Project name: 18b5d01b4bafec9

Status: done

Started: 2026-03-21 09:11:56
Settings
Chain sequence(s) A: QVQLVESGGGLVQAGGSLRLSCAASGSTFSRYALAWYRQTPGKQREWVATITSGGVTSYVDSVKGRFTVSRDNAANTVYLQMISLKPEDTAVYYCKAPEILSPWGQGTQVTVSSGGGGSGGGGSGGGGSQVQLVESGGGLVQPGGSLRLSCAASGFTRDAYAIGWFRQAPGKEREGVSCISASGSRTNYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAIYYCAATEFGTGYVCYGGLEGNEFSFWGQGTQVTVSS
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                                          (00:03:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:54)
Show buried residues

Minimal score value
-3.7692
Maximal score value
1.6083
Average score
-0.7875
Total score value
-203.1771

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 Q A -1.2274
2 V A -0.3439
3 Q A -0.6037
4 L A 0.0000
5 V A 0.0000
6 E A 0.0000
7 S A -0.6475
8 G A -0.9749
9 G A -0.7152
10 G A -0.4282
11 L A -0.0748
12 V A -0.5492
13 Q A -1.6335
14 A A -1.5385
15 G A -1.0123
16 G A -0.5886
17 S A -0.5597
18 L A -0.7561
19 R A -1.9282
20 L A 0.0000
21 S A -0.5711
22 C A 0.0000
23 A A -0.2161
24 A A -0.3516
25 S A -0.6484
26 G A -0.8589
27 S A -0.9320
28 T A -0.8420
29 F A 0.0000
30 S A -1.7586
31 R A -2.3104
32 Y A -1.1829
33 A A -0.6633
34 L A 0.0000
35 A A 0.0000
36 W A 0.0000
37 Y A -0.3855
38 R A -1.0676
39 Q A -1.6896
40 T A -1.8043
41 P A -1.2997
42 G A -1.7914
43 K A -3.0054
44 Q A -2.8034
45 R A -2.1932
46 E A -1.8807
47 W A -0.4583
48 V A 0.0000
49 A A 0.0000
50 T A 0.2323
51 I A 0.0000
52 T A -0.0866
53 S A -1.0509
54 G A -0.6027
55 G A 0.0461
56 V A 1.3507
57 T A 0.5471
58 S A -0.1365
59 Y A -0.8161
60 V A -1.1459
61 D A -2.3417
62 S A -1.6866
63 V A 0.0000
64 K A -2.5666
65 G A -1.5396
66 R A -0.9217
67 F A 0.0000
68 T A -0.7216
69 V A 0.0000
70 S A -0.4679
71 R A -1.2386
72 D A -1.7193
73 N A -2.2486
74 A A -0.9907
75 A A -0.8497
76 N A -1.4555
77 T A -0.8325
78 V A 0.0000
79 Y A -0.6371
80 L A 0.0000
81 Q A -1.0509
82 M A 0.0000
83 I A 0.0870
84 S A -0.3582
85 L A 0.0000
86 K A -1.8252
87 P A -1.7655
88 E A -2.2189
89 D A 0.0000
90 T A -0.8891
91 A A 0.0000
92 V A -0.1747
93 Y A 0.0000
94 Y A -0.1438
95 C A 0.0000
96 K A -0.0670
97 A A 0.0000
98 P A -0.6540
99 E A -1.5560
100 I A 0.1751
101 L A 1.2888
102 S A 0.0000
103 P A 0.1821
104 W A 0.3677
105 G A 0.0000
106 Q A -0.5988
107 G A 0.0000
108 T A 0.0000
109 Q A -0.6555
110 V A 0.0000
111 T A -0.6089
112 V A 0.0000
113 S A -1.1196
114 S A -1.3789
115 G A -1.3687
116 G A -1.2586
117 G A -1.1861
118 G A -1.1873
119 S A -1.0538
120 G A -1.1369
121 G A -1.1827
122 G A -1.1571
123 G A -1.1488
124 S A -0.9819
125 G A -1.1331
126 G A -1.1546
127 G A -1.2621
128 G A -1.2339
129 S A -1.2036
130 Q A -1.4734
131 V A -0.4507
132 Q A -0.5383
133 L A 0.0000
134 V A -0.0117
135 E A 0.0000
136 S A -0.5663
137 G A -1.0270
138 G A -0.5866
139 G A -0.3127
140 L A 0.0644
141 V A -0.4617
142 Q A -1.4928
143 P A -1.6657
144 G A -1.3985
145 G A -1.0094
146 S A -1.1589
147 L A -0.9964
148 R A -2.0803
149 L A 0.0000
150 S A -0.5620
151 C A 0.0000
152 A A -0.4325
153 A A 0.0000
154 S A -0.9155
155 G A -0.9065
156 F A -1.1380
157 T A -1.3958
158 R A -2.9758
159 D A -2.6872
160 A A -1.2629
161 Y A -0.8010
162 A A 0.0000
163 I A 0.0000
164 G A 0.0000
165 W A 0.0000
166 F A 0.0000
167 R A 0.0000
168 Q A -2.0161
169 A A -1.9276
170 P A -1.3907
171 G A -1.9784
172 K A -3.4246
173 E A -3.7692
174 R A -3.4239
175 E A -2.8804
176 G A -1.7528
177 V A 0.0000
178 S A 0.0000
179 C A 0.0000
180 I A 0.0000
181 S A -0.6812
182 A A -1.1932
183 S A -1.0015
184 G A -1.4268
185 S A -1.3368
186 R A -1.9206
187 T A -0.9169
188 N A -0.8102
189 Y A -1.0385
190 A A -1.5847
191 D A -2.5169
192 S A -1.8409
193 V A 0.0000
194 K A -2.6743
195 G A -1.7753
196 R A -1.4893
197 F A 0.0000
198 T A -0.8974
199 I A 0.0000
200 S A -0.7096
201 R A -1.0282
202 D A -1.4865
203 N A -2.1754
204 A A -1.7055
205 K A -2.3472
206 N A -2.0529
207 T A 0.0000
208 V A 0.0000
209 Y A -0.6495
210 L A 0.0000
211 Q A -1.2847
212 M A 0.0000
213 N A -1.4069
214 S A -1.2442
215 L A 0.0000
216 K A -2.4092
217 P A -1.9477
218 E A -2.3700
219 D A 0.0000
220 T A -0.8616
221 A A 0.0000
222 I A -0.0851
223 Y A 0.0000
224 Y A -0.3089
225 C A 0.0000
226 A A 0.0000
227 A A 0.0000
228 T A 0.0000
229 E A -1.1838
230 F A 0.7448
231 G A -0.0492
232 T A -0.0209
233 G A 0.4999
234 Y A 1.6083
235 V A 0.0000
236 C A 0.1379
237 Y A 1.1464
238 G A 0.1278
239 G A -0.5533
240 L A -1.2690
241 E A -2.8083
242 G A -2.1769
243 N A -2.1775
244 E A -1.7287
245 F A 0.0000
246 S A -0.4170
247 F A 0.4850
248 W A 0.4139
249 G A -0.1969
250 Q A -0.9957
251 G A 0.0000
252 T A 0.0000
253 Q A -0.3680
254 V A 0.0000
255 T A 0.0000
256 V A 0.0000
257 S A -0.9576
258 S A -0.6640
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Laboratory of Theory of Biopolymers 2018