X5D7W4_HUMAN Loading...

Adenylosuccinate lyase isoform C

AlphaFold DB , UniProt , Accession X5D7W4, Species HUMAN (Homo sapiens, Human), Gene ADSL, Length 46 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
1M49.3Very low53.5Low252 Ų252111.1 Ų111.1100%1.24172%0.719SS**  0106.20-149.9145.4-172.800107.7
2A33.3Very low55.5Low97 Ų97108.7 Ų108.780%0.80271%0.707SS**  trans-178.899.1159.600000105.9G4A2-G4 PolarHBondContact O-N 3.41Å
3A49Very low57.2Low111 Ų111116.1 Ų116.192%0.91772%0.715SS**  trans-6875.3162.900000107.3G5A3-G5 VanDerWaalsContact C-N 3.3Å; A3-G5 PolarHBondContact O-N 3.02Å
4G43.6Very low58.6Low64 Ų64115.2 Ų115.266%0.6669%0.692SS**  trans-83.682.9171.600000107.2A2 D6A2-G4 PolarHBondContact O-N 3.41Å; G4-D6 PolarHBondContact O-N 3.25Å; G4-D6 VanDerWaalsContact O-N 3.12Å
5G50.7Low60.1Low50 Ų50110.9 Ų110.952%0.51567%0.669SS.*  trans-46.5124.715700000106.3A3 H7A3-G5 VanDerWaalsContact C-N 3.3Å; A3-G5 PolarHBondContact O-N 3.02Å; G5-H7 PolarHBondContact O-CD2 2.67Å; G5-H7 PolarHBondContact O-N 2.76Å
6D57.6Low61.5Low98 Ų98107.7 Ų107.752%0.52465%0.651SS.*  trans-47.792.8175.5177.5-90.8000107G4 G8 R14G4-D6 PolarHBondContact O-N 3.25Å; G4-D6 VanDerWaalsContact O-N 3.12Å; D6-G8 PolarHBondContact O-N 3.5Å; D6-R14 PolarHBondContact O-NH1 3.18Å; D6-R14 PolarHBondContact O-NH2 3.28Å; D6-R14 IonicContact OD1-NH2 3.65Å
7H57.6Low62.8Low180 Ų180108 Ų10883%0.83365%0.648SS**  trans-81.766.7175.9-85.9-89.8000105.1G5 S9G5-H7 PolarHBondContact O-CD2 2.67Å; G5-H7 PolarHBondContact O-N 2.76Å; H7-S9 PolarHBondContact O-N 3Å
8G58.7Low63.7Low38 Ų38104.8 Ų104.839%0.39264%0.635SS.*  trans-48.7139161.700000108.2D6D6-G8 PolarHBondContact O-N 3.5Å
9S60.5Low64.4Low64 Ų64102.7 Ų102.745%0.44863%0.625SS.*  trans-38.6129.4-175-151.20000110.4H7 D11 S12H7-S9 PolarHBondContact O-N 3Å; S9-D11 PolarHBondContact O-N 3.21Å; S9-D11 PolarHBondContact OG-OD2 3.15Å; S9-D11 VanDerWaalsContact OG-OD2 3.09Å; S9-S12 PolarHBondContact O-N 3.11Å
10P62.9Low65.2Low128 Ų128107.7 Ų107.783%0.83163%0.632SS**THydrogen-bonded Turntrans-57.4-15.7178.723.9-32.5000112.7
11D65.1Low66Low140 Ų140110.4 Ų110.475%0.74963%0.633SS**THydrogen-bonded Turntrans-83.2-13.8177.5-46.2-87.2000114.6S9S9-D11 PolarHBondContact O-N 3.21Å; S9-D11 PolarHBondContact OG-OD2 3.15Å; S9-D11 VanDerWaalsContact OG-OD2 3.09Å
