Project name: May

Status: done

Started: 2025-02-24 07:42:39
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Chain sequence(s) A: EQLTKCEVFRELKDLKGYGGVSLPEWVCTTFHTSGYDTQAIVQNNDSTEYGLFQINNKIWCKDDQNPHSSNICNISCDKFLDDDLTDDIMCVKKILDKVGINYWLAHKALCSEKLDQWLCEKL
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                                          (00:03:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:27)
Show buried residues

Minimal score value
-4.1071
Maximal score value
1.0459
Average score
-1.0974
Total score value
-134.9816

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

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 E A -3.4156
2 Q A -2.8058
3 L A -1.5044
4 T A -0.7011
5 K A -0.8205
6 C A -1.0382
7 E A -1.5266
8 V A 0.0000
9 F A -2.0375
10 R A -3.2889
11 E A -3.3555
12 L A 0.0000
13 K A -4.1071
14 D A -3.6332
15 L A 0.0000
16 K A -3.1057
17 G A -1.9262
18 Y A -1.4883
19 G A -1.2289
20 G A -0.9714
21 V A 0.0000
22 S A -1.1729
23 L A 0.0000
24 P A -1.0225
25 E A -0.9110
26 W A 0.0000
27 V A 0.0000
28 C A 0.0000
29 T A 0.0000
30 T A 0.0000
31 F A 0.6898
32 H A 0.4622
33 T A 0.2611
34 S A -0.0644
35 G A -0.2045
36 Y A 0.0000
37 D A -1.8096
38 T A 0.0000
39 Q A -2.2680
40 A A -0.4322
41 I A 0.9612
42 V A 0.6936
43 Q A -1.4946
44 N A -2.5197
45 N A -2.7638
46 D A -2.7978
47 S A -2.0837
48 T A 0.0000
49 E A -0.3581
50 Y A -0.3233
51 G A 0.0000
52 L A 0.0000
53 F A 0.0000
54 Q A 0.0000
55 I A 0.0000
56 N A 0.0000
57 N A 0.0000
58 K A -1.7012
59 I A -0.0343
60 W A 0.0000
61 C A 0.0000
62 K A -3.0728
63 D A -3.0907
64 D A -3.1548
65 Q A -2.9599
66 N A -2.5786
67 P A -2.2391
68 H A -1.9898
69 S A -1.7205
70 S A -0.8033
71 N A -1.0268
72 I A -0.1469
73 C A -0.5945
74 N A -1.3393
75 I A -1.4976
76 S A -2.0773
77 C A 0.0000
78 D A -2.9989
79 K A -3.1240
80 F A 0.0000
81 L A 0.0000
82 D A -3.8102
83 D A -4.0680
84 D A -3.5841
85 L A 0.0000
86 T A -1.7774
87 D A -1.6475
88 D A 0.0000
89 I A 0.0000
90 M A -0.3055
91 C A 0.0000
92 V A 0.0000
93 K A -1.2506
94 K A -1.5294
95 I A 0.0000
96 L A 0.0000
97 D A -2.6784
98 K A -2.2403
99 V A -0.5213
100 G A -0.8625
101 I A -0.4526
102 N A -0.3274
103 Y A 0.2279
104 W A 0.0000
105 L A 1.0459
106 A A 0.5699
107 H A 0.0000
108 K A -1.2993
109 A A -0.1791
110 L A 0.2331
111 C A 0.0000
112 S A -1.5678
113 E A -2.8823
114 K A -3.0939
115 L A -2.2235
116 D A -2.8011
117 Q A -2.1565
118 W A 0.0000
119 L A -0.8320
120 C A -1.3491
121 E A -1.8629
122 K A -1.6845
123 L A 0.1922
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Laboratory of Theory of Biopolymers 2018