OG1-CB 3.29Å; T35-F38 PolarHBondContact OG1-N 3.1Å; A36-F38 PolarHBondContact O-N 3.01Å; F38-A40 PolarHBondContact O-N 3.45Å; F38-E41 PolarHBondContact O-N 3.28Å; F38-Q42 HydrophobicContact CD1-CG 3.91Å; F38-Q42 HydrophobicContact CE1-CG 3.48Å; F38-Q42 VanDerWaalsContact CE1-CG 3.48Å; F38-Q42 HydrophobicContact CE2-CG 4.24Å; F38-Q42 HydrophobicContact CG-CG 4.47Å; F38-Q42 HydrophobicContact CZ-CG 3.68Å; F38-Q42 VanDerWaalsContact O-CG 3.29Å; F38-Q42 WeakPolarHBondContact O-CG 3.35Å; F38-Q42 PolarHBondContact O-N 3.18Å
39R97.9Very high97.8Very high128 Ų12889.3 Ų89.348%0.48346%0.461SS..Hα-helixtrans-60.2-44.1178-66.8-164.8-60.8-83.63.3112.3K34 T35 A36 K37 Q42 L43K34-R39 VanDerWaalsContact C-NH1 3.3Å; K34-R39 PolarHBondContact O-NH1 3.35Å; T35-R39 PolarHBondContact O-N 3.09Å; A36-R39 PolarHBondContact O-N 3.43Å; K37-R39 VanDerWaalsContact C-N 3.33Å; K37-R39 PolarHBondContact O-N 2.81Å; R39-Q42 PolarHBondContact O-N 2.98Å; R39-L43 WeakPolarHBondContact O-CG 3.19Å; R39-L43 PolarHBondContact O-N 3.08Å
40A98.6Very high97.8Very high47 Ų4787.6 Ų87.639%0.38845%0.451SS..Hα-helixtrans-61.7-44.817700000111.7A36 K37 F38 Q42 L43 Q44A36-A40 WeakPolarHBondContact O-CB 3.42Å; A36-A40 PolarHBondContact O-N 3.04Å; K37-A40 PolarHBondContact O-N 3.3Å; F38-A40 PolarHBondContact O-N 3.45Å; A40-Q42 VanDerWaalsContact C-N 3.33Å; A40-Q42 PolarHBondContact O-N 2.99Å; A40-L43 PolarHBondContact O-N 3Å; A40-Q44 WeakPolarHBondContact O-CG 3.46Å; A40-Q44 PolarHBondContact O-N 3.17Å
41E98.5Very high97.8Very high78 Ų7889.9 Ų89.936%0.36446%0.455SS..Hα-helixtrans-61.1-39.6176.1-71.7170.4170.700112.2K37 F38 S45K37-E41 WeakPolarHBondContact CE-OE1 3.48Å; K37-E41 HydrophobicContact CG-CG 4.47Å; K37-E41 IonicContact NZ-OE1 3.96Å; K37-E41 WeakPolarHBondContact O-CG 3.36Å; K37-E41 PolarHBondContact O-N 3.49Å; F38-E41 PolarHBondContact O-N 3.28Å; E41-S45 WeakPolarHBondContact O-CB 3.33Å; E41-S45 PolarHBondContact O-N 3Å; E41-S45 PolarHBondContact O-OG 3.35Å
42Q98.4Very high97.9Very high91 Ų9194.9 Ų94.943%0.42548%0.477SS..Hα-helixtrans-65.6-43.7175.6-63.5-36.9-78.200111.7F38 R39 A40 S45 L46F38-Q42 HydrophobicContact CD1-CG 3.91Å; F38-Q42 HydrophobicContact CE1-CG 3.48Å; F38-Q42 VanDerWaalsContact CE1-CG 3.48Å; F38-Q42 HydrophobicContact CE2-CG 4.24Å; F38-Q42 HydrophobicContact CG-CG 4.47Å; F38-Q42 HydrophobicContact CZ-CG 3.68Å; F38-Q42 VanDerWaalsContact O-CG 3.29Å; F38-Q42 WeakPolarHBondContact O-CG 3.35Å; F38-Q42 PolarHBondContact O-N 3.18Å; R39-Q42 PolarHBondContact O-N 2.98Å; A40-Q42 VanDerWaalsContact C-N 3.33Å; A40-Q42 PolarHBondContact O-N 2.99Å; Q42-S45 PolarHBondContact O-N 2.87Å; Q42-L46 PolarHBondContact O-N 2.95Å
