Project name: huEgA1

Status: done

Started: 2026-01-17 14:34:41
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLKLSCAASGRTFSSYAMGWFRQAPGKGRELVAAIRWSGGYAYYTDSVKGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAATYLSSDYSRYALPQRPLDYDYWGQGTQVTVSS
input PDB
Selected Chain(s) A
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:51)
Show buried residues

Minimal score value
-2.7358
Maximal score value
1.2197
Average score
-0.7432
Total score value
-96.6128

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 A -2.4859
2 V A 0.0000
3 Q A -1.3593
4 L A 0.0000
5 V A 1.2197
6 E A 0.0000
7 S A -0.4914
8 G A -1.0994
9 G A -0.8415
10 G A -0.1060
11 L A 0.9164
12 V A 0.0000
13 Q A -1.4007
14 P A -1.6004
15 G A -1.4012
16 G A -0.9696
17 S A -1.2860
18 L A -1.0182
19 K A -1.9995
20 L A 0.0000
21 S A -0.2673
22 C A 0.0000
23 A A -0.1001
24 A A 0.0000
25 S A -1.3865
26 G A -2.1175
27 R A -2.4344
28 T A -1.2393
29 F A 0.0000
30 S A -0.7702
31 S A -0.1081
32 Y A 0.0000
33 A A 0.0000
34 M A 0.0000
35 G A 0.0000
36 W A 0.0000
37 F A 0.0000
38 R A 0.0000
39 Q A -1.8170
40 A A -1.7666
41 P A -1.2073
42 G A -1.6502
43 K A -2.7358
44 G A -2.3336
45 R A -2.6311
46 E A -2.7311
47 L A 0.0000
48 V A 0.0000
49 A A 0.0000
50 A A 0.0000
51 I A 0.0000
52 R A 0.0000
53 W A -0.0528
54 S A -0.5213
55 G A -0.6300
56 G A -0.5532
57 Y A 0.0737
58 A A 0.4356
59 Y A 0.1703
60 Y A -0.8001
61 T A -1.4691
62 D A -2.4453
63 S A -1.7617
64 V A 0.0000
65 K A -2.5688
66 G A -1.7525
67 R A -1.5381
68 F A 0.0000
69 T A -0.7858
70 I A 0.0000
71 S A -0.3693
72 R A -0.9604
73 D A -1.5636
74 N A -1.7790
75 A A -1.4957
76 K A -2.4377
77 R A -2.3499
78 M A -0.9755
79 V A 0.0000
80 Y A -0.3453
81 L A 0.0000
82 Q A -1.2664
83 M A 0.0000
84 N A -1.3999
85 S A -1.1807
86 L A 0.0000
87 R A -2.2093
88 A A -1.6959
89 E A -2.2130
90 D A 0.0000
91 T A -0.8975
92 A A 0.0000
93 V A -0.6467
94 Y A 0.0000
95 Y A -0.3116
96 C A 0.0000
97 A A 0.0000
98 A A 0.0000
99 T A 0.0000
100 Y A 0.9077
101 L A 0.0000
102 S A -0.3680
103 S A -1.1672
104 D A -2.0536
105 Y A -0.8271
106 S A -0.9366
107 R A -1.5068
108 Y A 0.5161
109 A A 0.1621
110 L A 0.0000
111 P A -0.6720
112 Q A -1.7396
113 R A -2.2894
114 P A -1.2950
115 L A 0.2787
116 D A -0.6593
117 Y A 0.0000
118 D A -1.1997
119 Y A -0.9174
120 W A -0.2738
121 G A -0.1206
122 Q A -0.8765
123 G A -0.5360
124 T A -0.7382
125 Q A -1.0837
126 V A 0.0000
127 T A -0.3741
128 V A 0.0000
129 S A -0.7513
130 S A -0.5759
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Laboratory of Theory of Biopolymers 2018