Project name: 58afabb3ee2649f

Status: done

Started: 2025-02-25 14:47:46
Settings
Chain sequence(s) A: MKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFQIRHNIEDGSVQLAEHYQQNTPSANGPCCCP
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:40)
Show buried residues

Aggrescan3D profile | 58afabb3ee2649f | Chain AM1E13D26G39K49I59N69K79E95P110-4-2024ResidueScore
Minimal score value
-3.7105
Maximal score value
1.8403
Average score
-1.0675
Total score value
-127.033

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

Show chain Show residues from to
residue index residue name chain Aggrescan3D score mutation
residue index
residue name
chain
Aggrescan3D score
mutation
1 M A -0.3772
2 K A -2.2274
3 Q A -1.9487
4 H A -1.2708
5 D A -1.4513
6 F A 0.0000
7 F A -0.3670
8 K A -1.7641
9 S A -1.2666
10 A A 0.0000
11 M A -0.8278
12 P A -1.2633
13 E A -1.9271
14 G A 0.0000
15 Y A -1.0194
16 V A -1.1771
17 Q A -1.9778
18 E A -2.7463
19 R A -1.7032
20 T A -0.8671
21 I A 0.0000
22 F A 0.1392
23 F A 0.0000
24 K A -1.6787
25 D A -2.5012
26 D A -2.2811
27 G A 0.0000
28 N A -0.7427
29 Y A -0.4357
30 K A -1.9919
31 T A -2.0332
32 R A -3.1973
33 A A 0.0000
34 E A -2.2836
35 V A 0.0000
36 K A -1.2201
37 F A -0.5103
38 E A -1.0036
39 G A -1.3250
40 D A -1.7937
41 T A -0.6824
42 L A 0.3186
43 V A -0.6021
44 N A -1.5653
45 R A -2.4055
46 I A -0.6870
47 E A -1.9936
48 L A -0.8242
49 K A -1.7100
50 G A -0.6005
51 I A -0.5586
52 D A -1.8995
53 F A -2.0643
54 K A -3.5118
55 E A -3.5985
56 D A -3.3413
57 G A -2.5654
58 N A -1.9540
59 I A -0.8631
60 L A -1.0518
61 G A -1.8543
62 H A -1.6536
63 K A -2.0045
64 L A -1.0222
65 E A -1.4136
66 Y A 0.2075
67 N A -0.2886
68 Y A 0.4106
69 N A -0.4314
70 S A -0.4418
71 H A -0.6850
72 N A -0.5420
73 V A 1.2198
74 Y A 1.8403
75 I A 1.7193
76 M A 1.0009
77 A A -0.7627
78 D A -2.2348
79 K A -3.1673
80 Q A -3.3086
81 K A -3.7105
82 N A -3.1825
83 G A 0.0000
84 I A 0.0000
85 K A -1.0212
86 V A 0.0000
87 N A -0.3138
88 F A 0.0000
89 Q A -1.0109
90 I A 0.0000
91 R A -0.8153
92 H A -0.5994
93 N A -1.1402
94 I A 0.0000
95 E A -3.1374
96 D A -2.9920
97 G A -1.8801
98 S A -0.8827
99 V A 0.0618
100 Q A 0.0000
101 L A -0.5054
102 A A 0.0000
103 E A -0.5031
104 H A 0.0000
105 Y A -0.3532
106 Q A 0.0000
107 Q A -2.2033
108 N A 0.0000
109 T A -1.2979
110 P A -1.0939
111 S A -0.9791
112 A A -1.2402
113 N A -1.7481
114 G A -1.0679
115 P A -0.6600
116 C A -0.6389
117 C A -0.7298
118 C A -0.4921
119 P A -0.2825
residue index residue name chain Aggrescan3D score
mutation
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Laboratory of Theory of Biopolymers 2018