Project name: fb16cc627db167

Status: done

Started: 2026-04-20 09:20:21
Settings
Chain sequence(s) C: EVQLVESGGGLVQPGGSLRLSCAASGFTFSSYAMAWFRQAPGKGRELVAAISSSGGYTYYADSVKGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAARSGGLTKESAFDESKYDYWGQGTQVTVSS
input PDB
Selected Chain(s) C
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 C 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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)
Show buried residues

Minimal score value
-2.7185
Maximal score value
0.8791
Average score
-0.804
Total score value
-102.1129

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 C -2.1379
2 V C -1.4700
3 Q C -1.3696
4 L C 0.0000
5 V C 0.6623
6 E C 0.0000
7 S C -0.5677
8 G C -1.1538
9 G C -0.8686
10 G C -0.0860
11 L C 0.8791
12 V C 0.0000
13 Q C -1.4123
14 P C -1.6276
15 G C -1.3743
16 G C -1.0095
17 S C -1.3417
18 L C -1.1511
19 R C -2.1854
20 L C 0.0000
21 S C -0.4350
22 C C 0.0000
23 A C -0.3010
24 A C 0.0000
25 S C -1.0943
26 G C -1.2417
27 F C -0.6008
28 T C -0.3127
29 F C 0.0000
30 S C -0.6701
31 S C -0.4694
32 Y C -0.5106
33 A C 0.0000
34 M C 0.0000
35 A C 0.0000
36 W C 0.0000
37 F C 0.0000
38 R C 0.0000
39 Q C -1.7172
40 A C -1.7114
41 P C -1.1512
42 G C -1.6612
43 K C -2.7185
44 G C -2.3020
45 R C -2.4242
46 E C -2.0151
47 L C 0.0000
48 V C 0.0000
49 A C 0.0000
50 A C 0.0000
51 I C 0.0000
52 S C -0.1081
53 S C -0.4778
54 S C -0.4854
55 G C -0.3449
56 G C -0.0303
57 Y C 0.7560
58 T C 0.2467
59 Y C 0.0000
60 Y C -1.0128
61 A C -1.4613
62 D C -2.4779
63 S C -1.7193
64 V C 0.0000
65 K C -2.6106
66 G C -1.7413
67 R C -1.5021
68 F C 0.0000
69 T C -0.8566
70 I C 0.0000
71 S C -0.2627
72 R C -1.0365
73 D C -1.5149
74 N C -1.7334
75 A C -1.4485
76 K C -2.3927
77 R C -2.0507
78 M C -1.0220
79 V C 0.0000
80 Y C -0.5121
81 L C 0.0000
82 Q C -1.2344
83 M C 0.0000
84 N C -1.4639
85 S C -1.1899
86 L C 0.0000
87 R C -2.2503
88 A C -1.7111
89 E C -2.2221
90 D C 0.0000
91 T C -0.8391
92 A C 0.0000
93 V C -0.3842
94 Y C 0.0000
95 Y C -0.2555
96 C C 0.0000
97 A C 0.0000
98 A C 0.0000
99 R C -1.3138
100 S C -1.0624
101 G C -0.8996
102 G C -0.7872
103 L C 0.0000
104 T C -1.2891
105 K C -2.2111
106 E C -2.3572
107 S C -1.7330
108 A C 0.0000
109 F C -0.5631
110 D C -1.5381
111 E C -1.7343
112 S C -1.4920
113 K C -2.0445
114 Y C 0.0000
115 D C -1.9741
116 Y C -0.7144
117 W C -0.2472
118 G C -0.2277
119 Q C -1.0630
120 G C -0.5058
121 T C -0.7112
122 Q C -1.0695
123 V C 0.0000
124 T C -0.3294
125 V C 0.0000
126 S C -0.8131
127 S C -0.5319
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018