Project name: 7de224bab705d12

Status: done

Started: 2026-02-11 04:46:16
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Chain sequence(s) A: EVQLVESGGGVVQPGGSLRLSCAASGVTLDYYAIGWFRQAPGKGLEGVSCISSDGSTFYEDSDEGRFTISRDNAKNTVYLQMNNLKPEDTAVYYCAAVRLKCVTVTYSSGRYYVYDYWGQGTLVTVSS
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]                                                (00:00:04)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:04)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:04)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:04)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:38)
Show buried residues

Minimal score value
-2.559
Maximal score value
1.8013
Average score
-0.5114
Total score value
-65.4647

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 -2.1119
2 V A -1.4723
3 Q A -1.3008
4 L A 0.0000
5 V A 0.8966
6 E A 0.4081
7 S A -0.2930
8 G A -0.8411
9 G A 0.1612
10 G A 0.7684
11 V A 1.6734
12 V A 0.1003
13 Q A -1.3983
14 P A -1.7574
15 G A -1.8281
16 G A -1.2521
17 S A -1.5524
18 L A -1.0374
19 R A -2.1465
20 L A 0.0000
21 S A -0.4453
22 C A 0.0000
23 A A -0.2082
24 A A 0.0000
25 S A -0.7719
26 G A -1.1752
27 V A -0.2948
28 T A -0.3757
29 L A 0.0000
30 D A -1.0658
31 Y A 0.3346
32 Y A 0.0000
33 A A 0.0000
34 I A 0.0000
35 G A 0.0000
36 W A 0.0000
37 F A 0.0000
38 R A 0.0000
39 Q A -0.8620
40 A A -1.1712
41 P A -1.1144
42 G A -1.5095
43 K A -2.3637
44 G A -1.4934
45 L A -0.3921
46 E A -1.2527
47 G A 0.0000
48 V A 0.0000
49 S A 0.0000
50 C A 0.0000
51 I A 0.0000
52 S A 0.0000
53 S A -1.2614
54 D A -1.9980
55 G A -1.4182
56 S A -0.6549
57 T A 0.3603
58 F A 1.3686
59 Y A -0.1304
60 E A -1.3427
61 D A -2.4195
62 S A -1.7402
63 D A 0.0000
64 E A -2.5590
65 G A -1.9856
66 R A -1.7183
67 F A 0.0000
68 T A -0.6851
69 I A 0.0000
70 S A -0.5615
71 R A -1.3151
72 D A -1.9968
73 N A -2.0330
74 A A -1.5634
75 K A -2.2948
76 N A -1.7521
77 T A 0.0000
78 V A 0.0000
79 Y A -0.7167
80 L A 0.0000
81 Q A -1.2706
82 M A 0.0000
83 N A -1.9773
84 N A -2.3344
85 L A 0.0000
86 K A -2.4643
87 P A -1.8539
88 E A -2.2787
89 D A 0.0000
90 T A -0.3724
91 A A 0.0000
92 V A 0.9471
93 Y A 0.0000
94 Y A 0.3941
95 C A 0.0000
96 A A 0.0000
97 A A 0.0000
98 V A 0.0000
99 R A -1.3430
100 L A -0.1235
101 K A -1.4731
102 C A -0.0547
103 V A 0.5311
104 T A 0.6456
105 V A 1.0124
106 T A 0.3103
107 Y A 0.9169
108 S A -0.0169
109 S A -0.1515
110 G A -0.4003
111 R A -0.7563
112 Y A 1.1556
113 Y A 1.0265
114 V A 1.0908
115 Y A 0.0000
116 D A -1.4507
117 Y A -0.6990
118 W A 0.0927
119 G A -0.0195
120 Q A -0.8168
121 G A 0.0000
122 T A 0.6609
123 L A 1.8013
124 V A 0.0000
125 T A 0.4772
126 V A 0.0000
127 S A -0.6407
128 S A -0.4672
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Laboratory of Theory of Biopolymers 2018