X5D7V4_HUMAN Loading...

Adenylosuccinate lyase isoform E

AlphaFold DB , UniProt , Accession X5D7V4, Species HUMAN (Homo sapiens, Human), Gene ADSL, Length 81 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
1M31.8Very low55Low246 Ų246112.6 Ų112.6100%1.21273%0.73SS**  0110.60-70174.2-177.100107.2A3M1-A3 PolarHBondContact O-N 3.42Å
2A35.7Very low57.3Low115 Ų115109.4 Ų109.495%0.9571%0.713SS**  trans-79105.6-170.500000110.6
3A42.4Very low58.8Low103 Ų103116.6 Ų116.685%0.85172%0.719SS**  trans-119.181.9170.300000108.4M1M1-A3 PolarHBondContact O-N 3.42Å
4G41.8Very low60.4Low82 Ų82115.5 Ų115.585%0.84570%0.695SS**  trans-112.366.1168.600000108.9D6G4-D6 PolarHBondContact O-N 3.29Å
5G50.5Low62Low47 Ų47110.9 Ų110.949%0.48567%0.67SS.*  trans-74.6119.8169.900000108.7H7G5-H7 VanDerWaalsContact C-N 3.25Å; G5-H7 PolarHBondContact O-N 3.28Å; G5-H7 PolarHBondContact O-ND1 3.36Å
6D53.4Low63.5Low143 Ų143108.1 Ų108.177%0.76566%0.655SS**  trans-62.893.3161.1175.538.8000107.5G4 G8 R14G4-D6 PolarHBondContact O-N 3.29Å; D6-G8 PolarHBondContact O-N 3.28Å; D6-G8 VanDerWaalsContact O-N 3.09Å; D6-R14 PolarHBondContact O-NH1 3.3Å; D6-R14 VanDerWaalsContact O-NH1 3.16Å
7H57.3Low64.8Low155 Ų155108.6 Ų108.672%0.71865%0.652SS**  trans-84.571173.3-61.679.6000107.5G5G5-H7 VanDerWaalsContact C-N 3.25Å; G5-H7 PolarHBondContact O-N 3.28Å; G5-H7 PolarHBondContact O-ND1 3.36Å
8G64.3Low65.9Low24 Ų24106 Ų10625%0.24765%0.645CS.*  trans-49155.6169.400000112.1D6 R14D6-G8 PolarHBondContact O-N 3.28Å; D6-G8 VanDerWaalsContact O-N 3.09Å; G8-R14 VanDerWaalsContact O-CZ 3.25Å; G8-R14 PolarHBondContact O-NE 3.34Å; G8-R14 PolarHBondContact O-NH2 2.91Å
9S74.8Confident66.7Low55 Ų55103.9 Ų103.939%0.38564%0.635SS.*  trans-49135.9-175.7-175.50000112.3D11 S12S9-D11 PolarHBondContact O-N 3.5Å; S9-D11 VanDerWaalsContact O-N 3.15Å; S9-D11 PolarHBondContact OG-N 2.75Å; S9-D11 PolarHBondContact OG-OD2 3.1Å; S9-S12 WeakPolarHBondContact O-CB 3.36Å; S9-S12 PolarHBondContact O-N 3.12Å
10P71.9Confident67.6Low120 Ų120109 Ų10978%0.77964%0.642SS**THydrogen-bonded Turntrans-61.3-17.617427.4-35.4000112.5S12P10-S12 VanDerWaalsContact C-N 3.3Å
11D81.4Confident68.6Low149 Ų149112 Ų11280%0.79764%0.644SS**THydrogen-bonded Turntrans-80.6-11.6175.3-52.9-41.1000112.7S9S9-D11 PolarHBondContact O-N 3.5Å; S9-D11 VanDerWaalsContact O-N 3.15Å; S9-D11 PolarHBondContact OG-N 2.75Å; S9-D11 PolarHBondContact OG-OD2 3.1Å
12S81.9Confident71.4Confident74 Ų74102.2 Ų102.252%0.51760%0.602SS.*SBendtrans-95.4140.5178.1-66.10000111.5S9 P10 R14S9-S12 WeakPolarHBondContact O-CB 3.36Å; S9-S12 PolarHBondContact O-N 3.12Å; P10-S12 VanDerWaalsContact C-N 3.3Å; S12-R14 PolarHBondContact O-N 3.36Å
13Y77.4Confident74.1Confident203 Ų20399.2 Ų99.280%0.79658%0.575SS**  trans-57.3129.5176.2173.7-103000111.3
14R80.7Confident76.2Confident101 Ų10199.1 Ų99.138%0.38157%0.565SS.*  trans-128.3138.8172.4-64.3-169.4-172.5-165.532.4109.7D6 G8 S12D6-R14 PolarHBondContact O-NH1 3.3Å; D6-R14 VanDerWaalsContact O-NH1 3.16Å; G8-R14 VanDerWaalsContact O-CZ 3.25Å; G8-R14 PolarHBondContact O-NE 3.34Å; G8-R14 PolarHBondContact O-NH2 2.91Å; S12-R14 PolarHBondContact O-N 3.36Å
15S85Confident78.6Confident47 Ų47101.2 Ų101.233%0.32955%0.553SS.*  trans-61.7126.8173.41770000110.1L17 A18 S19S15-L17 PolarHBondContact O-N 3.37Å; S15-L17 PolarHBondContact OG-N 2.93Å; S15-A18 PolarHBondContact O-N 2.96Å; S15-S19 PolarHBondContact O-N 2.58Å; S15-S19 PolarHBondContact O-OG 3Å
