Project name: d3372061e24002a

Status: done

Started: 2025-07-24 18:26:28
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Chain sequence(s) A: MAAVLLPVLLAAPFNLPPGNYKKPKLLYCSNGGHFLRILPDGTVDGTRDRSDQHIQLQLSAESVGEVYIKSTETGQYLAMDTDGLLYGSQTPNEECLFLERLEENHYNTYISKKHAERNWFVGLKKNGSCKRGPRTHYGQKAILFLPLPVSSD
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                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:54)
Show buried residues

Minimal score value
-3.6154
Maximal score value
3.5146
Average score
-0.6885
Total score value
-105.345

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 1.3105
2 A A 1.2860
3 A A 1.8489
4 V A 3.1057
5 L A 3.3648
6 L A 3.4130
7 P A 2.7617
8 V A 3.5146
9 L A 3.3447
10 L A 2.7970
11 A A 1.9478
12 A A 1.0621
13 P A 0.5918
14 F A 1.3877
15 N A 0.0110
16 L A 0.5816
17 P A -0.2134
18 P A -0.5073
19 G A -0.9076
20 N A -2.2539
21 Y A -2.1198
22 K A -3.0563
23 K A -2.9227
24 P A -1.7815
25 K A -0.8185
26 L A 0.0000
27 L A 0.0000
28 Y A 0.0158
29 C A 0.0000
30 S A -0.7175
31 N A 0.0000
32 G A -1.8877
33 G A -1.2963
34 H A 0.0000
35 F A 0.0000
36 L A 0.0000
37 R A -0.9457
38 I A 0.0000
39 L A -0.9305
40 P A -1.4941
41 D A -1.8247
42 G A -1.0598
43 T A -0.5100
44 V A 0.0000
45 D A -0.5808
46 G A -1.3713
47 T A -2.1056
48 R A -3.1907
49 D A -3.6154
50 R A -3.3504
51 S A -2.2083
52 D A -2.3719
53 Q A -2.4392
54 H A -1.7591
55 I A 0.0000
56 Q A -1.6837
57 L A 0.0000
58 Q A -1.9484
59 L A 0.0000
60 S A -1.4752
61 A A -0.8454
62 E A -1.6020
63 S A -0.2861
64 V A 0.8895
65 G A 0.1073
66 E A -0.6015
67 V A 0.0000
68 Y A -0.8722
69 I A 0.0000
70 K A -1.2123
71 S A 0.0000
72 T A -1.6359
73 E A -2.4172
74 T A -1.6336
75 G A -1.1994
76 Q A 0.0000
77 Y A -0.5821
78 L A 0.0000
79 A A 0.0000
80 M A 0.0000
81 D A -1.1858
82 T A -1.1858
83 D A -1.9000
84 G A 0.0000
85 L A -0.2871
86 L A 0.0000
87 Y A 0.0286
88 G A -0.6063
89 S A 0.0000
90 Q A -1.3948
91 T A -0.9211
92 P A -1.1730
93 N A -1.7387
94 E A -2.6729
95 E A -1.8460
96 C A 0.0000
97 L A 0.0000
98 F A 0.0000
99 L A -0.3586
100 E A -0.2947
101 R A -0.4733
102 L A -0.1733
103 E A -1.4280
104 E A -2.6368
105 N A -2.4996
106 H A -1.9835
107 Y A -1.0613
108 N A -0.6143
109 T A 0.0000
110 Y A 0.0000
111 I A 0.0000
112 S A 0.0000
113 K A -2.2752
114 K A -2.5691
115 H A 0.0000
116 A A -2.4063
117 E A -3.3130
118 R A -3.5481
119 N A -2.8684
120 W A -1.9597
121 F A 0.0000
122 V A 0.0000
123 G A 0.0000
124 L A 0.0000
125 K A -2.5745
126 K A -3.0621
127 N A -2.4703
128 G A 0.0000
129 S A -1.2364
130 C A -0.8016
131 K A -1.3966
132 R A -1.7180
133 G A 0.0000
134 P A -2.1166
135 R A -2.5025
136 T A 0.0000
137 H A -1.5851
138 Y A 0.1356
139 G A -0.6227
140 Q A -1.3214
141 K A -2.1279
142 A A 0.0000
143 I A 0.0000
144 L A -0.5796
145 F A 0.0000
146 L A 0.1986
147 P A 0.2325
148 L A 0.4504
149 P A -0.4177
150 V A -0.1148
151 S A -0.4434
152 S A -1.1653
153 D A -1.8660
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Laboratory of Theory of Biopolymers 2018