12S78Confident67.6Low82 Ų82100.5 Ų100.557%0.57359%0.592SS**SBendtrans-97.7131.7-179.9-71.60000110.8S9 R14S9-S12 PolarHBondContact O-N 3.11Å; S12-R14 PolarHBondContact O-N 3.35Å
13Y77.3Confident70.1Confident205 Ų20598.4 Ų98.480%0.80457%0.571SS**  trans-56.3126.7176.4176-98.5000110.6
14R77Confident71.4Confident104 Ų10497.7 Ų97.739%0.39256%0.557SS.*  trans-125130176.9-165.8175.8178.2176.611.3109.2D6 S12D6-R14 PolarHBondContact O-NH1 3.18Å; D6-R14 PolarHBondContact O-NH2 3.28Å; D6-R14 IonicContact OD1-NH2 3.65Å; S12-R14 PolarHBondContact O-N 3.35Å
15S80.8Confident73.3Confident50 Ų50100.6 Ų100.635%0.3555%0.553SS.*  trans-56.1122.2179.4178.50000110.1L17 A18 S19S15-L17 PolarHBondContact O-N 3.4Å; S15-A18 PolarHBondContact O-N 3.25Å; S15-S19 PolarHBondContact O-N 3.35Å; S15-S19 VanDerWaalsContact O-N 3.09Å; S15-S19 PolarHBondContact O-OG 3.08Å
16P82.3Confident74.8Confident60 Ų60103.2 Ų103.239%0.3955%0.553SS.*Hα-helixtrans-62.7-25.1-178.624.7-33.5000112.2S19 R20 Y21P16-S19 WeakPolarHBondContact CA-OG 3.22Å; P16-R20 PolarHBondContact O-N 3.09Å; P16-Y21 HydrophobicContact CB-CD2 4.4Å; P16-Y21 HydrophobicContact CB-CE2 4.18Å; P16-Y21 VanDerWaalsContact O-CD2 3.22Å; P16-Y21 WeakPolarHBondContact O-CD2 3.1Å; P16-Y21 PolarHBondContact O-N 3.03Å
17L83.3Confident75.8Confident113 Ų113100.2 Ų100.259%0.59254%0.54SS*.Iπ-helixtrans-59.5-51.7171.6-68.3171.5000110.6S15 Y21 A22S15-L17 PolarHBondContact O-N 3.4Å; L17-Y21 PolarHBondContact O-N 3.26Å; L17-A22 WeakPolarHBondContact O-CB 3.17Å; L17-A22 PolarHBondContact O-N 3.07Å
18A79.6Confident76.8Confident51 Ų5197.6 Ų97.642%0.42153%0.526SS..Iπ-helixtrans-73.2-29.3-177.400000113.5S15S15-A18 PolarHBondContact O-N 3.25Å
19S76.8Confident77.8Confident64 Ų6498.6 Ų98.645%0.44853%0.525SS..Iπ-helixtrans-91.5-21.8-175.262.80000114.8S15 P16S15-S19 PolarHBondContact O-N 3.35Å; S15-S19 VanDerWaalsContact O-N 3.09Å; S15-S19 PolarHBondContact O-OG 3.08Å; P16-S19 WeakPolarHBondContact CA-OG 3.22Å
20R80.9Confident78.5Confident202 Ų202102.2 Ų102.276%0.76253%0.532SS*.Iπ-helixtrans-136.9-33.8-172.3-169.1171-177.5160.30.3115.6P16P16-R20 PolarHBondContact O-N 3.09Å
21Y82.7Confident79.1Confident165 Ų16598 Ų9865%0.64751%0.506SS*.Iπ-helixtrans-107.2-33.8-166.9-61.9-67.1000114.5P16 L17P16-Y21 HydrophobicContact CB-CD2 4.4Å; P16-Y21 HydrophobicContact CB-CE2 4.18Å; P16-Y21 VanDerWaalsContact O-CD2 3.22Å; P16-Y21 WeakPolarHBondContact O-CD2 3.1Å; P16-Y21 PolarHBondContact O-N 3.03Å; L17-Y21 PolarHBondContact O-N 3.26Å
