Project name: afffa5d7eec5392

Status: done

Started: 2026-04-06 14:39:53
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Chain sequence(s) C: DIQLTQSPASLAVSLGQRATISCKASQSVDYDGDSYLNWYQQIPGQPPKLLIYDASNLVSGIPPRFSGSGSGTDFTLNIHPVEKVDAATYHCQQSTEDPWTFGGGTKLEIKGGGGSGGGGSGGGGSQVQLQQSGAELVRPGSSVKISCKASGYAFSSYWMNWVKQRPGQGLEWIGQIWPGDGDTNYNGKFKGKATLTADESSSTAYMQLSSLASEDSAVYFCARRETTTVGRYYYAMDYWGQGTTVTVSS
input PDB
Selected Chain(s) C
Distance of aggregation 10 Å
FoldX usage No
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 C chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues

Minimal score value
-2.9252
Maximal score value
1.8264
Average score
-0.762
Total score value
-190.5008

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
2 D C -2.6974
3 I C 0.0000
4 Q C -2.2472
5 L C 0.0000
6 T C -1.4008
7 Q C -1.1516
8 S C -0.7401
9 P C -0.4635
10 A C -0.5281
11 S C -0.9170
12 L C -0.5405
13 A C -1.0410
14 V C -1.1297
15 S C -1.4380
16 L C -0.7945
17 G C -1.0588
18 Q C -1.9633
19 R C -2.4820
20 A C 0.0000
21 T C -0.7784
22 I C 0.0000
23 S C -0.9976
24 C C 0.0000
25 K C -2.9252
26 A C -2.1341
27 S C -2.0114
28 Q C -2.2672
29 S C -1.2948
30 V C 0.0000
31 D C -0.8727
32 Y C -0.2015
33 D C -1.6687
34 G C -1.2965
35 D C -0.9336
36 S C 0.0000
37 Y C 0.0792
38 L C 0.0000
39 N C 0.0000
40 W C 0.0000
41 Y C 0.0000
42 Q C 0.0000
43 Q C -0.5762
44 I C -0.3932
45 P C -0.6389
46 G C -1.1505
47 Q C -1.6072
48 P C -0.9308
49 P C 0.0000
50 K C -0.5666
51 L C 0.0000
52 L C 0.0000
53 I C 0.0000
54 Y C 0.4400
55 D C 0.0000
56 A C 0.0000
57 S C -0.5773
58 N C -0.5769
59 L C 0.1713
60 V C 0.1779
61 S C -0.3365
62 G C -0.7168
63 I C -0.1641
64 P C -0.2958
65 P C -0.4034
66 R C -0.9384
67 F C 0.0000
68 S C -0.5287
69 G C -0.4776
70 S C -0.8939
71 G C -1.3715
72 S C -1.0472
73 G C -1.4730
74 T C -2.1004
75 D C -2.8398
76 F C 0.0000
77 T C -0.9646
78 L C 0.0000
79 N C -0.9113
80 I C 0.0000
81 H C -1.8343
82 P C -1.4809
83 V C 0.0000
84 E C -1.6657
85 K C -2.5538
86 V C -1.3052
87 D C 0.0000
88 A C -1.3704
89 A C 0.0000
90 T C -0.8235
91 Y C 0.0000
92 H C 0.0000
93 C C 0.0000
94 Q C 0.0000
95 Q C 0.0000
96 S C 0.0000
97 T C -0.7697
98 E C -2.0066
99 D C -2.1091
100 P C -1.8301
101 W C 0.0000
102 T C -1.1033
103 F C 0.0000
104 G C 0.0000
105 G C -1.1523
106 G C -0.9325
107 T C 0.0000
108 K C -1.7178
109 L C 0.0000
110 E C -2.3504
111 I C 0.0000
112 K C -2.4565
113 G C -1.8100
114 G C -1.5770
115 G C -2.0283
116 G C -1.9567
117 S C -1.2266
118 G C -1.2496
119 G C -1.4383
120 G C -1.3085
121 G C -1.3266
122 S C -0.8233
123 G C -1.1315
124 G C -1.1180
125 G C -1.2480
126 G C -1.4002
127 S C -1.3106
128 Q C -1.8144
129 V C -1.2952
130 Q C -2.1672
131 L C 0.0000
132 Q C -2.3248
133 Q C 0.0000
134 S C -1.2152
135 G C -0.9259
136 A C -0.2305
137 E C -0.3447
138 L C 0.8092
139 V C -0.3240
140 R C -1.8332
141 P C -1.5163
142 G C -1.1858
143 S C -0.9991
144 S C -1.1825
145 V C 0.0000
146 K C -1.9796
147 I C 0.0000
148 S C -1.0933
149 C C 0.0000
150 K C -2.3929
151 A C 0.0000
152 S C -1.3598
153 G C -1.0788
154 Y C -0.5159
155 A C -0.2147
156 F C 0.0000
157 S C -1.0466
158 S C -0.6300
159 Y C 0.0000
160 W C -0.0471
161 M C 0.0000
162 N C 0.0000
163 W C 0.0000
164 V C 0.0000
165 K C 0.0000
166 Q C -0.9997
167 R C -1.6711
168 P C -1.1606
169 G C -1.3972
170 Q C -1.9990
171 G C -1.3412
172 L C 0.0000
173 E C -1.0024
174 W C 0.0000
175 I C 0.0000
176 G C 0.0000
177 Q C 0.0000
178 I C 0.0000
179 W C -0.7464
180 P C 0.0000
181 G C -1.9121
182 D C -2.7973
183 G C -2.1469
184 D C -2.4249
185 T C -1.2305
186 N C -1.2037
187 Y C -1.2143
188 N C 0.0000
189 G C -2.3529
190 K C -2.5374
191 F C 0.0000
192 K C -2.7506
193 G C -1.8376
194 K C -1.7160
195 A C 0.0000
196 T C -0.9088
197 L C 0.0000
198 T C -0.7988
199 A C -1.4388
200 D C -2.0413
201 E C -2.6215
202 S C -1.3450
203 S C -1.2893
204 S C -1.4810
205 T C 0.0000
206 A C 0.0000
207 Y C -0.6007
208 M C 0.0000
209 Q C -1.3282
210 L C 0.0000
211 S C -0.9618
212 S C -0.8486
213 L C 0.0000
214 A C -1.2912
215 S C -1.4796
216 E C -2.0491
217 D C 0.0000
218 S C -0.7262
219 A C 0.0000
220 V C -0.0413
221 Y C 0.0000
222 F C 0.0000
223 C C 0.0000
224 A C 0.0000
225 R C 0.0000
226 R C 0.0000
227 E C -0.7284
228 T C -0.2555
229 T C 0.2944
230 T C 0.8342
231 V C 1.8264
232 G C 0.9688
233 R C 0.2968
234 Y C 1.0318
235 Y C 0.7603
236 Y C 0.5826
237 A C 0.0000
238 M C 0.0000
239 D C -0.4453
240 Y C -0.4040
241 W C -0.5962
242 G C 0.0000
243 Q C -1.5487
244 G C -0.8490
245 T C 0.0000
246 T C -0.1714
247 V C 0.0000
248 T C -0.1583
249 V C 0.0000
250 S C -0.6199
251 S C -0.7154
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Laboratory of Theory of Biopolymers 2018