Project name: 56b4007bd948baf

Status: done

Started: 2025-08-12 19:03:12
Settings
Chain sequence(s) A: MQVQLVESGGGSVQAGGSLRLSCTASGTKELKYAAFDLGWFRQAPGQEREAVAAIDRDGGITYYADSVKGRFTISRDNAKNTVTLQMNNLKPVDTAIYYCAARRSRNRTYESWGQGTQVTVSGGGGSHHHHHHLENWSHPQFEK
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]                                                (00:00:00)
[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 A 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                                          (00:02:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:50)
Show buried residues

Minimal score value
-3.9199
Maximal score value
1.303
Average score
-1.0511
Total score value
-151.3543

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 M A 0.0992
2 Q A -1.2750
3 V A -1.0757
4 Q A -1.0142
5 L A 0.0000
6 V A 0.8684
7 E A -0.0291
8 S A -0.6399
9 G A -1.3217
10 G A -1.2628
11 G A -0.9557
12 S A -0.7580
13 V A -0.8881
14 Q A -1.9803
15 A A -1.7388
16 G A -1.9537
17 G A -1.4300
18 S A -1.6138
19 L A -1.3976
20 R A -2.3522
21 L A 0.0000
22 S A -0.6341
23 C A 0.0000
24 T A -0.2559
25 A A 0.0000
26 S A -0.7664
27 G A -0.8842
28 T A -0.6548
29 K A -1.1405
30 E A 0.0000
31 L A -0.0227
32 K A -1.3447
33 Y A 0.0000
34 A A -1.1991
35 A A -1.3158
36 F A 0.0000
37 D A -1.3076
38 L A 0.0000
39 G A 0.0000
40 W A 0.0000
41 F A -0.8932
42 R A -1.7442
43 Q A -2.4929
44 A A -1.5210
45 P A -1.3167
46 G A -1.7996
47 Q A -3.1674
48 E A -3.9199
49 R A -3.7873
50 E A -3.2911
51 A A -1.3603
52 V A 0.0000
53 A A 0.0000
54 A A 0.6219
55 I A 0.0000
56 D A 0.0000
57 R A -1.7877
58 D A -2.3558
59 G A -1.4161
60 G A -0.7067
61 I A 0.7064
62 T A 1.0162
63 Y A 1.3030
64 Y A -0.1092
65 A A -1.1781
66 D A -2.1902
67 S A -1.4682
68 V A 0.0000
69 K A -2.4290
70 G A -1.8692
71 R A -1.8430
72 F A 0.0000
73 T A -0.8261
74 I A 0.0000
75 S A -0.5101
76 R A -1.4269
77 D A -1.7430
78 N A -1.9676
79 A A -1.1346
80 K A -2.0063
81 N A -1.3978
82 T A -0.9384
83 V A 0.0000
84 T A -0.8792
85 L A 0.0000
86 Q A -1.6677
87 M A 0.0000
88 N A -1.9672
89 N A -2.3158
90 L A 0.0000
91 K A -1.5578
92 P A -0.3030
93 V A 1.1240
94 D A 0.0000
95 T A -0.0170
96 A A 0.0000
97 I A -0.5464
98 Y A 0.0000
99 Y A -0.3761
100 C A 0.0000
101 A A 0.0000
102 A A 0.0000
103 R A -2.2212
104 R A -2.4652
105 S A -2.1647
106 R A -3.0833
107 N A -3.3724
108 R A -3.2805
109 T A -2.1298
110 Y A -1.6248
111 E A -2.3813
112 S A 0.0000
113 W A -0.3859
114 G A -0.1948
115 Q A -1.0176
116 G A -0.6024
117 T A 0.0000
118 Q A -1.4476
119 V A 0.0000
120 T A -0.6166
121 V A 0.0000
122 S A -1.1653
123 G A -1.6365
124 G A -1.3872
125 G A -1.0755
126 G A -1.3033
127 S A -1.6372
128 H A -2.0343
129 H A -2.4634
130 H A -2.6854
131 H A -2.4411
132 H A -2.0331
133 H A -1.6135
134 L A -0.3550
135 E A -1.8188
136 N A -1.4626
137 W A -0.4215
138 S A -0.8261
139 H A -1.1125
140 P A -0.8982
141 Q A -1.5682
142 F A -0.4036
143 E A -2.1842
144 K A -2.1386
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Laboratory of Theory of Biopolymers 2018