Project name: 3d5e90777bad9

Status: done

Started: 2026-05-12 12:23:01
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Chain sequence(s) A: EVQLVQSGAEVKKPGQSLKISCKASGYSLTDNWIGWVRQKPGKGLEWMGIIYPGDSDTRYSPSFQGQVTISADKSINTAYLQWSSLKASDTAIYYCVGLDWNYNPLRYWGPGTLVTVSSGGGGSGGGGSGGGGSGGGGSQSVLTQPPSVSAAPGQKVTISCSGSSSDIGSNYVSWYQQFPGTAPKLLIYDNNKRPSAIPDRFSGSKSGTSATLGITGLQTGDEADYYCGTWDSRLGIAVFGGGTQLTVL
input PDB
Selected Chain(s) A
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]                                                (00:00:04)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:04)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:04)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:04)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)
Show buried residues

Minimal score value
-2.7231
Maximal score value
1.4314
Average score
-0.6164
Total score value
-153.4768

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
36 E A -2.1200
37 V A -1.1408
38 Q A -1.2054
39 L A 0.0000
40 V A 0.8135
41 Q A 0.0868
42 S A -0.4164
43 G A -0.1381
44 A A 0.2097
45 E A 0.0986
46 V A 0.9520
47 K A -1.2093
48 K A -2.4577
49 P A -2.3742
50 G A -2.0531
51 Q A -2.2399
52 S A -1.8412
53 L A 0.0000
54 K A -2.0333
55 I A 0.0000
56 S A -0.6663
57 C A 0.0000
58 K A -1.1361
59 A A -0.6617
60 S A -1.1621
61 G A -1.2563
62 Y A -1.0766
63 S A -0.7766
64 L A 0.0000
65 T A -1.7959
66 D A -1.9505
67 N A 0.0000
68 W A 0.0000
69 I A 0.0000
70 G A 0.0000
71 W A 0.0000
72 V A 0.0000
73 R A -0.1342
74 Q A 0.0000
75 K A -0.6981
76 P A -0.7288
77 G A -0.9358
78 K A -0.9504
79 G A 0.0000
80 L A -0.1026
81 E A 0.0000
82 W A 0.3704
83 M A 0.0000
84 G A -0.2162
85 I A 0.0914
86 I A 0.0000
87 Y A -1.2869
88 P A 0.0000
89 G A -2.0557
90 D A -2.3737
91 S A -1.9199
92 D A -1.7382
93 T A -0.9940
94 R A -1.0628
95 Y A -0.5990
96 S A 0.0000
97 P A -0.5623
98 S A -0.5564
99 F A 0.0000
100 Q A -1.8819
101 G A -1.5941
102 Q A -1.8634
103 V A 0.0000
104 T A -0.9595
105 I A 0.0000
106 S A -0.4215
107 A A -0.8123
108 D A -1.1602
109 K A -1.7636
110 S A -0.2325
111 I A 0.8427
112 N A -0.7067
113 T A 0.0000
114 A A 0.0000
115 Y A -0.7352
116 L A 0.0000
117 Q A -1.5841
118 W A 0.0000
119 S A -1.3899
120 S A -1.6960
121 L A 0.0000
122 K A -2.4860
123 A A -1.5613
124 S A -0.9957
125 D A 0.0000
126 T A 0.0000
127 A A 0.0000
128 I A 0.3460
129 Y A 0.0000
130 Y A 0.6082
131 C A 0.0000
132 V A 0.0000
133 G A 0.0000
134 L A 0.0000
135 D A -0.9103
136 W A 0.1759
137 N A 0.2671
138 Y A 1.0032
139 N A -0.2078
140 P A -0.6180
141 L A -0.2945
142 R A -1.4909
143 Y A -0.0632
144 W A 1.0425
145 G A 0.0000
146 P A 0.3193
147 G A 0.4200
148 T A 0.0000
149 L A 0.7028
150 V A 0.0000
151 T A 0.0099
152 V A 0.0000
153 S A -0.8637
154 S A -0.6307
155 G A 0.0000
156 G A -1.0813
157 G A -0.9814
158 G A -1.1214
159 S A -1.0369
160 G A -1.3310
161 G A -1.3036
162 G A -1.6567
163 G A -1.5176
164 S A -1.3646
165 G A -1.1395
166 G A -1.4320
167 G A -1.4895
168 G A -1.2866
169 S A -1.3037
170 G A -1.3655
171 G A -1.3588
172 G A -1.4740
173 G A -1.5352
174 S A -1.1130
175 Q A -1.1981
176 S A -0.1212
177 V A 1.0666
178 L A 0.0000
179 T A -0.0303
180 Q A -0.3115
181 P A -0.5752
182 P A -0.7725
183 S A -0.8354
184 V A -0.3569
185 S A -0.2184
186 A A -0.4035
187 A A -0.4002
188 P A -1.1610
189 G A -1.8573
190 Q A -2.5110
191 K A -2.7231
192 V A 0.0000
193 T A -0.5124
194 I A 0.0000
195 S A -0.4150
196 C A 0.0000
197 S A -0.3937
198 G A -0.1442
199 S A -0.4077
200 S A -0.7866
201 S A -0.8541
202 D A 0.0000
203 I A 0.0000
204 G A -0.8958
205 S A -0.6972
206 N A 0.0064
207 Y A 0.7354
208 V A 0.0000
209 S A 0.0000
210 W A 0.0000
211 Y A 0.0000
212 Q A 0.0000
213 Q A 0.0000
214 F A -0.3775
215 P A -0.4530
216 G A -0.4943
217 T A -0.4198
218 A A -0.5430
219 P A 0.0000
220 K A -1.2725
221 L A -0.2273
222 L A 0.0000
223 I A 0.0000
224 Y A -0.4600
225 D A -0.8825
226 N A 0.0000
227 N A -2.1545
228 K A -2.4939
229 R A -2.4304
230 P A -0.9349
231 S A -0.7772
232 A A -0.3656
233 I A -0.7771
234 P A -1.4693
235 D A -2.6588
236 R A -2.2436
237 F A 0.0000
238 S A -1.5912
239 G A -1.2594
240 S A -1.2254
241 K A -1.2157
242 S A -0.9296
243 G A -1.0375
244 T A -0.9311
245 S A -0.8438
246 A A 0.0000
247 T A -0.5058
248 L A 0.0000
249 G A 0.0000
250 I A 0.0000
251 T A -2.0389
252 G A -1.8048
253 L A 0.0000
254 Q A -1.8996
255 T A -0.9467
256 G A -1.1653
257 D A -1.1975
258 E A -1.5136
259 A A 0.0000
260 D A -1.1662
261 Y A 0.0000
262 Y A 0.0000
263 C A 0.0000
264 G A 0.0000
265 T A 0.0000
266 W A 0.2089
267 D A -0.2806
268 S A -1.0151
269 R A -1.3596
270 L A 0.3442
271 G A -0.3249
272 I A 0.1769
273 A A 0.0000
274 V A 0.0000
275 F A 0.3991
276 G A 0.0000
277 G A -0.6924
278 G A -0.8822
279 T A 0.0000
280 Q A -1.6283
281 L A 0.0000
282 T A -0.4306
283 V A 0.1394
284 L A 1.4314
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Laboratory of Theory of Biopolymers 2018