Project name: a85b5ea66cf9ee4

Status: done

Started: 2025-11-10 20:33:54
Settings
Chain sequence(s) A: EVQLVESGGGLVQPGRSLRLSCAASGFTFDDYAMHWVRQAPGKGLEWVSAITWNSGHIDYADSVEGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAKVSYLSTASSLDYWGQGTLVTVSSASTKGPSVFPLTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSTQTYICNVNHKPSNT
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                                          (00:02:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:30)
Show buried residues

Minimal score value
-2.9694
Maximal score value
2.3077
Average score
-0.4526
Total score value
-90.0737

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 -1.9403
2 V A -0.7118
3 Q A -0.7875
4 L A 0.0000
5 V A 0.7434
6 E A 0.0000
7 S A -0.3529
8 G A -0.9434
9 G A -0.6963
10 G A -0.3688
11 L A -0.2421
12 V A 0.0000
13 Q A -2.0207
14 P A -2.1431
15 G A -2.3491
16 R A -2.9288
17 S A -2.1594
18 L A -1.6077
19 R A -2.1361
20 L A 0.0000
21 S A -0.4814
22 C A 0.0000
23 A A -0.2420
24 A A -0.3960
25 S A -0.6745
26 G A -0.9349
27 F A -0.5735
28 T A -0.8882
29 F A 0.0000
30 D A -2.7149
31 D A -1.2645
32 Y A -0.1604
33 A A 0.0000
34 M A 0.0000
35 H A -0.0468
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.4317
40 A A -1.0868
41 P A -0.9936
42 G A -1.3643
43 K A -2.0463
44 G A -0.9312
45 L A 0.5487
46 E A -0.1811
47 W A 0.4107
48 V A 0.0000
49 S A 0.0000
50 A A -0.3433
51 I A 0.0000
52 T A 0.0000
53 W A -1.0906
54 N A -1.9228
55 S A -1.0063
56 G A -1.0691
57 H A -1.2168
58 I A -0.4058
59 D A -1.8409
60 Y A -1.5103
61 A A -1.6987
62 D A -2.6783
63 S A -1.6530
64 V A 0.0000
65 E A -2.9694
66 G A -1.8282
67 R A -1.2987
68 F A 0.0000
69 T A -0.9914
70 I A 0.0000
71 S A -0.3707
72 R A -1.2020
73 D A -1.8237
74 N A -2.2314
75 A A -1.6026
76 K A -2.4523
77 N A -2.1517
78 S A 0.0000
79 L A 0.0000
80 Y A -0.6098
81 L A 0.0000
82 Q A -1.5706
83 M A 0.0000
84 N A -2.3275
85 S A -1.8390
86 L A 0.0000
87 R A -2.7693
88 A A -1.8197
89 E A -2.2901
90 D A 0.0000
91 T A -0.8216
92 A A 0.0000
93 V A 0.2291
94 Y A 0.0000
95 Y A 0.2719
96 C A 0.0000
97 A A 0.0000
98 K A 0.0000
99 V A 0.0000
100 S A 0.3411
101 Y A 1.4226
102 L A 1.5048
103 S A 0.7040
104 T A 0.3142
105 A A 0.3114
106 S A 0.1929
107 S A -0.2799
108 L A -0.1653
109 D A -0.8873
110 Y A 0.5351
111 W A 0.6085
112 G A 0.1758
113 Q A -0.8306
114 G A 0.0000
115 T A -0.0194
116 L A 0.0551
117 V A 0.0000
118 T A -0.5114
119 V A 0.0000
120 S A -0.7031
121 S A -0.6918
122 A A -0.5229
123 S A -0.7197
124 T A -1.0164
125 K A -2.1397
126 G A -1.7576
127 P A -0.7206
128 S A 0.0183
129 V A 1.1728
130 F A 1.6484
131 P A 1.4608
132 L A 2.0083
143 T A -0.2460
144 A A -0.1266
145 A A 0.3928
146 L A 1.0500
147 G A 0.0000
148 C A 0.0000
149 L A 1.2037
150 V A 0.0000
151 K A -0.3900
152 D A -0.5106
153 Y A 0.0000
154 F A 0.0000
155 P A 0.0000
156 E A -0.7495
157 P A -0.8851
158 V A 0.0000
159 T A -0.9394
160 V A 0.0000
161 S A -0.5925
162 W A 0.0000
163 N A -0.1397
164 S A -0.4756
165 G A -0.7624
166 A A -0.2125
167 L A 0.1154
168 T A -0.1551
169 S A -0.3157
170 G A -0.3381
171 V A 0.2307
172 H A -0.2041
173 T A 0.2417
174 F A 0.9073
175 P A 0.5043
176 A A 1.1371
177 V A 2.3077
178 L A 1.7985
179 Q A 0.2718
180 S A -0.0901
181 S A -0.2990
182 G A 0.1923
183 L A 0.0736
184 Y A 0.7717
185 S A 0.5356
186 L A 0.0000
187 S A 0.6515
188 S A 0.0000
189 V A 0.9091
190 V A 0.0000
191 T A -0.0964
192 V A 0.0000
193 P A -0.4657
194 S A -0.3569
199 T A -0.3970
200 Q A -0.5621
201 T A 0.0674
202 Y A 0.8086
203 I A 1.1550
204 C A 0.5802
205 N A -1.0367
206 V A -0.6879
207 N A -2.1425
208 H A 0.0000
209 K A -2.6599
210 P A -1.9022
211 S A -1.9476
212 N A -2.3826
213 T A -1.4167
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Laboratory of Theory of Biopolymers 2018