43L98.7Very high98.1Very high123 Ų12390.5 Ų90.564%0.64446%0.46SS*.Hα-helixtrans-63.5-42.4177.9-71.4171.4000112.1R39 A40 S45 L46 G47R39-L43 WeakPolarHBondContact O-CG 3.19Å; R39-L43 PolarHBondContact O-N 3.08Å; A40-L43 PolarHBondContact O-N 3Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 2.85Å; L43-L46 PolarHBondContact O-N 3.14Å; L43-G47 PolarHBondContact O-N 3.33Å
44Q98.7Very high98.1Very high117 Ų11790.8 Ų90.855%0.54746%0.463SS..Hα-helixtrans-62.5-39.5174.2-72.1176.8-7.200111.9A40 L46 G47 R48A40-Q44 WeakPolarHBondContact O-CG 3.46Å; A40-Q44 PolarHBondContact O-N 3.17Å; Q44-L46 VanDerWaalsContact C-N 3.34Å; Q44-G47 PolarHBondContact O-N 3.05Å; Q44-R48 PolarHBondContact O-N 2.99Å
45S98.5Very high98Very high48 Ų4890.8 Ų90.834%0.33646%0.464SS..Hα-helixtrans-66.5-38.4177.4-56.80000111.6E41 Q42 L43 R48 F49E41-S45 WeakPolarHBondContact O-CB 3.33Å; E41-S45 PolarHBondContact O-N 3Å; E41-S45 PolarHBondContact O-OG 3.35Å; Q42-S45 PolarHBondContact O-N 2.87Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 2.85Å; S45-R48 PolarHBondContact O-N 3.41Å; S45-R48 PolarHBondContact OG-NH2 3.06Å; S45-F49 WeakPolarHBondContact O-CB 3.4Å; S45-F49 PolarHBondContact O-N 3.5Å
46L98.6Very high98Very high95 Ų9593.7 Ų93.750%0.49747%0.472SS..Hα-helixtrans-63.8-43.3172.8-177.461.4000111.5Q42 L43 Q44 R48 F49 L50Q42-L46 PolarHBondContact O-N 2.95Å; L43-L46 PolarHBondContact O-N 3.14Å; Q44-L46 VanDerWaalsContact C-N 3.34Å; L46-R48 PolarHBondContact O-N 2.99Å; L46-F49 HydrophobicContact CD1-CD1 4.41Å; L46-F49 WeakPolarHBondContact O-CB 3.39Å; L46-F49 PolarHBondContact O-N 3.19Å; L46-L50 WeakPolarHBondContact O-CG 3.46Å; L46-L50 PolarHBondContact O-N 3.31Å
47G98.4Very high97.9Very high28 Ų2893.6 Ų93.629%0.28946%0.462SS..Hα-helixtrans-57.7-46.917500000112.6L43 Q44 L50 Q51L43-G47 PolarHBondContact O-N 3.33Å; Q44-G47 PolarHBondContact O-N 3.05Å; G47-L50 PolarHBondContact O-N 3.35Å; G47-Q51 WeakPolarHBondContact O-CG 3.32Å; G47-Q51 PolarHBondContact O-N 2.82Å; G47-Q51 VanDerWaalsContact O-N 3.08Å
48R98.8Very high97.7Very high116 Ų11691.2 Ų91.244%0.43845%0.453SS..Hα-helixtrans-61.5-45.7174.3-73.5-174.3-66.2-92.20.6112.2Q44 S45 L46 L50 Q51 D52Q44-R48 PolarHBondContact O-N 2.99Å; S45-R48 PolarHBondContact O-N 3.41Å; S45-R48 PolarHBondContact OG-NH2 3.06Å; L46-R48 PolarHBondContact O-N 2.99Å; R48-L50 VanDerWaalsContact C-N 3.27Å; R48-L50 PolarHBondContact O-N 2.83Å; R48-Q51 PolarHBondContact O-N 2.86Å; R48-Q51 VanDerWaalsContact O-N 3.08Å; R48-D52 WeakPolarHBondContact O-CB 3.47Å; R48-D52 PolarHBondContact O-N 3.28Å
49F98.5Very high97.6Very high105 Ų10593.7 Ų93.746%0.46147%0.468SS..Hα-helixtrans-54.6-44.8176.8171.6-96.3000111.9S45 L46 N53S45-F49 WeakPolarHBondContact O-CB 3.4Å; S45-F49 PolarHBondContact O-N 3.5Å; L46-F49 HydrophobicContact CD1-CD1 4.41Å; L46-F49 WeakPolarHBondContact O-CB 3.39Å; L46-F49 PolarHBondContact O-N 3.19Å; F49-N53 VanDerWaalsContact CD2-ND2 3.34Å; F49-N53 WeakPolarHBondContact CD2-ND2 3.37Å; F49-N53 WeakPolarHBondContact O-CB 3.39Å; F49-N53 PolarHBondContact O-N 2.87Å; F49-N53 VanDerWaalsContact O-N 3.09Å; F49-N53 PolarHBondContact O-ND2 3.14Å
