Project name: query_structure

Status: done

Started: 2026-03-17 00:58:49
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Chain sequence(s) I: RICPRIWMECKRDSDCMAECICVMGHCG
E: IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
input PDB
Selected Chain(s) I,E
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 all 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                                          (00:01:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:45)
Show buried residues
Minimal score value
-3.6761
Maximal score value
1.2666
Average score
-0.5425
Total score value
-136.1582
Download the table (csv)

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
16 I E 0.0000
17 V E 0.0000
18 G E -1.0135
19 G E -0.6960
20 Y E 0.2436
21 T E 0.2086
22 C E 0.0470
23 G E -0.1039
24 A E -0.5925
25 N E -0.8523
26 T E -0.4796
27 V E 0.0000
28 P E -0.6797
29 Y E 0.0000
30 Q E 0.0000
31 V E 0.0000
32 S E 0.0000
33 L E 0.0000
34 N E 0.0000
37 S E -0.3541
38 G E -0.1489
39 Y E 0.6100
40 H E 0.0000
41 F E 0.0000
42 C E 0.0000
43 G E 0.0000
44 G E 0.0000
45 S E 0.0000
46 L E 0.0000
47 I E -0.1360
48 N E -0.4529
49 S E -0.4014
50 Q E -1.2439
51 W E 0.0000
52 V E 0.0000
53 V E 0.0000
54 S E 0.0000
55 A E 0.0000
56 A E 0.0000
57 H E 0.0000
58 C E 0.0000
59 Y E 0.7902
60 K E -0.5043
61 S E -0.7812
62 G E -0.9676
63 I E 0.0000
64 Q E -0.5669
65 V E 0.0000
66 R E 0.0056
67 L E 0.0000
69 G E 0.0000
70 E E 0.0000
71 D E -0.4714
72 N E -0.2244
73 I E 0.0085
74 N E -0.3063
75 V E 1.2666
76 V E 1.1293
77 E E -1.1265
78 G E -1.0776
79 N E -1.7732
80 E E -0.8255
81 Q E -0.0418
82 F E 0.8914
83 I E -0.0942
84 S E -0.7902
85 A E -1.2160
86 S E -1.6693
87 K E -1.4907
88 S E -0.2765
89 I E 0.3445
90 V E 0.7675
91 H E 0.0779
92 P E -0.2114
93 S E -0.3826
94 Y E -0.4232
95 N E -1.1262
96 S E -1.0755
97 N E -1.7432
98 T E -1.1809
99 L E 0.0000
100 N E -0.8130
101 N E 0.0000
102 D E 0.0000
103 I E 0.0000
104 M E 0.0000
105 L E 0.0000
106 I E 0.0000
107 K E -1.4398
108 L E 0.0000
109 K E -2.2098
110 S E -1.0458
111 A E -0.6441
112 A E 0.0000
113 S E -0.2172
114 L E 0.0830
115 N E -1.3578
116 S E -1.3556
117 R E -1.9105
118 V E 0.0000
119 A E -0.4839
120 S E -0.1857
121 I E 0.0000
122 S E -0.3823
123 L E -0.2640
124 P E 0.0000
125 T E -0.1054
127 S E -0.0268
128 C E 0.3161
129 A E -0.1069
130 S E -0.4616
132 A E -0.6230
133 G E -0.7591
134 T E -0.8724
135 Q E -1.6895
136 C E 0.0000
137 L E -0.6526
138 I E 0.0000
139 S E 0.0000
140 G E 0.0000
141 W E 0.0000
142 G E 0.0000
143 N E 0.0000
144 T E -0.7534
145 K E -1.4932
146 S E -1.3439
147 S E -0.8433
148 G E -0.5697
149 T E -0.3820
150 S E -0.4598
151 Y E -0.0406
152 P E -0.4602
153 D E -0.9701
154 V E -0.2323
155 L E 0.0000
156 K E -0.2510
157 C E 0.0000
158 L E 0.0000
159 K E -1.9330
160 A E 0.0000
161 P E -0.9406
162 I E 0.0000
163 L E -0.4366
164 S E -1.2328
165 D E -2.3222
166 S E -1.6609
167 S E -1.3590
168 C E 0.0000
169 K E -2.4528
170 S E -1.6880
171 A E 0.0000
172 Y E 0.0000
173 P E -1.2123
174 G E -1.2213
175 Q E -1.3649
176 I E -1.1044
177 T E -0.6287
178 S E -0.7095
179 N E -0.6689
180 M E 0.0000
181 F E 0.0000
182 C E 0.0000
183 A E 0.0000
184A G E 0.0000
184 Y E -1.0056
185 L E -1.6948
186 E E -2.8460
187 G E -2.6307
188A G E -1.9890
188 K E -2.0931
189 D E 0.0000
190 S E 0.0000
191 C E 0.0000
192 Q E 0.0000
193 G E 0.0000
194 D E 0.0000
195 S E 0.0000
196 G E 0.0000
197 G E 0.0000
198 P E 0.0000
199 V E 0.0000
200 V E -0.4669
201 C E 0.0000
202 S E -0.7674
203 G E -0.7989
204 K E -0.8046
209 L E 0.0000
210 Q E 0.0000
211 G E 0.0000
212 I E 0.0000
213 V E 0.0000
214 S E 0.0000
215 W E 0.0000
216 G E 0.0000
217 S E 0.0000
219 G E -0.6742
220 C E 0.0000
221A A E 0.0000
221 Q E -2.6495
222 K E -3.4804
223 N E -2.7414
224 K E -2.0877
225 P E 0.0000
226 G E 0.0000
227 V E 0.0000
228 Y E 0.0000
229 T E 0.0000
230 K E -0.5223
231 V E 0.0000
232 C E -0.2905
233 N E -0.9104
234 Y E 0.0000
235 V E -0.6025
236 S E -1.0100
237 W E -0.8582
238 I E 0.0000
239 K E -2.1124
240 Q E -2.0602
241 T E 0.0000
242 I E -1.0843
243 A E -1.0301
244 S E -1.1544
245 N E -1.3368
301 R I -1.5688
302 I I 0.0000
303 C I 0.0000
304 P I 0.0000
305 R I 0.0000
306 I I 0.0000
307 W I -0.0753
308 M I -0.7155
309 E I -2.2893
310 C I -2.5090
311 K I -3.3307
312 R I -3.6761
313 D I -2.9230
314 S I -2.2707
315 D I -2.5766
316 C I -1.5242
317 M I -0.5760
318 A I -1.0920
319 E I -1.9274
320 C I 0.0000
321 I I -0.1734
322 C I -1.0855
323 V I 0.4865
324 M I 0.4801
325 G I -1.0338
326 H I -0.9907
327 C I 0.0000
328 G I -0.0308
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Laboratory of Theory of Biopolymers 2018