Project name: cdb5d4de9ad4da3

Status: done

Started: 2025-03-05 15:11:55
Settings
Chain sequence(s) H: EVQLLESGGGLVQAGGSLRLSCAASGFTFSNYAMGWYRQAPGKERELVSAISSGSSTYYADSVKGRFTISRDNSKNTLYLQMNSLRPEDTAVYYCAPLAEPDSGSGSYYPTGYWGQGTQVTVSS
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)
Show buried residues

Minimal score value
-3.2902
Maximal score value
1.2104
Average score
-0.6388
Total score value
-79.2135

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 -1.9843
2 V H -1.0650
3 Q H -1.0627
4 L H 0.0000
5 L H 0.6538
6 E H -0.0395
7 S H -0.6290
8 G H -0.9947
9 G H -0.5642
11 G H 0.2210
12 L H 1.1568
13 V H 0.0774
14 Q H -1.2243
15 A H -1.5685
16 G H -1.2932
17 G H -0.8484
18 S H -0.9660
19 L H -0.4943
20 R H -1.2622
21 L H 0.0000
22 S H -0.2807
23 C H 0.0000
24 A H -0.1850
25 A H 0.0000
26 S H -0.8300
27 G H -1.1925
28 F H -0.5818
29 T H -0.4678
30 F H 0.0000
35 S H -1.2892
36 N H -1.2591
37 Y H -0.2634
38 A H -0.3242
39 M H 0.0000
40 G H 0.0000
41 W H 0.0000
42 Y H 0.2033
43 R H 0.0000
44 Q H -1.6613
45 A H -1.7897
46 P H -1.3628
47 G H -1.9145
48 K H -3.2060
49 E H -3.2902
50 R H -2.1579
51 E H -1.3323
52 L H 0.0555
53 V H 0.0000
54 S H 0.0000
55 A H 0.4993
56 I H 0.0000
57 S H -0.3413
58 S H -0.7802
59 G H -0.8454
63 S H -0.5472
64 S H -0.2716
65 T H 0.2855
66 Y H 0.7352
67 Y H -0.3434
68 A H -1.0435
69 D H -2.3763
70 S H -1.7616
71 V H 0.0000
72 K H -2.4379
74 G H -1.7124
75 R H -1.3995
76 F H 0.0000
77 T H -0.5527
78 I H 0.0000
79 S H -0.3692
80 R H -1.0813
81 D H -1.7003
82 N H -2.1834
83 S H -1.7735
84 K H -2.5070
85 N H -1.9257
86 T H -1.1080
87 L H 0.0000
88 Y H -0.2865
89 L H 0.0000
90 Q H -0.7843
91 M H 0.0000
92 N H -1.1771
93 S H -1.1151
94 L H 0.0000
95 R H -2.2541
96 P H -1.8388
97 E H -2.2980
98 D H 0.0000
99 T H -0.7843
100 A H 0.0000
101 V H -0.2122
102 Y H 0.0000
103 Y H 0.0944
104 C H 0.0000
105 A H 0.0000
106 P H 0.0000
107 L H 0.3159
108 A H -0.3682
109 E H -1.0669
110 P H -1.5301
111 D H -2.1829
111A S H -1.2701
111B G H -0.7253
112C S H -0.7026
112B G H -1.0188
112A S H 0.0142
112 Y H 1.2104
113 Y H 1.0891
114 P H 0.3461
115 T H 0.4982
116 G H 0.4994
117 Y H 0.5141
118 W H 0.7001
119 G H 0.0000
120 Q H -0.8600
121 G H -0.4195
122 T H -0.6011
123 Q H -0.7089
124 V H 0.0000
125 T H -0.1275
126 V H 0.0000
127 S H -0.7596
128 S H -0.8452
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Laboratory of Theory of Biopolymers 2018