16P85.3Confident80.6Confident65 Ų65103.8 Ų103.842%0.42255%0.553SS.*Hα-helixtrans-63.3-27.1176.226.2-34000111.5S19 R20 Y21P16-S19 WeakPolarHBondContact CA-OG 3.4Å; P16-S19 PolarHBondContact O-N 3.46Å; P16-R20 PolarHBondContact O-N 2.79Å; P16-Y21 HydrophobicContact CB-CD2 4.47Å; P16-Y21 HydrophobicContact CB-CE2 4.15Å; P16-Y21 VanDerWaalsContact O-CD2 3.27Å; P16-Y21 WeakPolarHBondContact O-CD2 3.27Å
17L86.9Confident82.3Confident117 Ų11799 Ų9961%0.61353%0.53SS*.Iπ-helixtrans-61.4-47.1174.1-66.6175000111.2S15 Y21 A22S15-L17 PolarHBondContact O-N 3.37Å; S15-L17 PolarHBondContact OG-N 2.93Å; L17-Y21 HydrophobicContact CD2-CD2 4.34Å; L17-Y21 PolarHBondContact O-N 3.19Å; L17-A22 WeakPolarHBondContact O-CB 3.4Å; L17-A22 PolarHBondContact O-N 3.39Å
18A83.9Confident83.9Confident62 Ų6295.4 Ų95.451%0.51251%0.513SS..Iπ-helixtrans-74.5-28.1-178.100000113.6S15S15-A18 PolarHBondContact O-N 2.96Å
19S80.6Confident85.2Confident67 Ų6797.5 Ų97.547%0.46952%0.521SS..Iπ-helixtrans-96.2-26-17356.80000115S15 P16S15-S19 PolarHBondContact O-N 2.58Å; S15-S19 PolarHBondContact O-OG 3Å; P16-S19 WeakPolarHBondContact CA-OG 3.4Å; P16-S19 PolarHBondContact O-N 3.46Å
20R84.4Confident86Confident204 Ų204102.8 Ų102.877%0.7754%0.537SS*.Iπ-helixtrans-125.7-33.3-174-72.5-172.6162.9-176-3.8115.1P16P16-R20 PolarHBondContact O-N 2.79Å
21Y89.9Confident86.8Confident172 Ų17298.5 Ų98.568%0.67551%0.51SS*.Iπ-helixtrans-109.7-35.2-165.1-59.5-63.1000114P16 L17P16-Y21 HydrophobicContact CB-CD2 4.47Å; P16-Y21 HydrophobicContact CB-CE2 4.15Å; P16-Y21 VanDerWaalsContact O-CD2 3.27Å; P16-Y21 WeakPolarHBondContact O-CD2 3.27Å; L17-Y21 HydrophobicContact CD2-CD2 4.34Å; L17-Y21 PolarHBondContact O-N 3.19Å
22A90.8Very high87.3Confident42 Ų4296.1 Ų96.135%0.34750%0.498SS..SBendtrans-84.4147.2-176.800000112L17L17-A22 WeakPolarHBondContact O-CB 3.4Å; L17-A22 PolarHBondContact O-N 3.39Å
23S91.6Very high87.8Confident52 Ų52101.8 Ų101.836%0.36451%0.508SS..  trans-70.5154.8173.387.60000111.1E25 M26 C27S23-E25 WeakPolarHBondContact CB-OE2 3.28Å; S23-E25 PolarHBondContact O-N 3.32Å; S23-E25 PolarHBondContact OG-OE2 3.18Å; S23-M26 PolarHBondContact O-N 3.07Å; S23-M26 VanDerWaalsContact O-N 3.15Å; S23-M26 PolarHBondContact OG-N 3.49Å; S23-C27 PolarHBondContact O-N 2.88Å; S23-C27 PolarHBondContact O-SG 3.3Å
24P87.3Confident88.6Confident100 Ų10096.2 Ų96.265%0.64949%0.486SS*.Hα-helixtrans-56.6-35.5177.3-24.534.4000113.3F28P24-F28 PolarHBondContact O-N 3.32Å
25E91.3Very high89.2Confident127 Ų12795 Ų9559%0.59348%0.483SS*.Hα-helixtrans-67.4-43.8178.6-54.173.8-159.600110.9S23 F28 V29S23-E25 WeakPolarHBondContact CB-OE2 3.28Å; S23-E25 PolarHBondContact O-N 3.32Å; S23-E25 PolarHBondContact OG-OE2 3.18Å; E25-F28 WeakPolarHBondContact O-CB 3.45Å; E25-F28 PolarHBondContact O-N 3.25Å; E25-V29 WeakPolarHBondContact O-CG2 3.47Å; E25-V29 PolarHBondContact O-N 2.7Å
26M92Very high89.7Confident100 Ų10097.4 Ų97.449%0.49349%0.488SS..Hα-helixtrans-64.4-43.5176.9-170.466.477.600111.1S23 F28 V29 F30S23-M26 PolarHBondContact O-N 3.07Å; S23-M26 VanDerWaalsContact O-N 3.15Å; S23-M26 PolarHBondContact OG-N 3.49Å; M26-F28 PolarHBondContact O-N 2.89Å; M26-V29 PolarHBondContact O-N 2.95Å; M26-F30 HydrophobicContact CG-CD2 4.22Å; M26-F30 HydrophobicContact CG-CE2 4.11Å; M26-F30 WeakPolarHBondContact O-CD2 3.38Å; M26-F30 PolarHBondContact O-N 2.89Å; M26-F30 HydrophobicContact SD-CD2 4.2Å; M26-F30 HydrophobicContact SD-CE2 3.61Å
