Project name: c049ec529cb38e9

Status: done

Started: 2025-06-03 05:05:16
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Chain sequence(s) H: EVQLLESGGGLVQPGGSLRLSCAASGIDLSTYAMGWVRQAPGKGLEWVGLIHRSGRTYYATWAKGRFTISKDSSKNTLYLQMNSLRAEDTAVYYCTRSYPDYSATASIWGQGTTVTVSS
L: DIQVTQSPSSLSASVGDRVTITCQASENIANALAWYQQKPGKPPKFLIYGASNLASGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQAYYGNSFVEGTFGGGTKVEIK
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                                          (00:01:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)
Show buried residues

Minimal score value
-2.8289
Maximal score value
1.1355
Average score
-0.6227
Total score value
-143.2154

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 -1.7788
2 V H -0.6964
3 Q H -0.7747
4 L H 0.0000
5 L H 0.6917
6 E H 0.0000
7 S H -0.5408
8 G H -0.8354
9 G H -0.4258
11 G H 0.3743
12 L H 1.1355
13 V H -0.0604
14 Q H -1.3370
15 P H -1.4412
16 G H -1.3457
17 G H -1.1049
18 S H -0.9972
19 L H -0.8214
20 R H -1.7194
21 L H 0.0000
22 S H -0.4311
23 C H 0.0000
24 A H -0.1997
25 A H -0.4730
26 S H -0.8402
27 G H -1.1868
28 I H 0.0000
29 D H -1.2578
30 L H 0.0000
35 S H -1.3058
36 T H -1.0042
37 Y H -0.6290
38 A H -0.8314
39 M H 0.0000
40 G H 0.0000
41 W H 0.0000
42 V H 0.0000
43 R H 0.0000
44 Q H -0.8314
45 A H -1.2502
46 P H -1.1978
47 G H -1.4553
48 K H -2.2469
49 G H -1.4062
50 L H 0.0000
51 E H -0.8422
52 W H 0.0000
53 V H 0.0000
54 G H 0.0000
55 L H 0.0000
56 I H 0.0000
57 H H -1.6463
58 R H -2.4507
59 S H -1.5998
63 G H -1.6105
64 R H -1.5590
65 T H -0.7476
66 Y H -0.3273
67 Y H -0.2421
68 A H 0.0000
69 T H -0.5233
70 W H -0.1100
71 A H 0.0000
72 K H -1.6414
74 G H -1.3893
75 R H -1.2708
76 F H 0.0000
77 T H -0.8132
78 I H 0.0000
79 S H -0.5966
80 K H -1.1906
81 D H -1.2668
82 S H -1.4141
83 S H -1.3626
84 K H -2.1590
85 N H -1.7406
86 T H 0.0000
87 L H 0.0000
88 Y H -0.5740
89 L H 0.0000
90 Q H -1.1753
91 M H 0.0000
92 N H -1.2773
93 S H -1.2552
94 L H 0.0000
95 R H -2.5844
96 A H -1.8342
97 E H -2.3493
98 D H 0.0000
99 T H -0.7409
100 A H 0.0000
101 V H -0.0732
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 T H 0.0000
106 R H 0.0000
107 S H 0.1861
108 Y H 0.4781
109 P H -0.3756
110 D H -1.0999
111 Y H 0.5746
112 S H 0.0000
113 A H 0.4308
114 T H 0.0000
115 A H 0.0000
116 S H 0.2381
117 I H 0.3025
118 W H -0.3179
119 G H 0.0000
120 Q H -1.4605
121 G H -0.7383
122 T H -0.3070
123 T H -0.1145
124 V H 0.0000
125 T H -0.1213
126 V H 0.0000
127 S H -0.5491
128 S H -0.4678
1 D L -2.3282
2 I L 0.0000
3 Q L -2.2423
4 V L 0.0000
5 T L -1.1218
6 Q L -0.6858
7 S L -0.5585
8 P L -0.5928
9 S L -0.7955
10 S L -1.0223
11 L L -0.6143
12 S L -0.9227
13 A L -1.0877
14 S L -0.8812
15 V L 0.0123
16 G L -0.7582
17 D L -1.8243
18 R L -2.3683
19 V L 0.0000
20 T L -0.6570
21 I L 0.0000
22 T L -0.7539
23 C L 0.0000
24 Q L -2.2604
25 A L 0.0000
26 S L -2.2837
27 E L -2.8289
28 N L -2.4258
29 I L 0.0000
36 A L -1.1132
37 N L -1.1870
38 A L -0.0091
39 L L 0.0000
40 A L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L -0.7316
44 Q L 0.0000
45 K L -1.6148
46 P L -1.1433
47 G L -1.6838
48 K L -2.6489
49 P L -1.6450
50 P L 0.0000
51 K L -1.2623
52 F L -0.1554
53 L L 0.0000
54 I L 0.0000
55 Y L 0.2857
56 G L 0.0000
57 A L 0.0000
65 S L -0.5627
66 N L -0.3700
67 L L 0.2181
68 A L 0.0000
69 S L -0.2916
70 G L -0.4268
71 V L -0.2427
72 P L -0.3211
74 S L -0.3772
75 R L -0.7402
76 F L 0.0000
77 S L -0.3831
78 G L -0.3249
79 S L -0.9027
80 G L -1.2803
83 S L -1.5054
84 G L -1.7693
85 T L -2.2100
86 D L -2.4712
87 F L 0.0000
88 T L -0.7447
89 F L 0.0000
90 T L 0.0000
91 I L 0.0000
92 S L -1.3976
93 S L -1.2308
94 L L 0.0000
95 Q L -0.8566
96 P L -0.9450
97 E L -1.6838
98 D L 0.0000
99 I L -0.2392
100 A L 0.0000
101 T L -0.7922
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 A L 0.0000
108 Y L 0.9084
109 Y L 0.4785
110 G L -0.2465
111 N L -1.1133
112 S L -0.9766
113 F L -0.7740
114 V L 0.0000
115 E L -0.6771
116 G L 0.0000
117 T L -0.6683
118 F L 0.0000
119 G L 0.0000
120 G L -1.1977
121 G L 0.0000
122 T L 0.0000
123 K L -1.5038
124 V L 0.0000
125 E L -1.4046
126 I L -0.7776
127 K L -1.5681
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Laboratory of Theory of Biopolymers 2018