Project name: f3667fe796b69b7

Status: done

Started: 2026-03-20 17:58:18
Settings
Chain sequence(s) H: EVQLVESGGGVVQPGGSLKLSCVASGTDFSINFIRWYRQAPGKQREFVAGFTATGNTNYADSMKGRFTISRDNTKNAVYLQIDSLKPEDTAVYYCYMLDKWGQGTQVTVSS
input PDB
Selected Chain(s) H
Distance of aggregation 5 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with H chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:03)
Show buried residues

Minimal score value
-1.9991
Maximal score value
1.7722
Average score
-0.3453
Total score value
-38.3263

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 H -1.7625
2 V H -0.2987
3 Q H -1.1066
4 L H 0.2862
5 V H 1.7637
6 E H 0.0433
7 S H -0.3165
9 G H -0.4256
10 G H -0.3173
11 G H 0.1059
12 V H 1.7722
13 V H 0.2876
14 Q H -1.1949
15 P H -0.4671
16 G H -0.5330
17 G H -0.1837
18 S H -0.1994
19 L H -0.0521
20 K H -1.6820
21 L H 0.0000
22 S H -0.0032
23 C H 0.0000
24 V H 0.9839
25 A H 0.0000
26 S H -0.2719
27 G H -0.4744
29 T H -0.4710
30 D H -1.7992
31 F H 0.0000
32 S H -0.1006
33 I H 0.3379
39 N H -0.6522
40 F H 0.7248
41 I H 0.0000
42 R H -0.4734
43 W H 0.0000
44 Y H 0.2095
45 R H 0.0000
46 Q H -0.4511
47 A H -0.1021
48 P H -0.3372
49 G H -0.8117
50 K H -1.9991
51 Q H -1.6323
52 R H -1.1674
53 E H -1.1436
54 F H 0.3550
55 V H 0.0000
56 A H 0.0000
57 G H 0.0000
58 F H 0.2073
59 T H 0.1227
60 A H -0.1033
65 T H -0.1159
66 G H -0.5163
67 N H -1.3311
68 T H -0.4849
69 N H -1.2353
70 Y H 0.0349
71 A H -0.2650
72 D H -1.8259
73 S H -0.5350
74 M H 0.0000
75 K H -1.7840
76 G H -0.8287
77 R H -0.3992
78 F H 0.0000
79 T H -0.0702
80 I H 0.0000
81 S H -0.1675
82 R H -0.3201
83 D H -0.6168
84 N H -1.3478
85 T H -0.5986
86 K H -1.7879
87 N H -0.7256
88 A H 0.0000
89 V H 0.0000
90 Y H 0.4388
91 L H 0.0000
92 Q H -0.4552
93 I H 0.0000
94 D H -0.8381
95 S H -0.3759
96 L H 0.0000
97 K H -1.3623
98 P H -0.8106
99 E H -1.8649
100 D H 0.0000
101 T H -0.0182
102 A H 0.0000
103 V H 0.3713
104 Y H 0.0000
105 Y H 0.1488
106 C H 0.0000
107 Y H 0.2624
108 M H 0.0000
109 L H 0.2829
137 D H -1.8726
138 K H -1.3310
139 W H 0.3809
140 G H -0.1760
141 Q H -1.2291
142 G H -0.3021
143 T H -0.1976
144 Q H -0.8833
145 V H 0.0000
146 T H 0.1728
147 V H 0.0000
148 S H -0.1753
149 S H -0.2380
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018