27C89.3Confident90.3Very high42 Ų42101.9 Ų101.928%0.28450%0.496SS..Hα-helixtrans-59.6-35.8174.1-70.90000112.1S23 S31S23-C27 PolarHBondContact O-N 2.88Å; S23-C27 PolarHBondContact O-SG 3.3Å; C27-S31 PolarHBondContact O-N 3.32Å; C27-S31 VanDerWaalsContact O-N 3.14Å
28F91.2Very high90.7Very high81 Ų8198.4 Ų98.436%0.35548%0.48SS..Hα-helixtrans-68.3-41.3176.2177.2-104.7000112.7P24 E25 M26 F30 S31 Y34P24-F28 PolarHBondContact O-N 3.32Å; E25-F28 WeakPolarHBondContact O-CB 3.45Å; E25-F28 PolarHBondContact O-N 3.25Å; M26-F28 PolarHBondContact O-N 2.89Å; F28-F30 PolarHBondContact O-N 3.34Å; F28-S31 VanDerWaalsContact O-CB 3.24Å; F28-S31 WeakPolarHBondContact O-CB 3.34Å; F28-S31 PolarHBondContact O-N 3.02Å; F28-S31 PolarHBondContact O-OG 3.49Å; F28-Y34 HydrophobicContact CD1-CD2 4.3Å; F28-Y34 AromaticContact CE1-CD2 3.61Å; F28-Y34 HydrophobicContact CE1-CD2 3.61Å; F28-Y34 HydrophobicContact CE1-CE2 4.31Å; F28-Y34 HydrophobicContact CE1-CG 4.4Å; F28-Y34 HydrophobicContact CZ-CD2 4.04Å; F28-Y34 VanDerWaalsContact O-CB 3.22Å; F28-Y34 WeakPolarHBondContact O-CB 3.16Å
29V92.7Very high91.3Very high68 Ų68101.7 Ų101.741%0.41248%0.48SS..Hα-helixtrans-58.3-39.1177172.30000111.3E25 M26 S31 Y34E25-V29 WeakPolarHBondContact O-CG2 3.47Å; E25-V29 PolarHBondContact O-N 2.7Å; M26-V29 PolarHBondContact O-N 2.95Å; V29-S31 VanDerWaalsContact C-N 3.33Å; V29-Y34 HydrophobicContact CG1-CE1 4.39Å; V29-Y34 WeakPolarHBondContact O-CD1 3.48Å
30F89.6Confident92.1Very high165 Ų165107.9 Ų107.972%0.72449%0.492SS*.THydrogen-bonded Turntrans-89.67.9176.9-65.6-70.4000114.3M26 F28M26-F30 HydrophobicContact CG-CD2 4.22Å; M26-F30 HydrophobicContact CG-CE2 4.11Å; M26-F30 WeakPolarHBondContact O-CD2 3.38Å; M26-F30 PolarHBondContact O-N 2.89Å; M26-F30 HydrophobicContact SD-CD2 4.2Å; M26-F30 HydrophobicContact SD-CE2 3.61Å; F28-F30 PolarHBondContact O-N 3.34Å
31S89.5Confident92.7Very high31 Ų31101.7 Ų101.722%0.21747%0.472CS..SBendtrans-75.5151178.473.30000112.1C27 F28 V29 R33 Y34 K35C27-S31 PolarHBondContact O-N 3.32Å; C27-S31 VanDerWaalsContact O-N 3.14Å; F28-S31 VanDerWaalsContact O-CB 3.24Å; F28-S31 WeakPolarHBondContact O-CB 3.34Å; F28-S31 PolarHBondContact O-N 3.02Å; F28-S31 PolarHBondContact O-OG 3.49Å; V29-S31 VanDerWaalsContact C-N 3.33Å; S31-R33 PolarHBondContact O-N 2.98Å; S31-Y34 PolarHBondContact O-N 3.33Å; S31-Y34 VanDerWaalsContact O-N 3.1Å; S31-Y34 PolarHBondContact OG-N 2.84Å; S31-K35 PolarHBondContact O-N 3.47Å
32D91.8Very high93Very high99 Ų9997.8 Ų97.853%0.52946%0.463SS..Hα-helixtrans-57.8-35.6174.1-78.9-37.1000112.4Y34 K35 F36D32-Y34 VanDerWaalsContact C-N 3.34Å; D32-Y34 PolarHBondContact O-N 2.94Å; D32-K35 PolarHBondContact O-N 3.25Å; D32-K35 IonicContact OD1-NZ 2.7Å; D32-K35 PolarHBondContact OD1-NZ 3.45Å; D32-F36 HydrophobicContact CB-CD2 4.19Å; D32-F36 HydrophobicContact CB-CE2 3.82Å; D32-F36 WeakPolarHBondContact O-CD2 3.31Å; D32-F36 WeakPolarHBondContact O-CG 3.44Å; D32-F36 PolarHBondContact O-N 2.89Å
33R92.4Very high93.3Very high192 Ų192104.4 Ų104.473%0.72548%0.479SS*.Hα-helixtrans-60-44.9176.7-176.4176.6176.5-128.4-0111.5S31 R37S31-R33 PolarHBondContact O-N 2.98Å; R33-R37 WeakPolarHBondContact O-CB 3.21Å; R33-R37 PolarHBondContact O-N 3.01Å
