Project name: 82f3268b8e0981c

Status: done

Started: 2025-12-31 07:21:51
Settings
Chain sequence(s) D: EIVLTQSPATLSLSPGERATLSCRASQSVYSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPFTFGPGTKVDIK
G: QVQLVESGGGVVQPGRSLRLSCAASGFIFSSYAMHWVRQAPGNGLEWVAFMSYDGSNKKYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDRGIAAGGNYYYYGMDVWGQGTTVTVSS
input PDB
Selected Chain(s) D,G
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 all 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                                          (00:02:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:55)
Show buried residues

Minimal score value
-2.963
Maximal score value
1.9745
Average score
-0.594
Total score value
-139.0008

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 D -1.4017
2 I D 0.0000
3 V D 0.9475
4 L D 0.2331
5 T D -0.4877
6 Q D 0.0000
7 S D -0.7602
8 P D -0.4536
9 A D -0.5203
10 T D -0.9328
11 L D -0.5115
12 S D -0.5712
13 L D -0.6125
14 S D -0.9826
15 P D -1.3743
16 G D -1.8727
17 E D -2.5461
18 R D -2.6648
19 A D 0.0000
20 T D -0.5656
21 L D 0.0000
22 S D -0.9300
23 C D 0.0000
24 R D -2.2739
25 A D 0.0000
26 S D -0.8726
27 Q D -1.1581
28 S D -0.6586
29 V D 0.0000
30 Y D 0.8996
31 S D 0.2736
32 Y D 0.5609
33 L D 0.0000
34 A D 0.0000
35 W D 0.0000
36 Y D 0.0000
37 Q D 0.0000
38 Q D 0.0000
39 K D -1.2779
40 P D -0.7803
41 G D -1.0469
42 Q D -1.2336
43 A D -0.8810
44 P D 0.0000
45 R D -1.1439
46 L D 0.0000
47 L D 0.0000
48 I D 0.0000
49 Y D -0.6438
50 D D -0.4862
51 A D 0.0000
52 S D -1.3146
53 N D -1.9478
54 R D -2.1434
55 A D -1.3128
56 T D -0.8398
57 G D -0.6098
58 I D -0.5348
59 P D -0.4022
60 A D -0.4171
61 R D -0.8162
62 F D 0.0000
63 S D -0.7663
64 G D -0.8646
65 S D -0.8799
66 G D -0.9993
67 S D -0.7025
68 G D -0.5152
69 T D -1.4041
70 D D -2.0654
71 F D 0.0000
72 T D -0.8260
73 L D 0.0000
74 T D -0.6034
75 I D 0.0000
76 S D -1.4134
77 S D -1.7877
78 L D 0.0000
79 E D -1.8982
80 P D -1.3458
81 E D -1.8816
82 D D 0.0000
83 F D -0.8328
84 A D 0.0000
85 V D 0.0000
86 Y D 0.0000
87 Y D 0.0000
88 C D 0.0000
89 Q D 0.0000
90 Q D 0.0000
91 R D 0.0000
92 S D 0.0000
93 N D -0.3131
94 W D 0.0932
95 P D -0.3127
96 P D -0.3571
97 F D 0.0000
98 T D 0.1164
99 F D 0.0000
100 G D 0.0000
101 P D -0.5677
102 G D -0.7951
103 T D 0.0000
104 K D -1.7625
105 V D 0.0000
106 D D -0.7848
107 I D 0.0704
108 K D -1.2051
1 Q G -1.0638
2 V G 0.1670
3 Q G -0.6358
4 L G 0.0000
5 V G 0.5892
6 E G 0.0000
7 S G -0.5753
8 G G -0.9713
9 G G -0.3803
10 G G 0.4763
11 V G 1.2918
12 V G 0.0000
13 Q G -1.7852
14 P G -1.9307
15 G G -2.3247
16 R G -2.9630
17 S G -2.1925
18 L G -1.4486
19 R G -1.9818
20 L G 0.0000
21 S G -0.4688
22 C G 0.0000
23 A G -0.2747
24 A G 0.0000
25 S G -0.0432
26 G G -0.0659
27 F G 0.9294
28 I G 1.9745
29 F G 0.0000
30 S G 0.1637
31 S G 0.1786
32 Y G 0.1771
33 A G 0.0000
34 M G 0.0000
35 H G 0.0000
36 W G 0.0000
37 V G 0.0000
38 R G 0.0000
39 Q G -0.7351
40 A G -1.0979
41 P G -0.8752
42 G G -1.2421
43 N G -1.7833
44 G G -1.1253
45 L G 0.0000
46 E G -0.9965
47 W G 0.0000
48 V G 0.0000
49 A G 0.0000
50 F G 0.0000
51 M G 0.0000
52 S G -0.8046
53 Y G -0.1680
54 D G -1.7537
55 G G -1.3977
56 S G -1.3340
57 N G -1.9066
58 K G -2.0377
59 K G -1.4083
60 Y G -1.2336
61 A G -1.4788
62 D G -2.4977
63 S G -1.7220
64 V G 0.0000
65 K G -2.6114
66 G G -1.8151
67 R G -1.6686
68 F G 0.0000
69 T G -1.1230
70 I G 0.0000
71 S G -0.7023
72 R G -1.0644
73 D G -1.7697
74 N G -1.6573
75 S G -1.6669
76 K G -2.3889
77 N G -1.4928
78 T G -1.0545
79 L G 0.0000
80 Y G -0.5505
81 L G 0.0000
82 Q G -1.4194
83 M G 0.0000
84 N G -2.4452
85 S G -2.0362
86 L G 0.0000
87 R G -2.4777
88 A G -1.6808
89 E G -2.1644
90 D G 0.0000
91 T G -0.6299
92 A G 0.0000
93 V G -0.0251
94 Y G 0.0000
95 Y G 0.0000
96 C G 0.0000
97 A G 0.0000
98 R G -0.7775
99 D G 0.0000
100 R G -1.2766
101 G G -0.0340
102 I G 0.8254
103 A G 0.3798
104 A G 0.0327
105 G G -0.5059
106 G G -0.6018
107 N G -0.4833
108 Y G 0.4131
109 Y G 0.0000
110 Y G 0.7170
111 Y G 0.0699
112 G G 0.0000
113 M G 0.0000
114 D G -1.2525
115 V G -0.3157
116 W G -0.3782
117 G G 0.0000
118 Q G -1.1722
119 G G -0.4798
120 T G -0.3239
121 T G -0.0664
122 V G 0.0000
123 T G -0.0042
124 V G 0.0000
125 S G -0.3831
126 S G -0.5109
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Laboratory of Theory of Biopolymers 2018