Project name: d89d369d06fac6f

Status: done

Started: 2024-11-20 17:45:46
Settings
Chain sequence(s) A: SLSAAEADLAGKSWAPVFANKNANGLDFLVALFEKFPDSANFFADFKGKSVADIKASPKLRDVSSRIFTRLNEFVNNAANAGKMSAMLSQFAKEHVGFGVGSAQFENVRSMFPGFVASVAAPPAGADAAWTKLFGLIIDALKAAGK
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                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)
Show buried residues

Minimal score value
-3.5118
Maximal score value
1.2031
Average score
-1.1071
Total score value
-161.6359

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 S A -0.8771
2 L A 0.0000
3 S A -0.6632
4 A A -0.7454
5 A A -0.8135
6 E A -1.5882
7 A A -1.7810
8 D A -2.4942
9 L A -1.7673
10 A A 0.0000
11 G A -1.8341
12 K A -2.2202
13 S A 0.0000
14 W A 0.0000
15 A A -0.5932
16 P A -0.3900
17 V A 0.0000
18 F A -0.2837
19 A A -0.6304
20 N A -1.5364
21 K A -1.5349
22 N A -2.3203
23 A A -1.5780
24 N A -1.2954
25 G A 0.0000
26 L A -1.7698
27 D A -2.0469
28 F A 0.0000
29 L A 0.0000
30 V A 0.0000
31 A A -1.4811
32 L A 0.0000
33 F A 0.0000
34 E A -2.7771
35 K A -2.7478
36 F A -1.8026
37 P A -2.0485
38 D A -2.5748
39 S A 0.0000
40 A A 0.0000
41 N A -1.8685
42 F A 0.0598
43 F A -0.2314
44 A A -0.4505
45 D A -1.4574
46 F A 0.0000
47 K A -2.6536
48 G A -2.1906
49 K A -2.3679
50 S A -1.7050
51 V A -1.3046
52 A A -1.2492
53 D A -2.1357
54 I A 0.0000
55 K A -2.6096
56 A A -1.3769
57 S A -1.6690
58 P A -1.6952
59 K A -2.2869
60 L A 0.0000
61 R A -3.5118
62 D A -3.3790
63 V A 0.0000
64 S A 0.0000
65 S A -2.2557
66 R A -2.5256
67 I A -1.2608
68 F A 0.0000
69 T A -1.6520
70 R A -2.5092
71 L A 0.0000
72 N A -2.0018
73 E A -2.9537
74 F A 0.0000
75 V A 0.0000
76 N A -2.6764
77 N A -1.9811
78 A A 0.0000
79 A A -1.3603
80 N A -1.7728
81 A A -1.1986
82 G A -1.5988
83 K A -2.4036
84 M A 0.0000
85 S A -1.0130
86 A A -0.8714
87 M A -1.0730
88 L A -1.0234
89 S A -1.3515
90 Q A -2.1920
91 F A -1.6495
92 A A 0.0000
93 K A -3.0317
94 E A -2.6673
95 H A -1.3446
96 V A -1.2579
97 G A -0.7643
98 F A 1.2031
99 G A 0.2809
100 V A -0.0391
101 G A -1.0907
102 S A 0.0000
103 A A -1.2267
104 Q A -0.9705
105 F A -1.2417
106 E A -2.1663
107 N A -1.6674
108 V A 0.0000
109 R A -1.5986
110 S A -1.1460
111 M A 0.0000
112 F A 0.0000
113 P A -0.9576
114 G A -0.7715
115 F A 0.0000
116 V A 0.0000
117 A A -0.2337
118 S A -0.0031
119 V A 0.3742
120 A A 0.2659
121 A A 0.0587
122 P A -0.7592
123 P A -0.7547
124 A A -0.5109
125 G A -1.1788
126 A A 0.0000
127 D A -2.1541
128 A A -1.2981
129 A A 0.0000
130 W A 0.0000
131 T A -1.3436
132 K A -1.4205
133 L A 0.0000
134 F A 0.0000
135 G A -1.0855
136 L A -0.7420
137 I A 0.0000
138 I A 0.0000
139 D A -2.4315
140 A A -1.9589
141 L A 0.0000
142 K A -3.0296
143 A A -1.9961
144 A A -2.3259
145 G A -2.0889
146 K A -2.9594
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018