34Y93.8Very high93.5Very high87 Ų87106.6 Ų106.634%0.34149%0.486SS..Hα-helixtrans-69-45.2178.2-170.3-98.7000110.9F28 V29 S31 D32 F36 R37 T38F28-Y34 HydrophobicContact CD1-CD2 4.3Å; F28-Y34 AromaticContact CE1-CD2 3.61Å; F28-Y34 HydrophobicContact CE1-CD2 3.61Å; F28-Y34 HydrophobicContact CE1-CE2 4.31Å; F28-Y34 HydrophobicContact CE1-CG 4.4Å; F28-Y34 HydrophobicContact CZ-CD2 4.04Å; F28-Y34 VanDerWaalsContact O-CB 3.22Å; F28-Y34 WeakPolarHBondContact O-CB 3.16Å; V29-Y34 HydrophobicContact CG1-CE1 4.39Å; V29-Y34 WeakPolarHBondContact O-CD1 3.48Å; S31-Y34 PolarHBondContact O-N 3.33Å; S31-Y34 VanDerWaalsContact O-N 3.1Å; S31-Y34 PolarHBondContact OG-N 2.84Å; D32-Y34 VanDerWaalsContact C-N 3.34Å; D32-Y34 PolarHBondContact O-N 2.94Å; Y34-F36 PolarHBondContact O-N 3.19Å; Y34-R37 PolarHBondContact O-N 2.98Å; Y34-T38 PolarHBondContact O-N 3.09Å; Y34-T38 PolarHBondContact O-OG1 2.98Å
35K93.3Very high93.9Very high76 Ų76108 Ų10833%0.3348%0.478SS..Hα-helixtrans-51.1-54.7175.7-175.4-176.477.1-162.80112.6S31 D32 R37 T38 W39S31-K35 PolarHBondContact O-N 3.47Å; D32-K35 PolarHBondContact O-N 3.25Å; D32-K35 IonicContact OD1-NZ 2.7Å; D32-K35 PolarHBondContact OD1-NZ 3.45Å; K35-R37 PolarHBondContact O-N 2.88Å; K35-T38 PolarHBondContact O-N 3.43Å; K35-W39 HydrophobicContact CD-CH2 4.1Å; K35-W39 HydrophobicContact CD-CZ2 3.78Å; K35-W39 HydrophobicContact CG-CD2 4.29Å; K35-W39 HydrophobicContact CG-CH2 4.37Å; K35-W39 HydrophobicContact CG-CZ2 3.75Å; K35-W39 PolarHBondContact O-N 3.39Å
36F96.8Very high94.1Very high97 Ų97105.8 Ų105.843%0.42547%0.47SS..Hα-helixtrans-70-32.8-176.5-63.7-52000113.2D32 Y34 W39 R40D32-F36 HydrophobicContact CB-CD2 4.19Å; D32-F36 HydrophobicContact CB-CE2 3.82Å; D32-F36 WeakPolarHBondContact O-CD2 3.31Å; D32-F36 WeakPolarHBondContact O-CG 3.44Å; D32-F36 PolarHBondContact O-N 2.89Å; Y34-F36 PolarHBondContact O-N 3.19Å; F36-W39 AromaticContact CD1-CE3 3.83Å; F36-W39 HydrophobicContact CD1-CE3 3.83Å; F36-W39 AromaticContact CD1-CZ3 3.97Å; F36-W39 HydrophobicContact CD1-CZ3 3.97Å; F36-W39 HydrophobicContact CE1-CE3 4.16Å; F36-W39 HydrophobicContact CE1-CH2 4.5Å; F36-W39 AromaticContact CE1-CZ3 3.8Å; F36-W39 HydrophobicContact CE1-CZ3 3.8Å; F36-R40 WeakPolarHBondContact O-CG 3.43Å; F36-R40 PolarHBondContact O-N 3.32Å
37R96.3Very high94.2Very high158 Ų158103.5 Ų103.560%0.59647%0.467SS*.Hα-helixtrans-60.6-50171.1176.5-174.3172.7-177.4-0.1110.5R33 Y34 K35 W39 R40 Q41R33-R37 WeakPolarHBondContact O-CB 3.21Å; R33-R37 PolarHBondContact O-N 3.01Å; Y34-R37 PolarHBondContact O-N 2.98Å; K35-R37 PolarHBondContact O-N 2.88Å; R37-W39 VanDerWaalsContact C-N 3.32Å; R37-W39 PolarHBondContact O-N 3.23Å; R37-R40 PolarHBondContact O-N 3.27Å; R37-Q41 PolarHBondContact O-N 3.02Å; R37-Q41 VanDerWaalsContact O-N 3.08Å
38T96.6Very high94.4Very high45 Ų45106.1 Ų106.128%0.27648%0.475SS..Hα-helixtrans-62.1-40.8-178-56.60000111.3Y34 K35 Q41 L42Y34-T38 PolarHBondContact O-N 3.09Å; Y34-T38 PolarHBondContact O-OG1 2.98Å; K35-T38 PolarHBondContact O-N 3.43Å; T38-Q41 WeakPolarHBondContact O-CB 3.47Å; T38-Q41 PolarHBondContact O-N 3.26Å; T38-L42 WeakPolarHBondContact O-CG 3.44Å; T38-L42 PolarHBondContact O-N 2.99Å
39W97.1Very high94.4Very high131 Ų131105 Ų10550%0.49648%0.481SS..Hα-helixtrans-60.9-47.8175.4-68.1-3.4000112.6K35 F36 R37 Q41 L42 W43K35-W39 HydrophobicContact CD-CH2 4.1Å; K35-W39 HydrophobicContact CD-CZ2 3.78Å; K35-W39 HydrophobicContact CG-CD2 4.29Å; K35-W39 HydrophobicContact CG-CH2 4.37Å; K35-W39 HydrophobicContact CG-CZ2 3.75Å; K35-W39 PolarHBondContact O-N 3.39Å; F36-W39 AromaticContact CD1-CE3 3.83Å; F36-W39 HydrophobicContact CD1-CE3 3.83Å; F36-W39 AromaticContact CD1-CZ3 3.97Å; F36-W39 HydrophobicContact CD1-CZ3 3.97Å; F36-W39 HydrophobicContact CE1-CE3 4.16Å; F36-W39 HydrophobicContact CE1-CH2 4.5Å; F36-W39 AromaticContact CE1-CZ3 3.8Å; F36-W39 HydrophobicContact CE1-CZ3 3.8Å; R37-W39 VanDerWaalsContact C-N 3.32Å; R37-W39 PolarHBondContact O-N 3.23Å; W39-Q41 PolarHBondContact O-N 3.49Å; W39-L42 WeakPolarHBondContact O-CB 3.36Å; W39-L42 PolarHBondContact O-N 3.45Å; W39-L42 VanDerWaalsContact O-N 3.09Å; W39-W43 PolarHBondContact O-N 3.46Å