22A83.1Confident79.5Confident45 Ų4597.7 Ų97.737%0.37250%0.504SS..SBendtrans-82.2145.8-178.200000111.1L17 C27L17-A22 WeakPolarHBondContact O-CB 3.17Å; L17-A22 PolarHBondContact O-N 3.07Å; A22-C27 VanDerWaalsContact CB-SG 3.55Å
23S83.9Confident78.9Confident52 Ų52102.8 Ų102.836%0.36451%0.511SS..  trans-70.4152171.786.10000110.5E25 M26 C27S23-E25 WeakPolarHBondContact CB-OE2 3.47Å; S23-E25 PolarHBondContact O-N 3.26Å; S23-E25 PolarHBondContact OG-OE2 3.16Å; S23-M26 PolarHBondContact O-N 2.9Å; S23-M26 VanDerWaalsContact O-N 3.15Å; S23-M26 PolarHBondContact OG-N 2.84Å; S23-C27 PolarHBondContact O-N 2.67Å
24P77.1Confident78.4Confident96 Ų9695.4 Ų95.462%0.62348%0.484SS*.Hα-helixtrans-57.1-33.9-179.5-25.535.1000113.9C27 F28P24-C27 PolarHBondContact O-N 3.12Å; P24-F28 WeakPolarHBondContact O-CB 3.4Å; P24-F28 PolarHBondContact O-N 2.84Å
25E83.2Confident77.8Confident126 Ų12697.5 Ų97.559%0.58949%0.492SS*.Hα-helixtrans-67.5-40.6-179.2-52.369.3-150.500110.3S23 F28 V29S23-E25 WeakPolarHBondContact CB-OE2 3.47Å; S23-E25 PolarHBondContact O-N 3.26Å; S23-E25 PolarHBondContact OG-OE2 3.16Å; E25-F28 WeakPolarHBondContact O-CB 3.37Å; E25-F28 PolarHBondContact O-N 2.58Å; E25-V29 WeakPolarHBondContact O-CG2 3.42Å; E25-V29 PolarHBondContact O-N 3.17Å; E25-V29 VanDerWaalsContact O-N 3.11Å
26M83.4Confident77.1Confident104 Ų10499.5 Ų99.551%0.51250%0.502SS..Hα-helixtrans-70.2-43174.6-82.1-68.1-71.300111.6S23 F28 V29 F30S23-M26 PolarHBondContact O-N 2.9Å; S23-M26 VanDerWaalsContact O-N 3.15Å; S23-M26 PolarHBondContact OG-N 2.84Å; M26-F28 PolarHBondContact O-N 3.2Å; M26-V29 PolarHBondContact O-N 3.49Å; M26-F30 HydrophobicContact CE-CD2 4.31Å; M26-F30 HydrophobicContact CE-CE2 3.63Å; M26-F30 WeakPolarHBondContact O-CD2 3.25Å; M26-F30 PolarHBondContact O-N 3.35Å; M26-F30 HydrophobicContact SD-CE2 4.29Å
27C78.8Confident76Confident36 Ų36100.8 Ų100.824%0.24351%0.511CS..Hα-helixtrans-57-37172.7-71.30000111.6A22 S23 P24 S31A22-C27 VanDerWaalsContact CB-SG 3.55Å; S23-C27 PolarHBondContact O-N 2.67Å; P24-C27 PolarHBondContact O-N 3.12Å; C27-S31 PolarHBondContact O-N 2.67Å; C27-S31 VanDerWaalsContact O-N 3.16Å; C27-S31 PolarHBondContact O-OG 3.18Å