50L97.9Very high97.4Very high89 Ų8990 Ų9047%0.46647%0.465SS..Hα-helixtrans-65-40.1177.7-66.8173000112.3L46 G47 R48 S54 L57L46-L50 WeakPolarHBondContact O-CG 3.46Å; L46-L50 PolarHBondContact O-N 3.31Å; G47-L50 PolarHBondContact O-N 3.35Å; R48-L50 VanDerWaalsContact C-N 3.27Å; R48-L50 PolarHBondContact O-N 2.83Å; L50-S54 VanDerWaalsContact O-CA 3.29Å; L50-S54 WeakPolarHBondContact O-CA 3.43Å; L50-S54 WeakPolarHBondContact O-CB 3.25Å; L50-S54 PolarHBondContact O-N 3.06Å; L50-L57 HydrophobicContact CD2-CD1 3.87Å
51Q98Very high97.2Very high145 Ų14592 Ų9268%0.67847%0.469SS*.Hα-helixtrans-66-52.7177.3-71.4172.6-3.500111.3G47 R48 N53 S54G47-Q51 WeakPolarHBondContact O-CG 3.32Å; G47-Q51 PolarHBondContact O-N 2.82Å; G47-Q51 VanDerWaalsContact O-N 3.08Å; R48-Q51 PolarHBondContact O-N 2.86Å; R48-Q51 VanDerWaalsContact O-N 3.08Å; Q51-N53 PolarHBondContact O-N 3.48Å; Q51-S54 WeakPolarHBondContact O-CB 3.5Å; Q51-S54 PolarHBondContact O-N 3.02Å
52D98.5Very high96.8Very high127 Ų12791.2 Ų91.268%0.67947%0.467SS*.Hα-helixtrans-62.9-30-175.7-64-18.2000112R48R48-D52 WeakPolarHBondContact O-CB 3.47Å; R48-D52 PolarHBondContact O-N 3.28Å
53N97.7Very high96.6Very high41 Ų4190 Ų9022%0.21948%0.479CS..THydrogen-bonded Turntrans-109.811.9-176.9-58-84.6000113.4F49 Q51 K55 Q56 L57F49-N53 VanDerWaalsContact CD2-ND2 3.34Å; F49-N53 WeakPolarHBondContact CD2-ND2 3.37Å; F49-N53 WeakPolarHBondContact O-CB 3.39Å; F49-N53 PolarHBondContact O-N 2.87Å; F49-N53 VanDerWaalsContact O-N 3.09Å; F49-N53 PolarHBondContact O-ND2 3.14Å; Q51-N53 PolarHBondContact O-N 3.48Å; N53-K55 VanDerWaalsContact C-N 3.32Å; N53-K55 PolarHBondContact O-N 3.33Å; N53-Q56 PolarHBondContact O-N 3Å; N53-Q56 VanDerWaalsContact O-N 3.1Å; N53-L57 HydrophobicContact CB-CD1 4.39Å; N53-L57 HydrophobicContact CB-CG 4.4Å; N53-L57 WeakPolarHBondContact O-CG 3.34Å; N53-L57 PolarHBondContact O-N 2.85Å
54S96.2Very high96.3Very high50 Ų5090.7 Ų90.735%0.3548%0.483SS..Hα-helixtrans-52.7-45.7-171.6171.80000113.3L50 Q51 L57 H58L50-S54 VanDerWaalsContact O-CA 3.29Å; L50-S54 WeakPolarHBondContact O-CA 3.43Å; L50-S54 WeakPolarHBondContact O-CB 3.25Å; L50-S54 PolarHBondContact O-N 3.06Å; Q51-S54 WeakPolarHBondContact O-CB 3.5Å; Q51-S54 PolarHBondContact O-N 3.02Å; S54-L57 PolarHBondContact O-N 2.89Å; S54-H58 PolarHBondContact O-N 3.38Å