40R96.9Very high94.3Very high196 Ų196107.2 Ų107.274%0.7449%0.487SS*.Hα-helixtrans-59.1-35.4177.2-70.2174-175.6-174.10.9112.2F36 R37 W43 L44F36-R40 WeakPolarHBondContact O-CG 3.43Å; F36-R40 PolarHBondContact O-N 3.32Å; R37-R40 PolarHBondContact O-N 3.27Å; R40-W43 PolarHBondContact O-N 3.27Å; R40-L44 PolarHBondContact O-N 3.08Å
41Q95.9Very high94.1Very high75 Ų75106.3 Ų106.335%0.3549%0.485SS..Hα-helixtrans-67.1-41.7175.8-175169.90.600111.9R37 T38 W39 W43 L44 W45R37-Q41 PolarHBondContact O-N 3.02Å; R37-Q41 VanDerWaalsContact O-N 3.08Å; T38-Q41 WeakPolarHBondContact O-CB 3.47Å; T38-Q41 PolarHBondContact O-N 3.26Å; W39-Q41 PolarHBondContact O-N 3.49Å; Q41-W43 VanDerWaalsContact C-N 3.35Å; Q41-W43 PolarHBondContact O-N 3.32Å; Q41-L44 PolarHBondContact O-N 3.26Å; Q41-W45 HydrophobicContact CG-CD2 4.13Å; Q41-W45 HydrophobicContact CG-CH2 4.11Å; Q41-W45 HydrophobicContact CG-CZ2 3.72Å; Q41-W45 HydrophobicContact CG-CZ3 4.49Å; Q41-W45 PolarHBondContact O-N 3.22Å
42L97.4Very high93.9Very high90 Ų90107.3 Ų107.347%0.47150%0.495SS..Hα-helixtrans-61.5-42.6173.7-68.6169.1000111.9T38 W39 L44 W45 L46T38-L42 WeakPolarHBondContact O-CG 3.44Å; T38-L42 PolarHBondContact O-N 2.99Å; W39-L42 WeakPolarHBondContact O-CB 3.36Å; W39-L42 PolarHBondContact O-N 3.45Å; W39-L42 VanDerWaalsContact O-N 3.09Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L42-L44 PolarHBondContact O-N 3.15Å; L42-W45 HydrophobicContact CD2-CE3 3.8Å; L42-W45 HydrophobicContact CD2-CZ3 3.89Å; L42-W45 PolarHBondContact O-N 2.7Å; L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 PolarHBondContact O-N 3.06Å
43W96.4Very high93.2Very high181 Ų181105.9 Ų105.969%0.68649%0.492SS*.Hα-helixtrans-62-39.5175.6-76.5107.7000112.6W39 R40 Q41 L46 A47W39-W43 PolarHBondContact O-N 3.46Å; R40-W43 PolarHBondContact O-N 3.27Å; Q41-W43 VanDerWaalsContact C-N 3.35Å; Q41-W43 PolarHBondContact O-N 3.32Å; W43-L46 HydrophobicContact CE3-CD2 4.14Å; W43-L46 HydrophobicContact CZ3-CD2 4.13Å; W43-L46 PolarHBondContact O-N 3.32Å; W43-A47 PolarHBondContact O-N 3.35Å
44L96.3Very high92Very high97 Ų97100.8 Ų100.851%0.50848%0.483SS..Hα-helixtrans-63.7-47.5175.6-178.264.3000111R40 Q41 L42 L46 A47 E48R40-L44 PolarHBondContact O-N 3.08Å; Q41-L44 PolarHBondContact O-N 3.26Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L42-L44 PolarHBondContact O-N 3.15Å; L44-L46 VanDerWaalsContact C-N 3.29Å; L44-L46 PolarHBondContact O-N 3.27Å; L44-A47 PolarHBondContact O-N 2.99Å; L44-E48 WeakPolarHBondContact O-CG 3.44Å; L44-E48 PolarHBondContact O-N 3.43Å
45W95.8Very high90.6Very high129 Ų129100.6 Ų100.649%0.48950%0.499SS..Hα-helixtrans-61.6-37.9176.9-66.6-23.7000112.9Q41 L42 E48 A49Q41-W45 HydrophobicContact CG-CD2 4.13Å; Q41-W45 HydrophobicContact CG-CH2 4.11Å; Q41-W45 HydrophobicContact CG-CZ2 3.72Å; Q41-W45 HydrophobicContact CG-CZ3 4.49Å; Q41-W45 PolarHBondContact O-N 3.22Å; L42-W45 HydrophobicContact CD2-CE3 3.8Å; L42-W45 HydrophobicContact CD2-CZ3 3.89Å; L42-W45 PolarHBondContact O-N 2.7Å; W45-E48 PolarHBondContact O-N 3.18Å; W45-A49 WeakPolarHBondContact O-CB 3.16Å; W45-A49 PolarHBondContact O-N 2.95Å
