Project name: a87ea3c4001f1c7

Status: done

Started: 2026-04-20 09:11:24
Settings
Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFTFSSYAMAWFRQAPGKGRELVAAISSSGGYTYYADSVKGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAARSGGLTKESAFDESKYDYWGQGTQVTVSS
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)
Show buried residues

Minimal score value
-2.6688
Maximal score value
0.8994
Average score
-0.7598
Total score value
-96.4906

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 -2.1290
2 V A -1.1540
3 Q A -1.3339
4 L A 0.0000
5 V A 0.8330
6 E A 0.0000
7 S A -0.4523
8 G A -0.9612
9 G A -0.7410
10 G A 0.0973
11 L A 0.8994
12 V A 0.0000
13 Q A -1.3830
14 P A -1.5188
15 G A -1.3373
16 G A -0.9195
17 S A -1.3143
18 L A -1.0166
19 R A -2.2643
20 L A 0.0000
21 S A -0.4465
22 C A 0.0000
23 A A -0.1383
24 A A 0.0000
25 S A -0.9032
26 G A -1.2794
27 F A -0.5628
28 T A -0.2677
29 F A 0.0000
30 S A -0.6309
31 S A -0.4610
32 Y A -0.4891
33 A A 0.0000
34 M A 0.0000
35 A A 0.0000
36 W A 0.0000
37 F A 0.0000
38 R A 0.0000
39 Q A -1.6655
40 A A -1.6535
41 P A -1.1710
42 G A -1.6538
43 K A -2.6688
44 G A -2.1829
45 R A -2.1301
46 E A -2.0013
47 L A 0.0000
48 V A 0.0000
49 A A 0.0000
50 A A 0.0000
51 I A 0.0000
52 S A 0.0000
53 S A -0.4509
54 S A -0.4793
55 G A -0.3944
56 G A -0.0203
57 Y A 0.7562
58 T A 0.3359
59 Y A -0.3079
60 Y A -0.8032
61 A A 0.0000
62 D A -2.3878
63 S A -1.7382
64 V A 0.0000
65 K A -2.5514
66 G A -1.7343
67 R A -1.3795
68 F A 0.0000
69 T A -0.9599
70 I A 0.0000
71 S A -0.5410
72 R A -1.0466
73 D A -1.6363
74 N A -1.6474
75 A A -1.3750
76 K A -2.2701
77 R A -1.7553
78 M A -0.9057
79 V A 0.0000
80 Y A -0.6859
81 L A 0.0000
82 Q A -1.6527
83 M A 0.0000
84 N A -1.3967
85 S A -1.0960
86 L A 0.0000
87 R A -2.1108
88 A A -1.6761
89 E A -2.1835
90 D A 0.0000
91 T A -0.8308
92 A A 0.0000
93 V A -0.3048
94 Y A 0.0000
95 Y A -0.2070
96 C A 0.0000
97 A A 0.0000
98 A A 0.0000
99 R A -1.2887
100 S A -1.0379
101 G A -0.9435
102 G A -0.6375
103 L A 0.0000
104 T A -1.2696
105 K A -2.1709
106 E A -2.3948
107 S A -1.8223
108 A A 0.0000
109 F A -0.5815
110 D A -1.5611
111 E A -1.6953
112 S A -1.4869
113 K A -2.0843
114 Y A 0.0000
115 D A -1.8942
116 Y A -0.6434
117 W A -0.2272
118 G A -0.1750
119 Q A -0.8895
120 G A 0.0000
121 T A -0.6280
122 Q A -0.9149
123 V A 0.0000
124 T A -0.3114
125 V A 0.0000
126 S A -0.8174
127 S A -0.5773
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Laboratory of Theory of Biopolymers 2018