Project name: 48932e5a823282

Status: done

Started: 2025-12-22 02:32:01
Settings
Chain sequence(s) H: EVQLQQSGPEVEKTGASVKISCKASGYSFTAYYIQWLKQSHGKSLEWIGYINCYNGGTGYNPKFRGKATFSVDSSSNTAYMHFNSLTSDDSAVYFCARSDYDTMDYWGQGTSVTVSS
L: DVLMTQTPLSLPVSLGGQASISCRSTQTILHSNGKTYLEWYFLRPGQSPKLLIYQVSNRFSGVPDRFSGSGSGTDFTLKISRVESEDLGLYYCFQGSHFPYTFGGGTKLEIK
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:27)
Show buried residues

Minimal score value
-2.7718
Maximal score value
1.5231
Average score
-0.5843
Total score value
-133.8104

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 -2.1641
2 V H -1.3412
3 Q H -2.1677
4 L H 0.0000
5 Q H -2.2511
6 Q H 0.0000
7 S H -1.1984
8 G H -1.0141
9 P H -0.3924
10 E H -0.3219
11 V H 0.7599
12 E H -0.8286
13 K H -1.9317
14 T H -1.6887
15 G H -1.2887
16 A H -0.9401
17 S H -1.2754
18 V H 0.0000
19 K H -1.8854
20 I H 0.0000
21 S H -0.8665
22 C H 0.0000
23 K H -2.1133
24 A H 0.0000
25 S H -1.5763
26 G H -1.3479
27 Y H -0.6269
28 S H -0.2331
29 F H 0.0000
30 T H 0.1908
31 A H 0.3324
32 Y H 0.4855
33 Y H 0.2976
34 I H 0.0000
35 Q H -0.0346
36 W H 0.0000
37 L H 0.0000
38 K H 0.0000
39 Q H -0.8279
40 S H -1.3313
41 H H -1.5796
42 G H -1.4705
43 K H -1.9659
44 S H -1.3395
45 L H 0.0000
46 E H -0.7764
47 W H 0.0000
48 I H 0.0000
49 G H 0.0000
50 Y H 0.1910
51 I H 0.0000
52 N H -0.1502
53 C H 0.0000
54 Y H 0.5615
55 N H -0.8189
56 G H -0.6361
57 G H -0.5040
58 T H -0.3502
59 G H -0.1082
60 Y H 0.0000
61 N H 0.0000
62 P H -1.6434
63 K H -2.5273
64 F H 0.0000
65 R H -2.7718
66 G H -1.8795
67 K H -1.6320
68 A H 0.0000
69 T H -0.8011
70 F H 0.0000
71 S H -0.0935
72 V H -0.2836
73 D H -0.8799
74 S H -0.7253
75 S H -0.6719
76 S H -0.8979
77 N H -1.1469
78 T H 0.0000
79 A H 0.0000
80 Y H -0.2973
81 M H 0.0000
82 H H -1.0986
83 F H 0.0000
84 N H -1.1438
85 S H -0.9762
86 L H 0.0000
87 T H -1.4220
88 S H -1.5543
89 D H -1.9502
90 D H 0.0000
91 S H -0.7489
92 A H -0.5258
93 V H -0.1048
94 Y H 0.0000
95 F H 0.0000
96 C H 0.0000
97 A H 0.0000
98 R H 0.0000
99 S H 0.0000
100 D H -0.3972
101 Y H 0.4720
102 D H -0.7880
103 T H 0.0000
104 M H 0.0000
105 D H 0.0000
106 Y H -0.0189
107 W H 0.0000
108 G H 0.0000
109 Q H -1.6571
110 G H -0.9086
111 T H 0.0000
112 S H -0.1373
113 V H 0.0000
114 T H -0.2518
115 V H 0.0000
116 S H -0.8467
117 S H -1.0260
1 D L -1.0578
2 V L 0.0299
3 L L 0.6049
4 M L 0.0000
5 T L -0.3780
6 Q L 0.0000
7 T L -0.0675
8 P L 0.4221
9 L L 1.1957
10 S L 0.2707
11 L L 0.0127
12 P L -0.5154
13 V L 0.0000
14 S L -0.5284
15 L L -0.2916
16 G L -1.1601
17 G L -1.3683
18 Q L -2.3010
19 A L 0.0000
20 S L -1.1182
21 I L 0.0000
22 S L -0.9191
23 C L 0.0000
24 R L -2.2991
25 S L 0.0000
26 T L -0.8987
27 Q L -1.4125
28 T L -0.7529
29 I L 0.0000
30 L L 0.0189
31 H L -0.8557
32 S L -1.1302
33 N L -1.8886
34 G L -1.5421
35 K L -1.7524
36 T L -0.6443
37 Y L -0.1658
38 L L 0.0000
39 E L 0.0000
40 W L 0.0000
41 Y L 0.0000
42 F L 0.0000
43 L L 0.0000
44 R L -1.7029
45 P L -1.3397
46 G L -1.5406
47 Q L -2.1515
48 S L -1.6189
49 P L 0.0000
50 K L -1.2425
51 L L 0.0000
52 L L 0.0000
53 I L 0.0000
54 Y L -0.2406
55 Q L -0.5663
56 V L -0.4688
57 S L -0.7476
58 N L -1.0415
59 R L -1.6153
60 F L -0.6403
61 S L -0.6151
62 G L -0.8991
63 V L 0.0000
64 P L -1.3580
65 D L -2.2748
66 R L -2.3806
67 F L 0.0000
68 S L -1.6001
69 G L 0.0000
70 S L -0.9574
71 G L -1.0676
72 S L -0.8000
73 G L -0.7790
74 T L -1.4712
75 D L -2.1143
76 F L 0.0000
77 T L -1.1732
78 L L 0.0000
79 K L -2.3507
80 I L 0.0000
81 S L -2.4303
82 R L -2.7023
83 V L 0.0000
84 E L -2.1075
85 S L -1.1787
86 E L -2.1719
87 D L 0.0000
88 L L -0.6282
89 G L -0.6813
90 L L -0.5686
91 Y L 0.0000
92 Y L 0.0000
93 C L 0.0000
94 F L 0.0000
95 Q L 0.0000
96 G L 0.3641
97 S L 0.0000
98 H L 0.4200
99 F L 1.5231
100 P L 0.5155
101 Y L 0.6848
102 T L 0.2447
103 F L 0.0000
104 G L 0.0000
105 G L -0.3010
106 G L 0.0000
107 T L 0.0000
108 K L -0.4879
109 L L 0.0000
110 E L -0.3753
111 I L 0.3085
112 K L -1.1240
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Laboratory of Theory of Biopolymers 2018