46L95.7Very high89Confident81 Ų81103.5 Ų103.542%0.42452%0.518SS..Hα-helixtrans-61.9-47.4174.5-17963.6000110.8L42 W43 L44 E48 A49 E50L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 PolarHBondContact O-N 3.06Å; W43-L46 HydrophobicContact CE3-CD2 4.14Å; W43-L46 HydrophobicContact CZ3-CD2 4.13Å; W43-L46 PolarHBondContact O-N 3.32Å; L44-L46 VanDerWaalsContact C-N 3.29Å; L44-L46 PolarHBondContact O-N 3.27Å; L46-E48 PolarHBondContact O-N 3.47Å; L46-A49 PolarHBondContact O-N 3Å; L46-E50 HydrophobicContact CD1-CG 4.48Å; L46-E50 WeakPolarHBondContact O-CG 3.33Å; L46-E50 PolarHBondContact O-N 2.94Å
47A94.6Very high87.2Confident52 Ų52101.9 Ų101.943%0.4351%0.512SS..Hα-helixtrans-63.7-39.1178.100000112.6W43 L44 Q51W43-A47 PolarHBondContact O-N 3.35Å; L44-A47 PolarHBondContact O-N 2.99Å; A47-Q51 VanDerWaalsContact O-CB 3.31Å; A47-Q51 WeakPolarHBondContact O-CB 3.15Å; A47-Q51 PolarHBondContact O-N 3.19Å
48E93.4Very high85.1Confident97 Ų9796.4 Ų96.445%0.45350%0.498SS..Hα-helixtrans-62.2-42.9174-73.7171.1-179.500111.4L44 W45 L46 Q51 A52L44-E48 WeakPolarHBondContact O-CG 3.44Å; L44-E48 PolarHBondContact O-N 3.43Å; W45-E48 PolarHBondContact O-N 3.18Å; L46-E48 PolarHBondContact O-N 3.47Å; E48-Q51 PolarHBondContact O-N 3.27Å; E48-A52 WeakPolarHBondContact O-CB 3.44Å; E48-A52 PolarHBondContact O-N 2.81Å
49A91.3Very high83Confident58 Ų58103.7 Ų103.748%0.47952%0.52SS..Hα-helixtrans-67.8-43.6177.700000112.4W45 L46 Q51 A52 C53W45-A49 WeakPolarHBondContact O-CB 3.16Å; W45-A49 PolarHBondContact O-N 2.95Å; L46-A49 PolarHBondContact O-N 3Å; A49-Q51 VanDerWaalsContact C-N 3.34Å; A49-A52 PolarHBondContact O-N 2.7Å; A49-C53 WeakPolarHBondContact O-CB 3.22Å; A49-C53 PolarHBondContact O-N 3.14Å
50E89.1Confident81.1Confident114 Ų114103.3 Ų103.353%0.53352%0.524SS..Hα-helixtrans-63.2-39.4175.5-75.8-179.1174.800111.7L46 T54L46-E50 HydrophobicContact CD1-CG 4.48Å; L46-E50 WeakPolarHBondContact O-CG 3.33Å; L46-E50 PolarHBondContact O-N 2.94Å; E50-T54 WeakPolarHBondContact O-CB 3.46Å; E50-T54 PolarHBondContact O-N 3.27Å; E50-T54 PolarHBondContact O-OG1 3.39Å
51Q86.9Confident79.5Confident146 Ų14697.3 Ų97.368%0.68251%0.509SS*.Hα-helixtrans-63.3-45.5174.9-179.3176.643.800111.7A47 E48 A49 T54 A55A47-Q51 VanDerWaalsContact O-CB 3.31Å; A47-Q51 WeakPolarHBondContact O-CB 3.15Å; A47-Q51 PolarHBondContact O-N 3.19Å; E48-Q51 PolarHBondContact O-N 3.27Å; A49-Q51 VanDerWaalsContact C-N 3.34Å; Q51-T54 PolarHBondContact O-N 3.18Å; Q51-A55 PolarHBondContact O-N 3.4Å
52A83.4Confident77.8Confident53 Ų5398.3 Ų98.344%0.43852%0.516SS..Hα-helixtrans-62.3-49.6177.300000111.2E48 A49 T54 A55 D56E48-A52 WeakPolarHBondContact O-CB 3.44Å; E48-A52 PolarHBondContact O-N 2.81Å; A49-A52 PolarHBondContact O-N 2.7Å; A52-T54 VanDerWaalsContact C-N 3.26Å; A52-T54 PolarHBondContact O-N 3.47Å; A52-A55 PolarHBondContact O-N 3.23Å; A52-D56 PolarHBondContact O-N 2.99Å
53C78.1Confident76Confident68 Ų6898.8 Ų98.846%0.45952%0.519SS..Hα-helixtrans-56.3-44.4175.7-157.10000110.5A49 A55 D56 H57A49-C53 WeakPolarHBondContact O-CB 3.22Å; A49-C53 PolarHBondContact O-N 3.14Å; C53-A55 VanDerWaalsContact C-N 3.34Å; C53-A55 PolarHBondContact O-N 3.1Å; C53-D56 WeakPolarHBondContact O-CA 3.4Å; C53-D56 WeakPolarHBondContact O-CB 3.37Å; C53-D56 PolarHBondContact O-N 3.24Å; C53-H57 PolarHBondContact O-CD2 3.27Å; C53-H57 PolarHBondContact O-N 3Å; C53-H57 PolarHBondContact O-NE2 3Å; C53-H57 PolarHBondContact SG-CD2 2.65Å; C53-H57 PolarHBondContact SG-NE2 2.95Å
