Project name: c016b9d1e616e2f

Status: done

Started: 2026-04-02 04:12:45
Settings
Chain sequence(s) H: DVQLQASGGGLVQPGGSLRVSCAASGYTFSSNVISWVRQAPGKGLEWMGGVIPIVDIANYAQRFKGRFTISRDEAKNTLYLQMNSLKSEDTAVYYCASTLGLVLDAMDRWGQGTQVTVSS
input PDB
Selected Chain(s) H
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with H chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:51)
Show buried residues

Minimal score value
-2.7784
Maximal score value
2.6019
Average score
-0.4725
Total score value
-56.7018

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 D H -2.2607
2 V H 0.0000
3 Q H -2.1313
4 L H 0.0000
5 Q H -1.4795
6 A H 0.0000
7 S H -1.1341
8 G H -1.2026
9 G H -0.7624
11 G H 0.1990
12 L H 1.0905
13 V H 0.0289
14 Q H -1.3304
15 P H -1.5399
16 G H -1.3548
17 G H -1.0464
18 S H -1.1137
19 L H -0.8745
20 R H -2.1052
21 V H 0.0000
22 S H -0.8556
23 C H 0.0000
24 A H -0.9771
25 A H 0.0000
26 S H -1.2559
27 G H -1.3440
28 Y H -0.7026
29 T H -0.2337
30 F H 0.0000
35 S H -0.1307
36 S H 0.5242
37 N H 0.0000
38 V H 1.3839
39 I H 0.0000
40 S H 0.0000
41 W H 0.0000
42 V H 0.0000
43 R H 0.0000
44 Q H -0.4160
45 A H -1.0386
46 P H -0.8770
47 G H -1.2918
48 K H -1.7795
49 G H -0.7049
50 L H 0.7890
51 E H 0.1259
52 W H 0.2327
53 M H 0.0000
54 G H 0.0000
55 G H 0.0000
56 V H 0.0000
57 I H 1.4923
58 P H 1.0978
59 I H 2.6019
62 V H 2.1633
63 D H 0.3352
64 I H 1.7463
65 A H 0.0547
66 N H -1.1883
67 Y H -1.3157
68 A H -1.4782
69 Q H -2.3370
70 R H -1.7561
71 F H 0.0000
72 K H -2.7784
74 G H -1.7632
75 R H -1.5186
76 F H 0.0000
77 T H -1.0198
78 I H 0.0000
79 S H -0.5233
80 R H -1.4550
81 D H -1.9000
82 E H -2.7779
83 A H -1.8754
84 K H -2.6059
85 N H -2.1399
86 T H 0.0000
87 L H 0.0000
88 Y H -0.6241
89 L H 0.0000
90 Q H -1.2693
91 M H 0.0000
92 N H -1.3320
93 S H -1.0893
94 L H 0.0000
95 K H -2.1048
96 S H -1.8364
97 E H -2.2701
98 D H 0.0000
99 T H -0.8356
100 A H 0.0000
101 V H -0.2106
102 Y H 0.0000
103 Y H -0.0314
104 C H 0.0000
105 A H 0.0000
106 S H 0.0000
107 T H 0.0000
108 L H 1.5749
109 G H 1.6489
110 L H 2.4636
111 V H 2.4478
112 L H 1.1377
113 D H -0.7277
114 A H -0.2848
115 M H -0.4911
116 D H -1.5253
117 R H -1.2932
118 W H -0.6559
119 G H 0.0000
120 Q H -1.3704
121 G H 0.0000
122 T H -0.9339
123 Q H -0.8275
124 V H 0.0000
125 T H -0.2538
126 V H 0.0000
127 S H -0.8481
128 S H -0.6494
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018