Project name: 70ba38a98d7cf7e

Status: done

Started: 2025-08-12 14:01:20
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Chain sequence(s) A: MQVQLVESGGGSVQAGGSLRLSCTASGTKELKYAAFDLGWFRQAPGQEREAVAAIDRDGGITYYADSVKGRFTISRDNAKNTVTLQMNNLKPVDTAIYYCAARRSRNRTYESWGQGTQVTVSGGGGSHHHHHHLEVSGWRLFKKIS
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                                          (00:03:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:10)
Show buried residues

Minimal score value
-3.9834
Maximal score value
1.5705
Average score
-0.9315
Total score value
-136.0054

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 M A 0.1287
2 Q A -1.2155
3 V A 0.0000
4 Q A -1.2535
5 L A 0.0000
6 V A 0.4196
7 E A -0.3301
8 S A -0.7251
9 G A -1.3366
10 G A -1.2703
11 G A -0.9543
12 S A -0.7566
13 V A -0.8879
14 Q A -1.9390
15 A A -1.7583
16 G A -1.9787
17 G A -1.4511
18 S A -1.5602
19 L A -1.4373
20 R A -2.2324
21 L A 0.0000
22 S A -0.6536
23 C A 0.0000
24 T A -0.3898
25 A A 0.0000
26 S A -0.7082
27 G A -0.8960
28 T A -0.5102
29 K A -0.7746
30 E A 0.0000
31 L A 0.0596
32 K A -1.4162
33 Y A 0.0000
34 A A -1.4562
35 A A -1.5965
36 F A 0.0000
37 D A 0.0000
38 L A 0.0000
39 G A 0.0000
40 W A 0.0000
41 F A -0.7424
42 R A -1.7669
43 Q A -2.5228
44 A A -1.5438
45 P A -1.3259
46 G A -1.8123
47 Q A -3.1875
48 E A -3.9834
49 R A -3.8760
50 E A -3.3348
51 A A -1.4422
52 V A 0.0000
53 A A 0.0000
54 A A 0.5466
55 I A 0.0000
56 D A 0.0000
57 R A -2.2408
58 D A -2.5567
59 G A -1.4860
60 G A -0.5548
61 I A 1.0699
62 T A 1.0293
63 Y A 0.8173
64 Y A -0.3828
65 A A -1.3108
66 D A -2.4138
67 S A -1.4266
68 V A 0.0000
69 K A -2.5052
70 G A -1.9015
71 R A -1.8446
72 F A 0.0000
73 T A -0.7872
74 I A 0.0000
75 S A -0.4867
76 R A -1.6557
77 D A -2.0613
78 N A -2.6035
79 A A -1.4090
80 K A -2.1842
81 N A -1.5794
82 T A -1.1173
83 V A 0.0000
84 T A -0.8053
85 L A 0.0000
86 Q A -1.3534
87 M A 0.0000
88 N A -1.9991
89 N A -2.3788
90 L A 0.0000
91 K A -1.6629
92 P A -0.3636
93 V A 1.2210
94 D A 0.0000
95 T A -0.0236
96 A A 0.0000
97 I A -0.5740
98 Y A 0.0000
99 Y A -0.4438
100 C A 0.0000
101 A A 0.0000
102 A A 0.0000
103 R A -2.1686
104 R A -3.2713
105 S A -2.4860
106 R A -3.0580
107 N A -2.9800
108 R A -2.9262
109 T A -1.8223
110 Y A -1.1274
111 E A -1.4901
112 S A 0.0000
113 W A -0.1239
114 G A -0.3619
115 Q A -1.1171
116 G A -0.6763
117 T A 0.0000
118 Q A -1.4522
119 V A 0.0000
120 T A -0.5782
121 V A 0.0000
122 S A -1.2178
123 G A -1.6153
124 G A -1.5374
125 G A -1.2811
126 G A -1.5422
127 S A -1.4428
128 H A -2.1817
129 H A -2.5621
130 H A -2.6576
131 H A -2.4828
132 H A -2.1948
133 H A -1.4553
134 L A 0.1573
135 E A -0.6457
136 V A 1.1662
137 S A 0.3024
138 G A 0.1310
139 W A 0.9675
140 R A -0.3123
141 L A 1.5705
142 F A 1.2365
143 K A -0.9876
144 K A -1.1203
145 I A 0.8669
146 S A 0.3192
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Laboratory of Theory of Biopolymers 2018