54T66.8Low74.2Confident86 Ų8694.4 Ų94.453%0.52852%0.516SS..Hα-helixtrans-66.5-30.2-180-530000115.1E50 Q51 A52 D56 H57E50-T54 WeakPolarHBondContact O-CB 3.46Å; E50-T54 PolarHBondContact O-N 3.27Å; E50-T54 PolarHBondContact O-OG1 3.39Å; Q51-T54 PolarHBondContact O-N 3.18Å; A52-T54 VanDerWaalsContact C-N 3.26Å; A52-T54 PolarHBondContact O-N 3.47Å; T54-D56 VanDerWaalsContact C-N 3.28Å; T54-H57 WeakPolarHBondContact CA-CE1 3.12Å; T54-H57 WeakPolarHBondContact CA-NE2 2.97Å; T54-H57 PolarHBondContact N-NE2 3.41Å; T54-H57 PolarHBondContact OG1-CE1 3.18Å; T54-H57 VanDerWaalsContact OG1-CE1 3.3Å
55A64.1Low72.7Confident83 Ų8395.3 Ų95.369%0.68652%0.521SS*.Hα-helixtrans-67.9-31.1169.800000112.2Q51 A52 C53Q51-A55 PolarHBondContact O-N 3.4Å; A52-A55 PolarHBondContact O-N 3.23Å; C53-A55 VanDerWaalsContact C-N 3.34Å; C53-A55 PolarHBondContact O-N 3.1Å
56D59.8Low71.1Confident136 Ų13694.7 Ų94.773%0.72753%0.527SS*.Hα-helixtrans-85.5-36.7-175.9-67.6-29.7000113.2A52 C53 T54 S58A52-D56 PolarHBondContact O-N 2.99Å; C53-D56 WeakPolarHBondContact O-CA 3.4Å; C53-D56 WeakPolarHBondContact O-CB 3.37Å; C53-D56 PolarHBondContact O-N 3.24Å; T54-D56 VanDerWaalsContact C-N 3.28Å; D56-S58 VanDerWaalsContact C-N 3.35Å; D56-S58 PolarHBondContact O-N 3.44Å
57H58.5Low69.4Low63 Ų6395.2 Ų95.229%0.29254%0.537SS..  trans-85.979.5176.147.774.3000111.1C53 T54 W59C53-H57 PolarHBondContact O-CD2 3.27Å; C53-H57 PolarHBondContact O-N 3Å; C53-H57 PolarHBondContact O-NE2 3Å; C53-H57 PolarHBondContact SG-CD2 2.65Å; C53-H57 PolarHBondContact SG-NE2 2.95Å; T54-H57 WeakPolarHBondContact CA-CE1 3.12Å; T54-H57 WeakPolarHBondContact CA-NE2 2.97Å; T54-H57 PolarHBondContact N-NE2 3.41Å; T54-H57 PolarHBondContact OG1-CE1 3.18Å; T54-H57 VanDerWaalsContact OG1-CE1 3.3Å; H57-W59 PolarHBondContact O-N 3.49Å
58S52.5Low67.7Low44 Ų4495.5 Ų95.531%0.30855%0.546SS..  trans-53.2131155.560.60000108D56 E60 T61D56-S58 VanDerWaalsContact C-N 3.35Å; D56-S58 PolarHBondContact O-N 3.44Å; S58-E60 VanDerWaalsContact CB-OE1 3.28Å; S58-E60 WeakPolarHBondContact CB-OE1 3.24Å; S58-E60 PolarHBondContact O-N 3.27Å; S58-E60 VanDerWaalsContact OG-CG 3.27Å; S58-E60 WeakPolarHBondContact OG-CG 3.41Å; S58-E60 PolarHBondContact OG-OE1 2.99Å; S58-T61 PolarHBondContact O-N 3.03Å
59W52.8Low66Low197 Ų19795.2 Ų95.275%0.74656%0.555SS**Hα-helixtrans-55.5-13.4-172.154.4-90.9000114.5H57 T61 L63H57-W59 PolarHBondContact O-N 3.49Å; W59-T61 VanDerWaalsContact C-N 3.32Å; W59-L63 HydrophobicContact CE3-CD1 3.75Å; W59-L63 HydrophobicContact CZ3-CD1 3.91Å; W59-L63 PolarHBondContact O-N 3.18Å
60E58Low64Low123 Ų12399.8 Ų99.858%0.57557%0.57SS**Hα-helixtrans-64.2-32.8170.468.2-161141.100113.1S58 S64S58-E60 VanDerWaalsContact CB-OE1 3.28Å; S58-E60 WeakPolarHBondContact CB-OE1 3.24Å; S58-E60 PolarHBondContact O-N 3.27Å; S58-E60 VanDerWaalsContact OG-CG 3.27Å; S58-E60 WeakPolarHBondContact OG-CG 3.41Å; S58-E60 PolarHBondContact OG-OE1 2.99Å; E60-S64 PolarHBondContact O-N 3.3Å
61T62.6Low62.3Low70 Ų70103.2 Ų103.243%0.42959%0.586SS.*Hα-helixtrans-74.3-36.9-178.6-550000111.7S58 W59 S64 L65S58-T61 PolarHBondContact O-N 3.03Å; W59-T61 VanDerWaalsContact C-N 3.32Å; T61-S64 PolarHBondContact O-N 3.31Å; T61-L65 HydrophobicContact CG2-CD1 4.39Å; T61-L65 WeakPolarHBondContact O-CG 3.27Å; T61-L65 PolarHBondContact O-N 2.56Å; T61-L65 VanDerWaalsContact O-N 3.12Å
62L60Low60.5Low96 Ų9699.3 Ų99.350%0.50359%0.585SS.*Hα-helixtrans-68-37.6177.9-67.4172.5000112.2S64 L65 D66L62-S64 VanDerWaalsContact C-N 3.34Å; L62-L65 PolarHBondContact O-N 3.16Å; L62-D66 PolarHBondContact O-N 2.79Å
