Project name: b4d52644f7aefdc

Status: done

Started: 2026-03-08 15:48:30
Settings
Chain sequence(s) A: LIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI
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                                          (00:04:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:35)
Show buried residues

Minimal score value
-3.5483
Maximal score value
2.7703
Average score
-1.007
Total score value
-163.1336

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
17 L A 2.7703
18 I A 2.6441
19 V A 2.6142
20 T A 0.9047
21 Q A -0.7777
22 T A -0.7826
23 M A -1.2456
24 K A -2.0776
25 G A -1.3364
26 L A 0.0000
27 D A -1.7889
28 I A -1.6553
29 Q A -2.3328
30 K A -2.7522
31 V A 0.0000
32 A A -1.2863
33 G A -0.9974
34 T A -0.5153
35 W A 0.0000
36 Y A -0.5720
37 S A 0.0000
38 L A 0.0000
39 A A 0.0000
40 M A 0.0000
41 A A 0.0000
42 A A 0.0000
43 S A 0.0000
44 D A -0.8336
45 I A 0.1463
46 S A -0.4392
47 L A -0.5406
48 L A 0.0000
49 D A -1.8213
50 A A -1.3585
51 Q A -1.5953
52 S A -1.7347
53 A A 0.0000
54 P A -0.8346
55 L A 0.0000
56 R A -0.8428
57 V A 0.0000
58 Y A 0.0000
59 V A 0.0000
60 E A -0.7929
61 E A -1.0270
62 L A 0.0000
63 K A -1.2748
64 P A -1.5040
65 T A -1.5458
66 P A -1.4908
67 E A -2.5711
68 G A -2.4069
69 D A -2.3875
70 L A 0.0000
71 E A -0.6837
72 I A 0.0000
73 L A -1.0603
74 L A 0.0000
75 Q A -1.4926
76 K A 0.0000
77 W A -1.6472
78 E A -2.5704
79 N A -2.4904
80 G A -2.3320
81 E A -2.8648
82 C A -1.6888
83 A A -1.7395
84 Q A -2.2206
85 K A -1.9598
86 K A -1.8178
87 I A 0.0000
88 I A 0.2049
89 A A 0.0000
90 E A -3.1602
91 K A -3.2609
92 T A -2.1219
93 K A -1.7242
94 I A -0.6924
95 P A -1.1242
96 A A 0.0000
97 V A 0.0000
98 F A 0.0000
99 K A -2.4254
100 I A 0.0000
101 D A -2.2857
102 A A -1.2975
103 L A -0.8945
104 N A -1.7511
105 E A 0.0000
106 N A -1.8346
107 K A -1.7284
108 V A 0.0000
109 L A 0.0000
110 V A 0.0000
111 L A 0.0000
112 D A -1.0699
113 T A 0.0000
114 D A -1.5737
115 Y A -2.0103
116 K A -2.8086
117 K A -2.7506
118 Y A 0.0000
119 L A 0.0000
120 L A 0.0000
121 F A 0.0000
122 C A 0.0000
123 M A 0.0000
124 E A -1.5938
125 N A -2.0663
126 S A -1.3593
127 A A -1.4227
128 E A -2.9071
129 P A -2.2742
130 E A -2.9200
131 Q A -2.7042
132 S A 0.0000
133 L A 0.0000
134 A A 0.0000
135 C A 0.0000
136 Q A 0.0000
137 C A 0.0000
138 L A 0.0000
139 V A 0.0000
140 R A -1.6473
141 T A -1.2641
142 P A -1.5427
143 E A -1.8514
144 V A -0.4230
145 D A -1.7845
146 D A -2.9491
147 E A -3.3096
148 A A 0.0000
149 L A -2.2552
150 E A -3.5483
151 K A -3.0039
152 F A 0.0000
153 D A -2.9068
154 K A -3.2792
155 A A -2.2133
156 L A 0.0000
157 K A -2.4171
158 A A -0.7021
159 L A -0.4391
160 P A -0.7573
161 M A -0.7496
162 H A -0.7107
163 I A -0.5607
164 R A -1.0706
165 L A -0.4331
166 S A -0.2990
167 F A 0.0000
168 N A -1.5505
169 P A -1.6484
170 T A -1.5046
171 Q A -1.4401
172 L A 0.0000
173 E A -2.9935
174 E A -2.4551
175 Q A -2.1096
176 C A 0.0000
177 H A 0.0000
178 I A 0.8525
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018