28F77.4Confident74.9Confident125 Ų12599.2 Ų99.255%0.54850%0.503SS..Hα-helixtrans-67.9-44.7178.1-177-97.7000112.8P24 E25 M26 F30 S31 H34P24-F28 WeakPolarHBondContact O-CB 3.4Å; P24-F28 PolarHBondContact O-N 2.84Å; E25-F28 WeakPolarHBondContact O-CB 3.37Å; E25-F28 PolarHBondContact O-N 2.58Å; M26-F28 PolarHBondContact O-N 3.2Å; F28-F30 PolarHBondContact O-N 3Å; F28-S31 WeakPolarHBondContact O-CB 3.35Å; F28-S31 PolarHBondContact O-N 3.07Å; F28-H34 HydrophobicContact CE1-CB 4.3Å; F28-H34 AromaticContact CE1-CD2 3.83Å; F28-H34 HydrophobicContact CZ-CB 4.48Å; F28-H34 VanDerWaalsContact O-CB 3.25Å; F28-H34 WeakPolarHBondContact O-CB 3.38Å
29V79.9Confident74.4Confident59 Ų59100.3 Ų100.336%0.35851%0.508SS..Hα-helixtrans-55.7-40.5178.6169.30000112E25 M26 H34E25-V29 WeakPolarHBondContact O-CG2 3.42Å; E25-V29 PolarHBondContact O-N 3.17Å; E25-V29 VanDerWaalsContact O-N 3.11Å; M26-V29 PolarHBondContact O-N 3.49Å; V29-H34 PolarHBondContact O-ND1 2.93Å; V29-H34 VanDerWaalsContact O-ND1 3.08Å
30F75.1Confident73.8Confident139 Ų139102.8 Ų102.861%0.6151%0.512SS*.THydrogen-bonded Turntrans-94.27.6-178.8-66.2-79.6000114M26 F28M26-F30 HydrophobicContact CE-CD2 4.31Å; M26-F30 HydrophobicContact CE-CE2 3.63Å; M26-F30 WeakPolarHBondContact O-CD2 3.25Å; M26-F30 PolarHBondContact O-N 3.35Å; M26-F30 HydrophobicContact SD-CE2 4.29Å; F28-F30 PolarHBondContact O-N 3Å
31S76.1Confident73Confident39 Ų3999.2 Ų99.227%0.27351%0.505SS..SBendtrans-79.4140.1174.9-71.50000111.2C27 F28 R33 H34 W35C27-S31 PolarHBondContact O-N 2.67Å; C27-S31 VanDerWaalsContact O-N 3.16Å; C27-S31 PolarHBondContact O-OG 3.18Å; F28-S31 WeakPolarHBondContact O-CB 3.35Å; F28-S31 PolarHBondContact O-N 3.07Å; S31-R33 PolarHBondContact O-N 3.39Å; S31-R33 VanDerWaalsContact O-N 3.07Å; S31-H34 WeakPolarHBondContact O-CB 3.44Å; S31-H34 PolarHBondContact O-N 2.94Å; S31-W35 PolarHBondContact O-N 3.27Å
32D73Confident72.4Confident135 Ų13596.2 Ų96.272%0.72250%0.501SS*.Hα-helixtrans-54.3-32.3176-61.9-78.6000112.8H34 W35 V36D32-H34 VanDerWaalsContact C-N 3.31Å; D32-H34 PolarHBondContact O-N 2.91Å; D32-W35 PolarHBondContact O-N 3.46Å; D32-V36 VanDerWaalsContact O-CG2 3.32Å; D32-V36 WeakPolarHBondContact O-CG2 3.18Å; D32-V36 PolarHBondContact O-N 2.88Å
33R66.3Low71.5Confident188 Ų188101.2 Ų101.271%0.70951%0.514SS*.Hα-helixtrans-62.2-35.7176.5-75.1-172-88.7-117.80.5113.1S31 C37S31-R33 PolarHBondContact O-N 3.39Å; S31-R33 VanDerWaalsContact O-N 3.07Å; R33-C37 WeakPolarHBondContact O-CB 3.35Å; R33-C37 PolarHBondContact O-N 2.9Å
