Project name: 9582ae0e925f4df

Status: done

Started: 2026-04-23 02:08:20
Settings
Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGGGFASGSYYMGWFRQAPGKGRELVAWISGSGGTETYYADSVKGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAASSSTPRDVFDTSDYDYWGQGTQVTVSS
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                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)
Show buried residues

Minimal score value
-2.7324
Maximal score value
1.2195
Average score
-0.7607
Total score value
-97.3703

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 A -2.5467
2 V A 0.0000
3 Q A -1.3732
4 L A 0.0000
5 V A 1.2195
6 E A 0.0000
7 S A -0.5264
8 G A -1.1307
9 G A -0.8024
10 G A -0.0905
11 L A 0.9199
12 V A 0.0000
13 Q A -1.4261
14 P A -1.6252
15 G A -1.4275
16 G A -0.9674
17 S A -1.2337
18 L A -0.9332
19 R A -2.1339
20 L A 0.0000
21 S A -0.3133
22 C A 0.0000
23 A A -0.0210
24 A A 0.0000
25 S A -1.0903
26 G A -1.4790
27 G A -1.4088
28 G A -1.0483
29 F A 0.0000
30 A A -1.0817
31 S A -0.7052
32 G A 0.0000
33 S A -0.5125
34 Y A -0.3345
35 Y A -0.0236
36 M A 0.0000
37 G A 0.0000
38 W A 0.0000
39 F A 0.0000
40 R A 0.0000
41 Q A -1.7774
42 A A -1.6657
43 P A -1.1942
44 G A -1.6644
45 K A -2.7324
46 G A -2.3213
47 R A -2.1602
48 E A -1.8868
49 L A 0.0000
50 V A 0.0000
51 A A 0.0000
52 W A 0.0000
53 I A 0.0000
54 S A 0.0000
55 G A 0.0000
56 S A -0.7556
57 G A -1.1535
58 G A -1.1484
59 T A -1.2283
60 E A -1.8766
61 T A -0.6599
62 Y A -0.1293
63 Y A -0.5881
64 A A -1.0865
65 D A -2.3468
66 S A -1.6989
67 V A 0.0000
68 K A -2.4292
69 G A -1.6404
70 R A 0.0000
71 F A 0.0000
72 T A -0.7522
73 I A 0.0000
74 S A -0.6667
75 R A -1.0741
76 D A -1.7262
77 N A -1.6138
78 A A -1.3462
79 K A -2.3159
80 R A -1.8845
81 M A -0.9254
82 V A 0.0000
83 Y A -0.6138
84 L A 0.0000
85 Q A -1.2504
86 M A 0.0000
87 N A -1.3587
88 S A -1.1805
89 L A 0.0000
90 R A -2.2125
91 A A -1.7262
92 E A -2.2081
93 D A 0.0000
94 T A -0.8611
95 A A 0.0000
96 V A -0.5091
97 Y A 0.0000
98 Y A -0.2835
99 C A 0.0000
100 A A 0.0000
101 A A 0.0000
102 S A 0.0000
103 S A -0.8604
104 S A -0.7911
105 T A -0.7831
106 P A 0.0000
107 R A -2.4068
108 D A -1.7996
109 V A -0.2856
110 F A 0.3715
111 D A -0.9307
112 T A -0.8251
113 S A -0.9414
114 D A -1.3190
115 Y A 0.0000
116 D A -1.8861
117 Y A -1.0777
118 W A -0.1865
119 G A -0.0750
120 Q A -0.8307
121 G A -0.5017
122 T A -0.6784
123 Q A -1.0119
124 V A 0.0000
125 T A -0.3581
126 V A 0.0000
127 S A -0.8437
128 S A -0.6007
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018