Project name: bd68fcf2271d07e

Status: done

Started: 2026-06-18 06:00:59
Settings
Chain sequence(s) A: EVQLVEQSPGNVQPGASLKLSCAASGFTFNKYAMNWVRQAPGKGLEWVARIRSKYQNYATYYADSVKDRFTISRDDSKNTAYLQMNNLKTEDTATYYCVRHGNFGNSYISYWAYWGQGTNVTVSSGGGSGGGSGGGSQTVVTQEPSLTVSPGATVTLTCGSSTGAVTSGYYPNWVQQKPGQAPRGLIGGTKFLAPGTPARFSGSLLGGKAALTLSGVQPEDEAEYYCALWYSNRWVFGGGTKLTVK
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                                          (00:02:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:33)
Show buried residues

Minimal score value
-3.0384
Maximal score value
1.0641
Average score
-0.6767
Total score value
-166.4795

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 -2.0209
2 V A -1.0422
3 Q A -1.0981
4 L A 0.0000
5 V A 0.3869
6 E A 0.0000
7 Q A -1.5048
8 S A -1.6043
9 P A -1.2926
10 G A -1.4571
11 N A -1.7842
12 V A -1.3831
13 Q A -2.0812
14 P A -2.0242
15 G A -1.8424
16 A A -1.5146
17 S A -1.5470
18 L A 0.0000
19 K A -1.8777
20 L A 0.0000
21 S A -0.5362
22 C A 0.0000
23 A A -0.3620
24 A A 0.0000
25 S A -0.9896
26 G A -1.1664
27 F A -0.7072
28 T A -0.7222
29 F A 0.0000
30 N A -1.9162
31 K A -2.0393
32 Y A -0.9562
33 A A 0.0000
34 M A 0.0000
35 N A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -1.0991
40 A A -1.4681
41 P A -1.2495
42 G A -1.4518
43 K A -2.2642
44 G A -1.4490
45 L A 0.0000
46 E A -0.9255
47 W A 0.0000
48 V A 0.0000
49 A A 0.0000
50 R A -0.3529
51 I A 0.0000
52 R A -1.0760
53 S A 0.0000
54 K A -2.0326
55 Y A -0.3300
56 Q A -0.9045
57 N A -1.4881
58 Y A -0.8780
59 A A -0.5136
60 T A -0.2644
61 Y A -0.5374
62 Y A -1.1819
63 A A -1.6725
64 D A -2.7300
65 S A -1.9255
66 V A 0.0000
67 K A -2.8799
68 D A -3.0384
69 R A -2.3451
70 F A 0.0000
71 T A -0.8928
72 I A 0.0000
73 S A -0.2732
74 R A -1.0503
75 D A -1.4760
76 D A -2.1051
77 S A -1.5995
78 K A -2.3850
79 N A -1.7565
80 T A 0.0000
81 A A 0.0000
82 Y A -0.3108
83 L A 0.0000
84 Q A -0.9877
85 M A 0.0000
86 N A -2.1126
87 N A -2.5347
88 L A 0.0000
89 K A -2.6947
90 T A -2.0831
91 E A -2.5507
92 D A 0.0000
93 T A -1.3270
94 A A 0.0000
95 T A -0.7947
96 Y A 0.0000
97 Y A 0.0000
98 C A 0.0000
99 V A 0.0000
100 R A 0.0000
101 H A 0.0000
102 G A 0.0000
103 N A -0.2463
104 F A 0.2182
105 G A -0.7488
106 N A -1.1785
107 S A -0.1369
108 Y A 1.0178
109 I A 0.5806
110 S A 0.0000
111 Y A 0.0000
112 W A 0.0000
113 A A -0.0870
114 Y A -0.0739
115 W A -0.1826
116 G A 0.0000
117 Q A -1.4072
118 G A 0.0000
119 T A -1.1326
120 N A -1.7501
121 V A 0.0000
122 T A -1.4388
123 V A 0.0000
124 S A -1.5385
125 S A -1.3663
126 G A -1.1363
127 G A -1.0821
128 G A -1.1285
129 S A -0.9931
130 G A -1.3538
131 G A -1.4047
132 G A -1.4037
133 S A -1.0041
134 G A -1.2548
135 G A -1.2825
136 G A -1.3102
137 S A -1.0638
138 Q A -1.5096
139 T A -0.2652
140 V A 0.4873
141 V A 0.0000
142 T A -0.2662
143 Q A -0.7511
144 E A -0.9528
145 P A -1.0386
146 S A -0.9262
147 L A -0.1772
148 T A -0.5416
149 V A -0.5750
150 S A -1.0586
151 P A -1.3096
152 G A -0.8286
153 A A -0.4633
154 T A -0.3463
155 V A 0.0000
156 T A 0.0735
157 L A 0.0000
158 T A 0.0000
159 C A 0.0000
160 G A -0.3924
161 S A -0.1887
162 S A -0.2541
163 T A -0.3288
164 G A -0.6239
165 A A -0.3385
166 V A 0.0000
167 T A -0.1016
168 S A -0.2912
169 G A -0.3219
170 Y A 0.1474
171 Y A 0.3011
172 P A 0.0000
173 N A 0.0000
174 W A 0.0000
175 V A 0.0000
176 Q A 0.0000
177 Q A -1.4206
178 K A -2.0341
179 P A -1.3242
180 G A -1.3337
181 Q A -2.0499
182 A A -1.4364
183 P A 0.0000
184 R A -1.1794
185 G A 0.0000
186 L A 0.0000
187 I A 0.0000
188 G A 0.0000
189 G A 0.0000
190 T A 0.0000
191 K A -1.2321
192 F A 0.0850
193 L A 0.2961
194 A A 0.0000
195 P A -0.2487
196 G A -0.6119
197 T A -0.3085
198 P A -0.2864
199 A A -0.1924
200 R A -0.5198
201 F A 0.0000
202 S A -0.5484
203 G A -0.4410
204 S A -0.1652
205 L A 0.5706
206 L A 1.0641
207 G A 0.0030
208 G A -0.2807
209 K A -0.4899
210 A A 0.0000
211 A A 0.0000
212 L A 0.0000
213 T A -0.2561
214 L A 0.0000
215 S A -0.5521
216 G A -0.6946
217 V A 0.0000
218 Q A -1.7962
219 P A -2.0317
220 E A -2.4878
221 D A 0.0000
222 E A -2.2807
223 A A 0.0000
224 E A -1.3892
225 Y A 0.0000
226 Y A 0.0000
227 C A 0.0000
228 A A 0.0000
229 L A 0.0000
230 W A -0.1558
231 Y A 0.0000
232 S A -0.9190
233 N A -1.4476
234 R A -1.2748
235 W A 0.0000
236 V A -0.0070
237 F A 0.0000
238 G A 0.0000
239 G A -1.0893
240 G A 0.0000
241 T A 0.0000
242 K A -1.9299
243 L A 0.0000
244 T A -1.2932
245 V A 0.0000
246 K A -1.9846
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018