55K95.8Very high95.8Very high155 Ų15590.3 Ų90.367%0.67448%0.484SS*.Hα-helixtrans-63.2-48.1178.9-177.4178.9176.3-177.10112.2N53 L57 H58 D59N53-K55 VanDerWaalsContact C-N 3.32Å; N53-K55 PolarHBondContact O-N 3.33Å; K55-L57 VanDerWaalsContact C-N 3.26Å; K55-L57 PolarHBondContact O-N 3.48Å; K55-H58 PolarHBondContact O-N 3.48Å; K55-H58 VanDerWaalsContact O-N 3.17Å; K55-D59 WeakPolarHBondContact CE-OD2 3.42Å; K55-D59 VanDerWaalsContact O-CG 3.27Å; K55-D59 PolarHBondContact O-N 3.1Å
56Q96.9Very high94.6Very high134 Ų13491.1 Ų91.163%0.62650%0.5SS*.Hα-helixtrans-62-38.3-179-65.3178.96.200111.4N53 A60N53-Q56 PolarHBondContact O-N 3Å; N53-Q56 VanDerWaalsContact O-N 3.1Å; Q56-A60 WeakPolarHBondContact O-CB 3.34Å; Q56-A60 PolarHBondContact O-N 2.92Å
57L95.8Very high92.7Very high64 Ų6493.9 Ų93.934%0.33551%0.508SS..Hα-helixtrans-65.5-43175.8-66.7172.1000111.5L50 N53 S54 K55 L61L50-L57 HydrophobicContact CD2-CD1 3.87Å; N53-L57 HydrophobicContact CB-CD1 4.39Å; N53-L57 HydrophobicContact CB-CG 4.4Å; N53-L57 WeakPolarHBondContact O-CG 3.34Å; N53-L57 PolarHBondContact O-N 2.85Å; S54-L57 PolarHBondContact O-N 2.89Å; K55-L57 VanDerWaalsContact C-N 3.26Å; K55-L57 PolarHBondContact O-N 3.48Å; L57-L61 WeakPolarHBondContact O-CB 3.35Å; L57-L61 WeakPolarHBondContact O-CD1 3.43Å; L57-L61 WeakPolarHBondContact O-CG 3.41Å; L57-L61 PolarHBondContact O-N 3.3Å
58H93.8Very high90.6Very high98 Ų9896.9 Ų96.945%0.45453%0.53SS..Hα-helixtrans-64.8-46.5174.6-71.9166.2000112.4S54 K55 A60 L61 D62S54-H58 PolarHBondContact O-N 3.38Å; K55-H58 PolarHBondContact O-N 3.48Å; K55-H58 VanDerWaalsContact O-N 3.17Å; H58-A60 VanDerWaalsContact C-N 3.28Å; H58-A60 PolarHBondContact O-N 2.95Å; H58-L61 PolarHBondContact O-N 2.96Å; H58-L61 VanDerWaalsContact O-N 3.14Å; H58-D62 WeakPolarHBondContact O-CB 3.43Å; H58-D62 PolarHBondContact O-N 3.17Å
59D94.9Very high88.6Confident89 Ų8994 Ų9448%0.47653%0.528SS..Hα-helixtrans-59.6-40.5179.1-67-15.7000111K55 G63K55-D59 WeakPolarHBondContact CE-OD2 3.42Å; K55-D59 VanDerWaalsContact O-CG 3.27Å; K55-D59 PolarHBondContact O-N 3.1Å; D59-G63 PolarHBondContact O-N 2.95Å
60A94.5Very high86.8Confident51 Ų5194.7 Ų94.742%0.42155%0.546SS..Hα-helixtrans-66.1-44175.100000112.2Q56 H58 G63 D64Q56-A60 WeakPolarHBondContact O-CB 3.34Å; Q56-A60 PolarHBondContact O-N 2.92Å; H58-A60 VanDerWaalsContact C-N 3.28Å; H58-A60 PolarHBondContact O-N 2.95Å; A60-G63 PolarHBondContact O-N 3.31Å; A60-D64 WeakPolarHBondContact O-CB 3.15Å; A60-D64 PolarHBondContact O-N 2.83Å
61L93.4Very high84.5Confident88 Ų8898.8 Ų98.846%0.46156%0.563SS.*Hα-helixtrans-63.9-40.6177.1-73.7168.3000112.1L57 H58 G63 D64 L65L57-L61 WeakPolarHBondContact O-CB 3.35Å; L57-L61 WeakPolarHBondContact O-CD1 3.43Å; L57-L61 WeakPolarHBondContact O-CG 3.41Å; L57-L61 PolarHBondContact O-N 3.3Å; H58-L61 PolarHBondContact O-N 2.96Å; H58-L61 VanDerWaalsContact O-N 3.14Å; L61-G63 VanDerWaalsContact C-N 3.33Å; L61-D64 PolarHBondContact O-N 3.06Å; L61-L65 HydrophobicContact CD2-CD1 3.85Å; L61-L65 WeakPolarHBondContact O-CA 3.23Å; L61-L65 VanDerWaalsContact O-CB 3.25Å; L61-L65 WeakPolarHBondContact O-CB 3.32Å; L61-L65 PolarHBondContact O-N 3.33Å
