Project name: ac570d315c87c19

Status: done

Started: 2026-07-06 06:48:25
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Chain sequence(s) A: NFMLTQPHSVSESPGKTVIISCTGSSGSIATNYVQWYQQRPGSAPTLLIFEDRKRPSGVPDRFSGSIDSSSNSASLTISGLRAEDEADYYCQSYDSSNQVFGGGTKLTVL
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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)
Show buried residues

Minimal score value
-2.8406
Maximal score value
1.3171
Average score
-0.6754
Total score value
-74.293

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 N A -1.2365
2 F A -0.0856
3 M A 0.9006
4 L A 0.0000
5 T A 0.0700
6 Q A 0.0000
7 P A -0.8912
8 H A -1.5359
9 S A -1.1762
10 V A -0.3632
11 S A -0.1629
12 E A -0.5335
13 S A -0.5859
14 P A -1.2033
15 G A -1.8172
16 K A -2.1311
17 T A -0.9290
18 V A 0.0000
19 I A 1.3171
20 I A 0.0000
21 S A 0.2658
22 C A 0.0000
23 T A -0.2960
24 G A -0.1045
25 S A -0.2273
26 S A -0.5274
27 G A -0.8151
28 S A -0.8184
29 I A 0.0000
30 A A -0.2540
31 T A -0.2655
32 N A -0.2360
33 Y A 0.5313
34 V A 0.0000
35 Q A -0.1716
36 W A 0.0000
37 Y A 0.2683
38 Q A 0.0000
39 Q A -1.4358
40 R A -2.3752
41 P A -1.4016
42 G A -1.0152
43 S A -0.9245
44 A A -0.5123
45 P A -0.5641
46 T A -0.1315
47 L A 0.3021
48 L A 0.0000
49 I A 0.0000
50 F A -0.8621
51 E A -1.2915
52 D A -1.4158
53 R A -2.7770
54 K A -2.8333
55 R A -2.2791
56 P A -0.9398
57 S A -0.9296
58 G A -0.8545
59 V A -0.7303
60 P A -1.2413
61 D A -2.1467
62 R A -1.1952
63 F A 0.0000
64 S A -1.3309
65 G A -1.2119
66 S A -1.1890
67 I A -0.6657
68 D A -1.5406
69 S A -1.0897
70 S A -0.8954
71 S A -0.8845
72 N A -1.0070
73 S A -0.7802
74 A A 0.0000
75 S A -0.2190
76 L A 0.0000
77 T A 0.3760
78 I A 0.0000
79 S A -1.0451
80 G A -1.4503
81 L A 0.0000
82 R A -2.7422
83 A A -1.8119
84 E A -2.8406
85 D A 0.0000
86 E A -2.4614
87 A A 0.0000
88 D A -1.6361
89 Y A 0.0000
90 Y A 0.2055
91 C A 0.0000
92 Q A 0.0000
93 S A 0.0000
94 Y A -0.6273
95 D A -1.4345
96 S A -1.2532
97 S A -1.2311
98 N A -2.0342
99 Q A -1.4433
100 V A -0.0834
101 F A 1.1502
102 G A 0.6468
103 G A -0.3670
104 G A -0.6389
105 T A 0.0000
106 K A -2.0370
107 L A 0.0000
108 T A -0.7975
109 V A -0.4115
110 L A 1.0574
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Laboratory of Theory of Biopolymers 2018