Project name: 6c264c57043fb22

Status: done

Started: 2025-08-11 08:03:00
Settings
Chain sequence(s) H: QVQLVQSGPGVVQPSQSLSITCTVSGLSLTGVGVHWIRQPPGKGLEWLGTIWSDGNTNYNGSLKSRVTISVDTSKNQFSLNLRSVTAADTAVYYCARHATSATSHSYLDPFDYWGQGTLVTVSS
L: EIVLTQSPGTLSLSPGERATLSCRASQSVTSTYLAWHQQKPGQAPRLLIYGASSRATGIPDRFSGSGSEADFTLTINRLEPEDFAVYYCQQYATSPWTFGQGTKVEIK
input PDB
Selected Chain(s) H,L
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 all 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                                          (00:01:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:11)
Show buried residues

Minimal score value
-3.3724
Maximal score value
1.6282
Average score
-0.5859
Total score value
-135.9267

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 Q H -1.4745
2 V H -0.8611
3 Q H -1.1498
4 L H 0.0000
5 V H 0.6938
6 Q H 0.0000
7 S H -0.3056
8 G H -0.1857
9 P H 0.2476
11 G H 0.7862
12 V H 1.4712
13 V H 0.0000
14 Q H -1.0834
15 P H -1.0444
16 S H -1.2908
17 Q H -1.7827
18 S H -1.5385
19 L H 0.0000
20 S H -0.6678
21 I H 0.0000
22 T H -0.1086
23 C H 0.0000
24 T H -0.3773
25 V H 0.0000
26 S H -0.7075
27 G H -0.9661
28 L H -0.3981
29 S H -0.3319
30 L H 0.0000
35 T H -0.7528
36 G H -0.7314
37 V H 0.0000
38 G H 0.0000
39 V H 0.0000
40 H H 0.0000
41 W H 0.0000
42 I H 0.0000
43 R H 0.0000
44 Q H -0.5643
45 P H -0.6707
46 P H -0.8063
47 G H -1.4533
48 K H -2.3696
49 G H -1.5579
50 L H 0.0000
51 E H -0.8410
52 W H 0.0000
53 L H 0.0000
54 G H 0.0000
55 T H 0.0000
56 I H 0.0000
57 W H -0.9863
58 S H -1.3450
59 D H -2.2962
63 G H -1.7241
64 N H -1.9580
65 T H -1.1092
66 N H -1.0035
67 Y H -0.8740
68 N H -1.0918
69 G H -1.5142
70 S H -1.0307
71 L H 0.0000
72 K H -2.2002
74 S H -1.4621
75 R H -1.4633
76 V H 0.0000
77 T H -0.8065
78 I H 0.0000
79 S H -0.4093
80 V H -0.8028
81 D H -1.3179
82 T H -1.3608
83 S H -1.3387
84 K H -2.2076
85 N H -1.4980
86 Q H -1.0926
87 F H 0.0000
88 S H -0.3556
89 L H 0.0000
90 N H -0.8252
91 L H 0.0000
92 R H -1.7193
93 S H -1.4226
94 V H 0.0000
95 T H -0.5597
96 A H -0.1510
97 A H 0.0333
98 D H 0.0000
99 T H 0.4528
100 A H 0.0000
101 V H 0.7283
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 A H 0.0000
106 R H -0.2136
107 H H 0.0000
108 A H -0.0636
109 T H 0.0630
110 S H -0.0291
111 A H -0.0958
111A T H -0.2311
111B S H -0.5495
112C H H -0.8742
112B S H -0.2673
112A Y H 0.6274
112 L H 0.0000
113 D H -0.0067
114 P H 0.0000
115 F H 0.0000
116 D H -0.3945
117 Y H -0.1244
118 W H -0.2800
119 G H 0.0000
120 Q H -1.0236
121 G H 0.0000
122 T H 0.5362
123 L H 1.6282
124 V H 0.0000
125 T H 0.7476
126 V H 0.0000
127 S H -0.1741
128 S H -0.4193
1 E L -1.6699
2 I L 0.0000
3 V L 0.5876
4 L L 0.0000
5 T L -0.8439
6 Q L 0.0000
7 S L -0.9501
8 P L -0.5633
9 G L -0.9417
10 T L -0.6643
11 L L -0.2123
12 S L -0.1693
13 L L -0.7685
14 S L -1.1541
15 P L -1.5471
16 G L -2.3288
17 E L -3.1223
18 R L -3.3724
19 A L 0.0000
20 T L -0.7851
21 L L 0.0000
22 S L -0.9739
23 C L 0.0000
24 R L -2.6061
25 A L 0.0000
26 S L -1.2293
27 Q L -2.0389
28 S L -1.9766
29 V L 0.0000
30 T L -0.7722
36 S L -0.7633
37 T L 0.1082
38 Y L 0.2996
39 L L 0.0000
40 A L 0.0000
41 W L 0.0000
42 H L 0.0000
43 Q L -0.8365
44 Q L 0.0000
45 K L -1.3659
46 P L -0.9285
47 G L -1.3431
48 Q L -2.0979
49 A L -1.4109
50 P L 0.0000
51 R L -1.9023
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 Y L -0.0801
56 G L -0.1188
57 A L 0.0000
65 S L -0.5762
66 S L -0.5610
67 R L -1.2319
68 A L 0.0000
69 T L -0.5231
70 G L -0.8590
71 I L 0.0000
72 P L -1.2869
74 D L -2.2814
75 R L -2.1533
76 F L 0.0000
77 S L -0.9991
78 G L -0.4680
79 S L -0.6868
80 G L -1.4331
83 S L -1.8589
84 E L -2.8696
85 A L -2.5782
86 D L -2.7210
87 F L 0.0000
88 T L -0.8060
89 L L 0.0000
90 T L -0.9682
91 I L 0.0000
92 N L -3.0042
93 R L -3.2857
94 L L 0.0000
95 E L -1.6165
96 P L -0.9500
97 E L -1.8082
98 D L 0.0000
99 F L -0.2953
100 A L 0.0000
101 V L -0.2681
102 Y L 0.0000
103 Y L 0.0000
104 C L 0.0000
105 Q L 0.0000
106 Q L 0.0000
107 Y L 0.0000
108 A L 0.0945
109 T L -0.4026
114 S L -0.6319
115 P L -0.8020
116 W L 0.0000
117 T L -0.1706
118 F L 0.0000
119 G L 0.0000
120 Q L -1.4469
121 G L 0.0000
122 T L 0.0000
123 K L -0.9861
124 V L 0.0000
125 E L -0.1787
126 I L 0.8827
127 K L -0.9749
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Laboratory of Theory of Biopolymers 2018