Project name: 3f35e711f5597b4

Status: done

Started: 2025-07-24 21:34:47
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Chain sequence(s) A: QVQLVESGGGLVQPGGSLRLSCAASASSPSAKMLRWGWFRQAPGQGLEAVAQSEDEAKKIGIPNAKDPRFTISRDNSKNTLYLQMNSLRAEDTAVYYCADATLLDTEEQLAERGDWGQGTLVTVSS
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                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:17)
Show buried residues

Minimal score value
-3.9605
Maximal score value
1.695
Average score
-0.8842
Total score value
-111.4149

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 Q A -1.5653
2 V A -0.9248
3 Q A -1.2920
4 L A 0.0000
5 V A 0.8741
6 E A 0.3383
7 S A -0.2988
8 G A -0.8087
9 G A 0.0898
10 G A 0.6336
11 L A 1.3284
12 V A 0.0000
13 Q A -1.4637
14 P A -1.7317
15 G A -1.4774
16 G A -1.0177
17 S A -1.3917
18 L A -1.1517
19 R A -2.2925
20 L A 0.0000
21 S A -0.5533
22 C A 0.0000
23 A A -0.2335
24 A A -0.3694
25 S A -0.7051
26 A A -0.7469
27 S A -0.7752
28 S A -0.7733
29 P A -0.7258
30 S A -0.8428
31 A A -0.7957
32 K A -1.7992
33 M A -0.7798
34 L A -0.5274
35 R A -1.1053
36 W A 0.0000
37 G A 0.0000
38 W A 0.0000
39 F A 0.0000
40 R A -0.3069
41 Q A -0.7178
42 A A -1.0175
43 P A -1.1943
44 G A -1.2703
45 Q A -1.7872
46 G A -1.0975
47 L A -0.3290
48 E A -0.8982
49 A A -0.7915
50 V A 0.0000
51 A A 0.0000
52 Q A -1.5459
53 S A -1.0459
54 E A -1.5587
55 D A -2.2039
56 E A -2.5989
57 A A -1.8992
58 K A -2.5629
59 K A -1.8572
60 I A 0.7747
61 G A -0.2078
62 I A 1.3758
63 P A -0.1626
64 N A -1.5953
65 A A -1.5683
66 K A -2.3828
67 D A -1.4504
68 P A -1.0956
69 R A -1.0175
70 F A 0.0000
71 T A -1.2469
72 I A 0.0000
73 S A -0.6553
74 R A -1.6339
75 D A -2.0885
76 N A -2.4823
77 S A -1.9957
78 K A -2.6525
79 N A -2.0390
80 T A 0.0000
81 L A 0.0000
82 Y A -0.8219
83 L A 0.0000
84 Q A -1.6577
85 M A 0.0000
86 N A -1.4518
87 S A -1.2296
88 L A 0.0000
89 R A -2.5222
90 A A -1.8467
91 E A -2.3248
92 D A 0.0000
93 T A -0.4915
94 A A 0.0000
95 V A 0.8057
96 Y A 0.0000
97 Y A 0.2839
98 C A 0.0000
99 A A 0.0000
100 D A 0.0000
101 A A -0.7939
102 T A -0.0174
103 L A 0.8751
104 L A -1.3351
105 D A -2.1395
106 T A -2.3516
107 E A -3.4495
108 E A -3.9605
109 Q A -3.4124
110 L A 0.0000
111 A A -2.5964
112 E A -3.7065
113 R A -3.1034
114 G A -2.0112
115 D A -1.7014
116 W A -0.5763
117 G A -0.4284
118 Q A -0.9402
119 G A 0.0062
120 T A 0.5537
121 L A 1.6950
122 V A 0.0000
123 T A 0.3013
124 V A 0.0000
125 S A -0.8410
126 S A -0.5337
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Laboratory of Theory of Biopolymers 2018