34H66.4Low70.7Confident51 Ų51103.6 Ų103.624%0.23653%0.531CS..Hα-helixtrans-68.5-43.7176.8175.5-120.1000110.7F28 V29 S31 D32 C37 L38F28-H34 HydrophobicContact CE1-CB 4.3Å; F28-H34 AromaticContact CE1-CD2 3.83Å; F28-H34 HydrophobicContact CZ-CB 4.48Å; F28-H34 VanDerWaalsContact O-CB 3.25Å; F28-H34 WeakPolarHBondContact O-CB 3.38Å; V29-H34 PolarHBondContact O-ND1 2.93Å; V29-H34 VanDerWaalsContact O-ND1 3.08Å; S31-H34 WeakPolarHBondContact O-CB 3.44Å; S31-H34 PolarHBondContact O-N 2.94Å; D32-H34 VanDerWaalsContact C-N 3.31Å; D32-H34 PolarHBondContact O-N 2.91Å; H34-C37 PolarHBondContact O-N 3.32Å; H34-L38 WeakPolarHBondContact O-CB 3.41Å; H34-L38 PolarHBondContact O-N 3.47Å
35W64.1Low70Confident147 Ų147109.6 Ų109.656%0.55754%0.541SS*.Hα-helixtrans-64.3-40.5176.5-66.9107.8000113S31 D32 S39S31-W35 PolarHBondContact O-N 3.27Å; D32-W35 PolarHBondContact O-N 3.46Å; W35-S39 WeakPolarHBondContact O-CB 3.32Å; W35-S39 PolarHBondContact O-N 3.36Å
36V65.6Low68.8Low92 Ų92116.3 Ų116.356%0.55856%0.561SS**Hα-helixtrans-64.3-46174.8172.70000110.9D32 S39 Q40D32-V36 VanDerWaalsContact O-CG2 3.32Å; D32-V36 WeakPolarHBondContact O-CG2 3.18Å; D32-V36 PolarHBondContact O-N 2.88Å; V36-S39 PolarHBondContact O-N 3.46Å; V36-Q40 HydrophobicContact CG1-CG 4.45Å; V36-Q40 WeakPolarHBondContact O-CB 3.4Å; V36-Q40 WeakPolarHBondContact O-CG 3.19Å; V36-Q40 PolarHBondContact O-N 2.92Å
37C59.2Low68.1Low87 Ų87117 Ų11759%0.58856%0.564SS**Hα-helixtrans-63.1-46177.1-94.10000112.5R33 H34 S39 Q40 M41R33-C37 WeakPolarHBondContact O-CB 3.35Å; R33-C37 PolarHBondContact O-N 2.9Å; H34-C37 PolarHBondContact O-N 3.32Å; C37-S39 VanDerWaalsContact C-N 3.34Å; C37-S39 PolarHBondContact O-N 2.94Å; C37-Q40 PolarHBondContact O-N 2.89Å; C37-M41 WeakPolarHBondContact O-CB 3.43Å; C37-M41 PolarHBondContact O-N 3.33Å
38L61.5Low67.5Low80 Ų80121.2 Ų121.242%0.41958%0.58SS.*Hα-helixtrans-64.1-40.9179.7-172.767000111.5H34 M41 N42H34-L38 WeakPolarHBondContact O-CB 3.41Å; H34-L38 PolarHBondContact O-N 3.47Å; L38-M41 PolarHBondContact O-N 3.46Å; L38-N42 WeakPolarHBondContact O-CB 3.4Å; L38-N42 PolarHBondContact O-N 2.92Å
