Project name: 2A11

Status: done

Started: 2025-06-25 13:35:11
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Chain sequence(s) H: QVQLQESGGGSVPAGGSLRLSCAASGSTYSANCMGWFRQAPGKEREEVASMSIRSGRTYYSDSVKGRFTISQDGSKNTLYLQLNSLKAEDTALYYCAAAYGGSRCVYNYRGQGTQVTVSS
input PDB
Selected Chain(s) H
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 H 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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:44)
Show buried residues

Minimal score value
-3.2101
Maximal score value
1.1761
Average score
-0.8863
Total score value
-106.357

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 -1.6216
2 V H 0.0000
3 Q H -1.9039
4 L H -1.5032
5 Q H -1.9230
6 E H -1.3038
7 S H -1.1001
8 G H -1.0957
9 G H -0.9951
11 G H -0.7691
12 S H -0.4794
13 V H -0.4428
14 P H -0.7564
15 A H -1.2124
16 G H -1.1732
17 G H -0.8065
18 S H -0.9769
19 L H -0.8546
20 R H -1.6675
21 L H 0.0000
22 S H -0.8190
23 C H 0.0000
24 A H -1.2075
25 A H -1.0978
26 S H -1.1621
27 G H -1.1128
28 S H -0.6593
29 T H -0.2577
30 Y H 0.9430
35 S H -0.1185
36 A H -0.2881
37 N H -0.3909
38 C H -0.2282
39 M H 0.1122
40 G H 0.0000
41 W H 0.0000
42 F H -0.5600
43 R H 0.0000
44 Q H -1.6808
45 A H 0.0000
46 P H -1.3898
47 G H -1.6899
48 K H -2.7156
49 E H -3.2101
50 R H -2.6316
51 E H -1.9254
52 E H -0.9104
53 V H 0.0000
54 A H 0.0000
55 S H 0.0000
56 M H 0.0000
57 S H -1.2007
58 I H -1.1674
59 R H -2.2078
62 S H -1.7343
63 G H -1.7826
64 R H -2.1393
65 T H -0.5304
66 Y H 0.0309
67 Y H -0.4596
68 S H -1.2623
69 D H -2.3636
70 S H -1.9473
71 V H 0.0000
72 K H -2.4645
74 G H -1.7467
75 R H -1.7247
76 F H 0.0000
77 T H -0.6873
78 I H 0.0000
79 S H -0.4673
80 Q H -1.2551
81 D H -1.7344
82 G H -1.7688
83 S H -1.7104
84 K H -2.6067
85 N H -2.2575
86 T H -1.5355
87 L H 0.0000
88 Y H -0.4770
89 L H 0.0000
90 Q H -1.0551
91 L H 0.0000
92 N H -1.3201
93 S H -1.1844
94 L H 0.0000
95 K H -2.5986
96 A H -1.8131
97 E H -2.4273
98 D H 0.0000
99 T H -1.0862
100 A H 0.0000
101 L H -0.2907
102 Y H 0.0000
103 Y H -0.8429
104 C H 0.0000
105 A H 0.0000
106 A H 0.0403
107 A H 0.0000
108 Y H 0.2351
109 G H -0.5478
110 G H -1.0906
111 S H -0.8953
112 R H -1.4377
113 C H -0.0443
114 V H 1.1761
115 Y H 0.2743
116 N H -0.7041
117 Y H -0.9210
118 R H -1.7320
119 G H 0.0000
120 Q H -1.7342
121 G H -1.1848
122 T H -0.9628
123 Q H -1.0629
124 V H 0.0000
125 T H -0.7881
126 V H 0.0000
127 S H -0.9122
128 S H -0.6608
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Laboratory of Theory of Biopolymers 2018