62D91.4Very high81.6Confident62 Ų62101.9 Ų101.933%0.33259%0.591SS.*Hα-helixtrans-63.5-41.6176-75.5-0.1000110.4H58 G66H58-D62 WeakPolarHBondContact O-CB 3.43Å; H58-D62 PolarHBondContact O-N 3.17Å; D62-G66 VanDerWaalsContact O-CA 3.23Å; D62-G66 WeakPolarHBondContact O-CA 3.37Å; D62-G66 PolarHBondContact O-N 3.27Å
63G92.7Very high80.8Confident65 Ų65100.6 Ų100.667%0.6759%0.587SS**Hα-helixtrans-65.6-44.7175.800000113.9D59 A60 L61D59-G63 PolarHBondContact O-N 2.95Å; A60-G63 PolarHBondContact O-N 3.31Å; L61-G63 VanDerWaalsContact C-N 3.33Å
64D92.5Very high79.9Confident138 Ų138103.7 Ų103.774%0.73861%0.606SS**Hα-helixtrans-78.5-38.9-175.8-73.1-18.6000112.7A60 L61A60-D64 WeakPolarHBondContact O-CB 3.15Å; A60-D64 PolarHBondContact O-N 2.83Å; L61-D64 PolarHBondContact O-N 3.06Å
65L88.8Confident79Confident108 Ų108106.7 Ų106.757%0.56562%0.621SS**Hα-helixtrans-108.3-13.2-169.7-55179.1000113.7L61 K67L61-L65 HydrophobicContact CD2-CD1 3.85Å; L61-L65 WeakPolarHBondContact O-CA 3.23Å; L61-L65 VanDerWaalsContact O-CB 3.25Å; L61-L65 WeakPolarHBondContact O-CB 3.32Å; L61-L65 PolarHBondContact O-N 3.33Å; L65-K67 HydrophobicContact CB-CG 4.27Å; L65-K67 PolarHBondContact O-N 3.36Å
66G73.4Confident78Confident66 Ų66103.9 Ų103.968%0.6862%0.617SS**  trans59.517.3-178.100000114.3D62D62-G66 VanDerWaalsContact O-CA 3.23Å; D62-G66 WeakPolarHBondContact O-CA 3.37Å; D62-G66 PolarHBondContact O-N 3.27Å
67K59.1Low76.8Confident153 Ų153102 Ų10267%0.66562%0.617SS**  trans-88.5113.3-179.2-70.3-170179.5-176.80108.7L65 S69L65-K67 HydrophobicContact CB-CG 4.27Å; L65-K67 PolarHBondContact O-N 3.36Å; K67-S69 PolarHBondContact O-N 3.34Å
68A54.8Low75.6Confident91 Ų91104.5 Ų104.575%0.75264%0.636SS**  trans-52.2115.5168.300000108.7S70A68-S70 PolarHBondContact O-N 2.98Å; A68-S70 VanDerWaalsContact O-N 3.08Å
69S55.5Low74.3Confident56 Ų56105 Ų10539%0.39265%0.649SS.*  trans-37.6117.4176.3470000110.9K67 Q71K67-S69 PolarHBondContact O-N 3.34Å; S69-Q71 PolarHBondContact O-N 3.32Å
70S60.3Low72.7Confident118 Ų118106.2 Ų106.283%0.82566%0.662SS**  trans-70.779.3164-63.30000106.8A68 T72A68-S70 PolarHBondContact O-N 2.98Å; A68-S70 VanDerWaalsContact O-N 3.08Å; S70-T72 PolarHBondContact O-N 3.41Å
71Q51.1Low70.9Confident176 Ų176110.8 Ų110.882%0.82268%0.682SS**  trans-64.1122.2168.3-70.3-170.5-20.700107.5S69S69-Q71 PolarHBondContact O-N 3.32Å
72T37.5Very low68.8Low209 Ų209112.9 Ų112.9100%1.28270%0.702SS**  trans-117.80163.7-18.50000108S70S70-T72 PolarHBondContact O-N 3.41Å

Retrieved 72 of 72 residues in 18.6 ms (Link to these results)