63L59.8Low58.5Low100 Ų100102.6 Ų102.652%0.52460%0.604SS.*Hα-helixtrans-66.1-35.8174.6-77.4163.8000112.3W59 S67W59-L63 HydrophobicContact CE3-CD1 3.75Å; W59-L63 HydrophobicContact CZ3-CD1 3.91Å; W59-L63 PolarHBondContact O-N 3.18Å; L63-S67 WeakPolarHBondContact O-CB 3.47Å; L63-S67 PolarHBondContact O-N 3.09Å; L63-S67 VanDerWaalsContact O-N 3.1Å; L63-S67 PolarHBondContact O-OG 2.9Å
64S58.5Low57.4Low89 Ų89104.8 Ų104.862%0.62262%0.618SS**Hα-helixtrans-69.1-35.9176.1-162.90000112.1E60 T61 L62 G68E60-S64 PolarHBondContact O-N 3.3Å; T61-S64 PolarHBondContact O-N 3.31Å; L62-S64 VanDerWaalsContact C-N 3.34Å; S64-G68 PolarHBondContact O-N 3.48Å
65L64.9Low56.6Low116 Ų116109.8 Ų109.861%0.60764%0.635SS**Hα-helixtrans-70.6-40.7175.1-71.3167.2000112.9T61 L62 S67 G68T61-L65 HydrophobicContact CG2-CD1 4.39Å; T61-L65 WeakPolarHBondContact O-CG 3.27Å; T61-L65 PolarHBondContact O-N 2.56Å; T61-L65 VanDerWaalsContact O-N 3.12Å; L62-L65 PolarHBondContact O-N 3.16Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 3.35Å; L65-G68 PolarHBondContact O-N 2.96Å
66D62.5Low56.1Low117 Ų117113.4 Ų113.463%0.62664%0.642SS**Hα-helixtrans-63.9-38.9175.3-172.659000111.6L62 G68 S69L62-D66 PolarHBondContact O-N 2.79Å; D66-G68 VanDerWaalsContact C-N 3.26Å; D66-G68 PolarHBondContact O-N 3.15Å; D66-S69 PolarHBondContact O-N 3.32Å
67S59.5Low55.4Low91 Ų91115.5 Ų115.564%0.63665%0.648SS**Hα-helixtrans-66.3-23.7177.3-58.50000113.8L63 L65L63-S67 WeakPolarHBondContact O-CB 3.47Å; L63-S67 PolarHBondContact O-N 3.09Å; L63-S67 VanDerWaalsContact O-N 3.1Å; L63-S67 PolarHBondContact O-OG 2.9Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 3.35Å
68G59.2Low54.8Low59 Ų59116.8 Ų116.861%0.60867%0.669SS**Hα-helixtrans-85.4-13.2178.500000115S64 L65 D66S64-G68 PolarHBondContact O-N 3.48Å; L65-G68 PolarHBondContact O-N 2.96Å; D66-G68 VanDerWaalsContact C-N 3.26Å; D66-G68 PolarHBondContact O-N 3.15Å
69S56.9Low54Low91 Ų91120.6 Ų120.664%0.63669%0.694SS**THydrogen-bonded Turntrans-85.3-8.7-172.1-164.20000114.2D66 H71D66-S69 PolarHBondContact O-N 3.32Å; S69-H71 VanDerWaalsContact C-N 3.35Å; S69-H71 PolarHBondContact O-N 3.45Å
70L49.3Very low54.4Low154 Ų154116.3 Ų116.381%0.80669%0.692SS**THydrogen-bonded Turntrans-87.19.2-177.3-63.4179.7000115.1
71H54.8Low53.5Low185 Ų185125.6 Ų125.686%0.85672%0.722SS**SBendtrans-100.498.4163.5-105.972.3000109.5S69S69-H71 VanDerWaalsContact C-N 3.35Å; S69-H71 PolarHBondContact O-N 3.45Å
72G49.4Very low53.1Low65 Ų65128.4 Ų128.467%0.6774%0.736SS**  trans-61150.6-172.700000115P74G72-P74 WeakPolarHBondContact O-CD 3.46Å
73S40.8Very low52.7Low121 Ų121130.1 Ų130.185%0.84675%0.748SS**  trans-91.2113.7161.2-69.80000109.7
74P53.8Low52.3Low114 Ų114131.7 Ų131.774%0.7476%0.761SS**  trans-76.4134.3154.631.4-28.2000109.1G72G72-P74 WeakPolarHBondContact O-CD 3.46Å
75E50.5Low52Low191 Ų191134.2 Ų134.289%0.89377%0.769SS**  trans29111.9165.8-82.8156.9118.700119.2
76L54.3Low51.2Low159 Ų159135.4 Ų135.483%0.83278%0.779SS**  trans-49.3141170.6-48.6170000111.9
77E44.8Very low50.4Low181 Ų181136.6 Ų136.685%0.84679%0.789SS**  trans-161.9118.8140-94.2-45.512800111.6
78A46.1Very low49.8Very low89 Ų89139.9 Ų139.974%0.73680%0.8SS**  trans56.5114.4155.900000121.2
79C35.8Very low49Very low124 Ų124146.1 Ų146.184%0.83882%0.815SS**  trans-39.2151.4149.3-1410000111.3
80P60.4Low48.4Very low108 Ų108150.7 Ų150.770%0.70183%0.83SS**  cis-144.5-174.915.735.6-11.9000116
81R40.6Very low48.3Very low317 Ų317150.4 Ų150.4100%1.19683%0.832SS**  trans95.10157.8-62.7-150.3178.21731.2118.9

Retrieved 81 of 81 residues in 38.5 ms (Link to these results)