Project name: 7626653bd0ce4ca

Status: done

Started: 2026-05-12 12:25:07
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Chain sequence(s) C: DIQMTQSPSSLSASVGDRVTITCRASQGIRNYLAWYQQKPGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQRYNRAPYTFGQGTKVEIKGGGSGGGSGGGSGGGSEVQLVESGGGLVQPGRSLRLSCAASGFTFDDYAMHWVRQAPGKGLEWVSAITWNSGHIDYADSVEGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAKVSYLSTASSLDYWGQGTLVTVS
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.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues

Minimal score value
-2.9702
Maximal score value
1.8943
Average score
-0.7506
Total score value
-182.398

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 -2.4894
3 I C 0.0000
4 Q C -2.1905
5 M C 0.0000
6 T C -1.0907
7 Q C 0.0000
8 S C -0.7989
9 P C -0.5952
10 S C -1.0355
11 S C -1.2803
12 L C -1.0007
13 S C -1.2450
14 A C -0.9876
15 S C -0.7790
16 V C 0.0189
17 G C -0.9490
18 D C -1.8378
19 R C -2.3879
20 V C 0.0000
21 T C -0.6396
22 I C 0.0000
23 T C -0.6973
24 C C 0.0000
25 R C -2.0389
26 A C -1.7386
27 S C -1.8409
28 Q C -2.2063
29 G C -2.0959
30 I C 0.0000
31 R C -2.8917
32 N C -2.1975
33 Y C -1.0303
34 L C 0.0000
35 A C 0.0000
36 W C 0.0000
37 Y C 0.0000
38 Q C 0.0000
39 Q C -0.8160
40 K C 0.0000
41 P C -0.7496
42 G C -1.0689
43 K C -1.4243
44 A C 0.0000
45 P C 0.0000
46 K C -0.8616
47 L C 0.0000
48 L C 0.0000
49 I C 0.0000
50 Y C 0.3067
51 A C -0.2402
52 A C 0.0000
53 S C -0.4473
54 T C 0.0644
55 L C 0.2588
56 Q C -0.1927
57 S C -0.3376
58 G C -0.4951
59 V C -0.2430
60 P C -0.3303
61 S C -0.4081
62 R C -0.8025
63 F C 0.0000
64 S C -0.3277
65 G C -0.3012
66 S C -0.8502
67 G C -1.5718
68 S C -1.9848
69 G C -2.1750
70 T C -2.1301
71 D C -2.3123
72 F C 0.0000
73 T C -0.7204
74 L C 0.0000
75 T C -0.6188
76 I C 0.0000
77 S C -1.3275
78 S C -1.1815
79 L C 0.0000
80 Q C -0.5890
81 P C -1.1472
82 E C -1.1498
83 D C 0.0000
84 V C -1.4042
85 A C 0.0000
86 T C -1.2152
87 Y C 0.0000
88 Y C 0.0000
89 C C 0.0000
90 Q C 0.0000
91 R C 0.0000
92 Y C 0.0000
93 N C -1.8678
94 R C -2.2337
95 A C -1.3945
96 P C -1.4455
97 Y C -0.9095
98 T C -1.1450
99 F C 0.0000
100 G C 0.0000
101 Q C -1.9820
102 G C 0.0000
103 T C 0.0000
104 K C -2.4151
105 V C 0.0000
106 E C -2.6129
107 I C -1.5549
108 K C -2.2177
109 G C -1.9104
110 G C -1.4783
111 G C -1.5595
112 S C -1.0964
113 G C -1.1350
114 G C -1.2288
115 G C -1.4212
116 S C -1.5309
117 G C -1.6091
118 G C -1.1743
119 G C -1.2117
120 S C -1.3306
121 G C -1.2492
122 G C -1.6351
123 G C -1.9381
124 S C -1.8213
125 E C -2.3894
126 V C -1.4654
127 Q C -1.5133
128 L C 0.0000
129 V C 0.4829
130 E C 0.1007
131 S C -0.4406
132 G C -0.8653
133 G C -0.0164
134 G C 0.7422
135 L C 1.3132
136 V C 0.0000
137 Q C -1.9460
138 P C -2.0069
139 G C -2.3231
140 R C -2.9702
141 S C -2.0779
142 L C -1.3388
143 R C -2.1457
144 L C 0.0000
145 S C -0.5346
146 C C 0.0000
147 A C -0.2971
148 A C 0.0000
149 S C -0.7850
150 G C -1.2019
151 F C -0.8134
152 T C -0.8423
153 F C 0.0000
154 D C -2.1631
155 D C -1.5897
156 Y C -0.3736
157 A C 0.0000
158 M C 0.0000
159 H C 0.0000
160 W C 0.0000
161 V C 0.0000
162 R C 0.0000
163 Q C -0.6905
164 A C -1.0691
165 P C -0.7798
166 G C -1.4596
167 K C -2.3997
168 G C -1.6857
169 L C 0.0000
170 E C -1.2449
171 W C 0.0000
172 V C 0.0000
173 S C 0.0000
174 A C 0.0000
175 I C 0.0000
176 T C -0.4902
177 W C -0.8115
178 N C -1.7637
179 S C -1.0610
180 G C -0.9922
181 H C -0.9704
182 I C 0.2252
183 D C -0.8943
184 Y C -1.0287
185 A C 0.0000
186 D C -2.5989
187 S C -1.7222
188 V C 0.0000
189 E C -2.8133
190 G C -1.7797
191 R C -1.5231
192 F C 0.0000
193 T C -0.8198
194 I C 0.0000
195 S C -0.3570
196 R C -1.1563
197 D C -1.6884
198 N C -2.1797
199 A C -1.5446
200 K C -2.2484
201 N C -1.8407
202 S C 0.0000
203 L C 0.0000
204 Y C -0.6110
205 L C 0.0000
206 Q C -1.3177
207 M C 0.0000
208 N C -1.9741
209 S C -1.8846
210 L C 0.0000
211 R C -2.4617
212 A C -1.6799
213 E C -2.1803
214 D C 0.0000
215 T C -0.4132
216 A C 0.0000
217 V C 0.6680
218 Y C 0.0000
219 Y C 0.0000
220 C C 0.0000
221 A C 0.0000
222 K C 0.0000
223 V C 0.0000
224 S C 0.0000
225 Y C 1.7683
226 L C 1.8943
227 S C 0.9012
228 T C 0.5346
229 A C 0.0515
230 S C 0.0000
231 S C 0.0000
232 L C 0.0000
233 D C 0.0000
234 Y C -0.0873
235 W C -0.2121
236 G C 0.0000
237 Q C -1.3195
238 G C -0.2558
239 T C 0.3514
240 L C 1.4575
241 V C 0.0000
242 T C 0.2090
243 V C 0.0000
244 S C -1.0596
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Laboratory of Theory of Biopolymers 2018