Project name: 6b0eb03e6ee2e63

Status: done

Started: 2026-06-02 05:23:43
Settings
Chain sequence(s) H: QVQLQESGPGLVKPSQTLSLTCTVSGGTISSGGHYWNWIRQHPGKGLEWIGYIYYSGSTYYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARGGYCSNGVCSPYGSGSHHFDYWGQGTLVTVSS
L: EIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPTFGQGTKVEIK
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                                          (00:01:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:16)
Show buried residues

Minimal score value
-2.4614
Maximal score value
1.6732
Average score
-0.451
Total score value
-107.329

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 -1.6397
2 V H -1.3046
3 Q H -1.8271
4 L H 0.0000
5 Q H -1.2371
6 E H 0.0000
7 S H -0.5184
8 G H -0.4115
9 P H -0.2474
11 G H 0.1346
12 L H 0.2982
13 V H 0.0000
14 K H -1.3398
15 P H -1.1419
16 S H -1.1245
17 Q H -1.5488
18 T H -1.2559
19 L H 0.0000
20 S H -1.0188
21 L H 0.0000
22 T H -0.5578
23 C H 0.0000
24 T H -1.0400
25 V H 0.0000
26 S H -1.4131
27 G H -1.3828
28 G H -1.0889
29 T H -0.7452
30 I H 0.0000
31 S H -0.2466
34 S H -0.0983
35 G H 0.0841
36 G H 0.3001
37 H H 0.2289
38 Y H 0.3948
39 W H 0.0000
40 N H 0.0000
41 W H 0.0000
42 I H 0.0000
43 R H 0.0000
44 Q H -0.8403
45 H H -1.0190
46 P H -0.9675
47 G H -1.5014
48 K H -2.4614
49 G H -1.6237
50 L H 0.0000
51 E H -1.1980
52 W H 0.0000
53 I H 0.0000
54 G H 0.0000
55 Y H 0.0000
56 I H 0.0000
57 Y H 0.3886
58 Y H 0.2008
59 S H -0.1208
63 G H -0.3010
64 S H 0.0164
65 T H 0.3945
66 Y H 0.7515
67 Y H -0.0784
68 N H -0.6964
69 P H -0.8631
70 S H -0.8259
71 L H 0.0000
72 K H -1.8681
74 S H -1.2675
75 R H -1.3401
76 V H 0.0000
77 T H -0.9064
78 I H 0.0000
79 S H -0.3986
80 V H -0.3631
81 D H -1.2397
82 T H -1.0672
83 S H -1.3496
84 K H -2.2057
85 N H -1.4700
86 Q H -1.2664
87 F H 0.0000
88 S H -0.5903
89 L H 0.0000
90 K H -1.6574
91 L H 0.0000
92 S H -1.0448
93 S H -0.8780
94 V H 0.0000
95 T H -0.4406
96 A H -0.1599
97 A H -0.0104
98 D H 0.0000
99 T H 0.1619
100 A H 0.0000
101 V H 0.4582
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 A H 0.0000
106 R H -0.2747
107 G H 0.0000
108 G H 0.0000
109 Y H 0.4383
110 C H 0.7517
111 S H 0.0044
111A N H -0.8395
111B G H 0.0389
111C V H 1.6732
111D C H 1.3344
111E S H 0.9451
112E P H 0.5831
112D Y H 1.2831
112C G H 0.1004
112B S H 0.3545
112A G H -0.1161
112 S H 0.0000
113 H H 0.0000
114 H H -0.0560
115 F H 0.0000
116 D H -0.3985
117 Y H -0.5236
118 W H -0.5900
119 G H 0.0000
120 Q H -1.6489
121 G H -0.7539
122 T H -0.0209
123 L H 0.8071
124 V H 0.0000
125 T H 0.2012
126 V H 0.0000
127 S H -0.4640
128 S H -0.5740
1 E L -1.5472
2 I L 0.0000
3 V L 0.7485
4 L L 0.0000
5 T L -0.5749
6 Q L 0.0000
7 S L -0.7261
8 P L -0.2831
9 A L -0.3225
10 T L -0.3854
11 L L -0.3620
12 S L -0.6672
13 L L -0.8854
14 S L -1.3831
15 P L -1.3952
16 G L -1.5369
17 E L -2.0775
18 R L -2.3650
19 A L 0.0000
20 T L -0.6469
21 L L 0.0000
22 S L -0.8206
23 C L 0.0000
24 R L -2.2015
25 A L 0.0000
26 S L -0.7849
27 Q L -1.2645
28 S L -1.1848
29 V L 0.0000
36 S L -0.4830
37 S L -0.2529
38 Y L 0.1676
39 L L 0.0000
40 A L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L 0.0000
44 Q L -0.6792
45 K L -0.9385
46 P L -0.7891
47 G L -1.4006
48 Q L -1.9975
49 A L -1.2356
50 P L 0.0000
51 R L -0.9298
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 Y L -0.3209
56 D L -0.4385
57 A L 0.0000
65 S L -0.9351
66 N L -1.4530
67 R L -1.5929
68 A L -0.9548
69 T L -0.6639
70 G L -0.5927
71 I L -0.5022
72 P L -0.3358
74 A L -0.3159
75 R L -0.5699
76 F L 0.0000
77 S L -0.6074
78 G L 0.0000
79 S L -0.7034
80 G L -0.9448
83 S L -0.9338
84 G L -1.0072
85 T L -1.5507
86 D L -1.8839
87 F L 0.0000
88 T L -0.7000
89 L L 0.0000
90 T L -0.5836
91 I L 0.0000
92 S L -1.2190
93 S L -1.5126
94 L L 0.0000
95 E L -1.5079
96 P L -1.2665
97 E L -1.3942
98 D L 0.0000
99 F L 0.1176
100 A L 0.0000
101 V L -0.0065
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 R L 0.0000
108 S L -0.4558
109 N L -1.0970
114 W L -0.0673
115 P L 0.0000
116 P L 0.0000
117 T L -0.1903
118 F L 0.0516
119 G L 0.0000
120 Q L -1.1906
121 G L 0.0000
122 T L 0.0000
123 K L -0.4778
124 V L 0.0000
125 E L -0.7471
126 I L -0.7541
127 K L -1.6753
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Laboratory of Theory of Biopolymers 2018