39S67.2Low67Low75 Ų75121 Ų12152%0.52458%0.582SS.*Hα-helixtrans-62.1-45.2175.4-174.10000111.7W35 V36 C37 M41 N42 K43W35-S39 WeakPolarHBondContact O-CB 3.32Å; W35-S39 PolarHBondContact O-N 3.36Å; V36-S39 PolarHBondContact O-N 3.46Å; C37-S39 VanDerWaalsContact C-N 3.34Å; C37-S39 PolarHBondContact O-N 2.94Å; S39-M41 PolarHBondContact O-N 2.98Å; S39-N42 PolarHBondContact O-N 3.32Å; S39-K43 WeakPolarHBondContact O-CB 3.4Å; S39-K43 PolarHBondContact O-N 3.29Å
40Q64.4Low66.2Low116 Ų116124.6 Ų124.654%0.54260%0.595SS.*Hα-helixtrans-64.1-40176.1-70.2-70.4100.700112.2V36 C37 K43 S44V36-Q40 HydrophobicContact CG1-CG 4.45Å; V36-Q40 WeakPolarHBondContact O-CB 3.4Å; V36-Q40 WeakPolarHBondContact O-CG 3.19Å; V36-Q40 PolarHBondContact O-N 2.92Å; C37-Q40 PolarHBondContact O-N 2.89Å; Q40-K43 PolarHBondContact O-N 3.48Å; Q40-S44 PolarHBondContact O-N 3.46Å
41M63.9Low65.7Low126 Ų126123.8 Ų123.862%0.62159%0.594SS**Hα-helixtrans-68.4-36177.5-138.21626900112C37 L38 S39 R45C37-M41 WeakPolarHBondContact O-CB 3.43Å; C37-M41 PolarHBondContact O-N 3.33Å; L38-M41 PolarHBondContact O-N 3.46Å; S39-M41 PolarHBondContact O-N 2.98Å; M41-R45 WeakPolarHBondContact O-CG 3.43Å; M41-R45 PolarHBondContact O-N 2.99Å
42N69.8Low65Low102 Ų102129.4 Ų129.455%0.54562%0.616SS.*Hα-helixtrans-68.3-38.6173.4-162.8-94.6000111.7L38 S39 R45L38-N42 WeakPolarHBondContact O-CB 3.4Å; L38-N42 PolarHBondContact O-N 2.92Å; S39-N42 PolarHBondContact O-N 3.32Å; N42-R45 PolarHBondContact O-N 2.94Å
43K66.3Low64.4Low150 Ų150129 Ų12965%0.65261%0.608SS**Hα-helixtrans-65.3-35.2176-168171-175.81750112.9S39 Q40 R45S39-K43 WeakPolarHBondContact O-CB 3.4Å; S39-K43 PolarHBondContact O-N 3.29Å; Q40-K43 PolarHBondContact O-N 3.48Å; K43-R45 VanDerWaalsContact C-N 3.29Å; K43-R45 PolarHBondContact O-N 3.09Å
44S66.2Low64.3Low103 Ų103124.5 Ų124.572%0.7260%0.601SS**THydrogen-bonded Turntrans-77.2-9.8177.5-169.30000114.4Q40Q40-S44 PolarHBondContact O-N 3.46Å
45R63.2Low64.1Low222 Ų222130.6 Ų130.684%0.83863%0.631SS**THydrogen-bonded Turntrans-1001.3177.2-67.9-177.688.3174.57.6113.2M41 N42 K43M41-R45 WeakPolarHBondContact O-CG 3.43Å; M41-R45 PolarHBondContact O-N 2.99Å; N42-R45 PolarHBondContact O-N 2.94Å; K43-R45 VanDerWaalsContact C-N 3.29Å; K43-R45 PolarHBondContact O-N 3.09Å
46R57.8Low64.1Low267 Ų267129.1 Ų129.1100%1.00864%0.638SS**  trans-104.70166.2-74.3-174.6179.1-175.30.1108.9

Retrieved 46 of 46 residues in 35.8 ms (Link to these results)