Project name: 298

Status: done

Started: 2025-06-25 13:28:53
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Chain sequence(s) H: EVQLVESGGGLVQPGGSLRLSCTASGYTNRLKCMGWFRQAPGKEREEIATISTGTGNTYYADSVKGRFTFSRDNSKNTLYLQMNSLRAEDTAVYYCAADVRPDGTTCHYNSGGQGTQVTVSS
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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)
Show buried residues

Minimal score value
-3.8061
Maximal score value
1.0917
Average score
-0.8773
Total score value
-107.0254

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 -1.6450
2 V H -0.3820
3 Q H -1.0569
4 L H 0.0000
5 V H 0.3825
6 E H -0.1495
7 S H -0.6431
8 G H -0.9445
9 G H -0.5316
11 G H 0.2408
12 L H 1.0917
13 V H 0.0021
14 Q H -1.3372
15 P H -1.5843
16 G H -1.4066
17 G H -0.9540
18 S H -1.0799
19 L H -0.5719
20 R H -1.4309
21 L H 0.0000
22 S H 0.0000
23 C H 0.0000
24 T H -0.4516
25 A H 0.0000
26 S H -0.7725
27 G H -1.1266
28 Y H -1.0746
29 T H -1.2313
30 N H -2.5092
35 R H -2.6233
36 L H 0.0000
37 K H -1.6002
38 C H 0.0000
39 M H 0.0000
40 G H 0.0000
41 W H 0.0000
42 F H -0.8031
43 R H 0.0000
44 Q H -2.1038
45 A H -1.8560
46 P H -1.2632
47 G H -1.9803
48 K H -3.4225
49 E H -3.8061
50 R H -3.2398
51 E H -2.3890
52 E H -1.1980
53 I H 0.0000
54 A H 0.0000
55 T H 0.1552
56 I H 0.0000
57 S H -0.9164
58 T H -1.5465
59 G H -1.1731
62 T H -0.7477
63 G H -0.8419
64 N H -1.0194
65 T H 0.0467
66 Y H 0.6786
67 Y H -0.3284
68 A H -1.1941
69 D H -2.3178
70 S H -1.7009
71 V H 0.0000
72 K H -2.3809
74 G H -1.7276
75 R H -1.4618
76 F H 0.0000
77 T H -0.6433
78 F H 0.0000
79 S H -0.6965
80 R H -1.3446
81 D H -1.9760
82 N H -2.5725
83 S H -1.9664
84 K H -2.6495
85 N H -2.2065
86 T H -1.2506
87 L H 0.0000
88 Y H -0.4358
89 L H 0.0000
90 Q H -0.9895
91 M H 0.0000
92 N H -1.3218
93 S H -1.2533
94 L H 0.0000
95 R H -2.1934
96 A H -1.6542
97 E H -2.1963
98 D H 0.0000
99 T H -0.6972
100 A H 0.0000
101 V H -0.1940
102 Y H 0.0000
103 Y H -0.4407
104 C H 0.0000
105 A H 0.0000
106 A H 0.0000
107 D H 0.0000
108 V H -0.4452
109 R H -1.0270
110 P H -1.3625
111 D H -2.1668
111A G H -1.4198
112A T H -1.0907
112 T H -0.5785
113 C H -0.5070
114 H H -0.9904
115 Y H -0.8135
116 N H -1.4295
117 S H -0.8265
118 G H -0.9477
119 G H -0.7748
120 Q H -1.1940
121 G H -0.6224
122 T H -0.5812
123 Q H -0.4865
124 V H 0.0000
125 T H -0.1335
126 V H 0.0000
127 S H -0.4638
128 S H -0.5546
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Laboratory of Theory of Biopolymers 2018