Project name: 1347

Status: done

Started: 2025-06-25 14:10:08
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Chain sequence(s) H: EVQLLESGGGSVQPGGSLRLSCAASGVTYSHYWLGWFRQAPGKEREGVAAIYTNDGTTYYGDSVKGRFTISRDNSKNTLYLQMSSLRPEDTAVYYCALRGNDGSWFSPLQPYHYNYWGQGTQVTVSS
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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)
Show buried residues

Minimal score value
-2.7976
Maximal score value
1.2
Average score
-0.7565
Total score value
-96.0719

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 -2.1473
2 V H 0.0000
3 Q H -1.3327
4 L H 0.0000
5 L H 0.8517
6 E H 0.0204
7 S H -0.6858
8 G H -1.2352
9 G H -1.0552
11 G H -0.7503
12 S H -0.6676
13 V H -0.8621
14 Q H -1.7537
15 P H -1.7969
16 G H -1.3262
17 G H -1.0213
18 S H -1.0975
19 L H -1.0559
20 R H -2.1326
21 L H 0.0000
22 S H -0.4847
23 C H 0.0000
24 A H -0.1733
25 A H -0.4670
26 S H -0.9891
27 G H -1.1063
28 V H -0.4270
29 T H 0.0204
30 Y H 0.5064
35 S H -0.5777
36 H H -1.6154
37 Y H 0.0000
38 W H 0.0000
39 L H 0.0000
40 G H 0.0000
41 W H 0.0000
42 F H 0.0000
43 R H 0.0000
44 Q H -1.5637
45 A H -1.4837
46 P H -1.0600
47 G H -1.4723
48 K H -2.2819
49 E H -2.7976
50 R H -1.9513
51 E H -1.5056
52 G H -0.8576
53 V H 0.0000
54 A H 0.0000
55 A H 0.0000
56 I H 0.0000
57 Y H 0.0000
58 T H -1.3727
59 N H -1.9617
62 D H -2.4638
63 G H -1.4393
64 T H -0.6483
65 T H 0.0016
66 Y H 0.2444
67 Y H -0.5381
68 G H -1.1758
69 D H -2.3372
70 S H -1.7421
71 V H 0.0000
72 K H -2.4520
74 G H -1.6124
75 R H -1.2876
76 F H 0.0000
77 T H -0.7913
78 I H 0.0000
79 S H -0.5507
80 R H -1.1731
81 D H -1.8381
82 N H -2.3419
83 S H -1.8882
84 K H -2.5387
85 N H -1.8889
86 T H -1.0951
87 L H 0.0000
88 Y H -0.6169
89 L H 0.0000
90 Q H -1.4041
91 M H 0.0000
92 S H -1.0270
93 S H -1.0452
94 L H 0.0000
95 R H -2.4106
96 P H -2.0119
97 E H -2.3772
98 D H 0.0000
99 T H -1.0990
100 A H 0.0000
101 V H -0.3017
102 Y H 0.0000
103 Y H -0.1109
104 C H 0.0000
105 A H 0.0000
106 L H 0.0000
107 R H 0.0000
108 G H -1.3963
109 N H -2.6414
110 D H -2.6918
111 G H -1.2499
111A S H 0.0002
111B W H 1.0874
111C F H 1.2000
112D S H 0.6012
112C P H 0.0000
112B L H 0.2888
112A Q H -0.3791
112 P H -0.0842
113 Y H 0.7849
114 H H -0.4750
115 Y H 0.0000
116 N H -0.8506
117 Y H -0.3903
118 W H 0.0131
119 G H -0.1573
120 Q H -1.0214
121 G H -0.5149
122 T H -0.5980
123 Q H -1.0317
124 V H 0.0000
125 T H -0.9121
126 V H 0.0000
127 S H -1.1429
128 S H -0.8795
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Laboratory of Theory of Biopolymers 2018