Project name: 6a_02

Status: done

Started: 2026-05-12 06:22:38
Settings
Chain sequence(s) A: MIKSCATIALAPEIETGPWIYWERPDISIPKAAKLGFDAVELFTGSADAVAPEQLEQLCAANKIDIAAVGTGAGKVLKGWTLTSPDKHVRQKAVAFISEMIAFGARFGAPAIIGSMQGNVEPGTERPQAVAWLTEGLNELGARAQEQGVNLIYEPLNRYETNMFNQLSAGAEFLKTLDTQNVLLLADLFHMNIEEESLAGAIRANASQIGHLHFADSNRRPVGMGHTDMMDIARVLMEVGYAGYASAEVFPWPDPDAAAEQTMRAFKECFSVV
B: MIKSCATIALAPEIETGPWIYWERPDISIPKAAKLGFDAVELFTGSADAVAPEQLEQLCAANKIDIAAVGTGAGKVLKGWTLTSPDKHVRQKAVAFISEMIAFGARFGAPAIIGSMQGNVEPGTERPQAVAWLTEGLNELGARAQEQGVNLIYEPLNRYETNMFNQLSAGAEFLKTLDTQNVLLLADLFHMNIEEESLAGAIRANASQIGHLHFADSNRRPVGMGHTDMMDIARVLMEVGYAGYASAEVFPWPDPDAAAEQTMRAFKECFSVV
input PDB
Selected Chain(s) A,B
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]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:12:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:22)
Show buried residues

Minimal score value
-3.568
Maximal score value
2.2254
Average score
-0.7792
Total score value
-425.438

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 M A 1.6203
2 I A 0.0000
3 K A -0.1698
4 S A 0.0000
5 C A 0.0000
6 A A 0.0000
7 T A 0.0000
8 I A 0.0000
9 A A 0.0000
10 L A -0.8001
11 A A 0.0000
12 P A -1.5928
13 E A -2.0548
14 I A -1.3246
15 E A -2.2896
16 T A -1.1185
17 G A -0.6756
18 P A -0.0150
19 W A 0.0000
20 I A 0.0000
21 Y A 0.0000
22 W A -0.7702
23 E A -1.2262
24 R A -1.9595
25 P A 0.0000
26 D A -1.3530
27 I A -0.3056
28 S A 0.0000
29 I A 0.0000
30 P A -0.9551
31 K A -1.1483
32 A A 0.0000
33 A A -1.7550
34 K A -1.9526
35 L A -1.6351
36 G A -1.5004
37 F A 0.0000
38 D A -1.5750
39 A A 0.0000
40 V A 0.0000
41 E A 0.0000
42 L A 0.0000
43 F A 0.0000
44 T A 0.0000
45 G A -0.5653
46 S A -0.8999
47 A A -1.3339
48 D A -1.9699
49 A A -0.7287
50 V A -1.0285
51 A A -1.4689
52 P A -2.3897
53 E A -3.3599
54 Q A -2.8336
55 L A 0.0000
56 E A -3.5680
57 Q A -3.0509
58 L A -1.9315
59 C A -2.0076
60 A A -1.6058
61 A A -1.0608
62 N A -1.8484
63 K A -2.2382
64 I A 0.0000
65 D A -1.5943
66 I A 0.0000
67 A A 0.0000
68 A A 0.0000
69 V A 0.0000
70 G A 0.0000
71 T A 0.0000
72 G A -0.1626
73 A A 0.0000
74 G A 0.0000
75 K A -0.8360
76 V A 0.4269
77 L A -0.3218
78 K A -1.6099
79 G A -1.1131
80 W A -1.1588
81 T A -0.8531
82 L A 0.0000
83 T A 0.0000
84 S A -1.4033
85 P A -1.6651
86 D A -2.4539
87 K A -3.1869
88 H A -2.7095
89 V A -2.1403
90 R A -2.0917
91 Q A -2.4897
92 K A -2.0670
93 A A 0.0000
94 V A -1.1169
95 A A -0.9028
96 F A -0.7944
97 I A 0.0000
98 S A -1.1498
99 E A -2.0334
100 M A 0.0000
101 I A 0.0000
102 A A -1.5690
103 F A 0.0000
104 G A 0.0000
105 A A -1.8095
106 R A -2.4408
107 F A -1.3328
108 G A -1.1978
109 A A 0.0000
110 P A -0.5047
111 A A 0.0000
112 I A 0.0000
113 I A 0.0000
114 G A -0.2743
115 S A -0.3231
116 M A 0.0000
117 Q A 0.0000
118 G A 0.0000
119 N A -1.2154
120 V A -1.6702
121 E A -2.0208
122 P A -1.4532
123 G A -1.4228
124 T A -1.9895
125 E A -2.7654
126 R A -2.3794
127 P A -1.3315
128 Q A -1.3027
129 A A 0.0000
130 V A -0.6146
131 A A -0.6067
132 W A -0.9079
133 L A 0.0000
134 T A -1.2676
135 E A -2.2392
136 G A 0.0000
137 L A 0.0000
138 N A -2.0631
139 E A -1.9001
140 L A 0.0000
141 G A 0.0000
142 A A -2.1760
143 R A -2.3875
144 A A 0.0000
145 Q A -2.8904
146 E A -3.0877
147 Q A -2.6493
148 G A -2.1804
149 V A -1.5683
150 N A -1.3784
151 L A 0.0000
152 I A 0.0000
153 Y A 0.0000
154 E A 0.0000
155 P A 0.0000
156 L A 0.0000
157 N A 0.0000
158 R A -0.6026
159 Y A -0.2542
160 E A -0.7261
161 T A 0.0000
162 N A -1.3933
163 M A 0.0000
164 F A -0.5090
165 N A -0.6171
166 Q A -0.4387
167 L A 0.0000
168 S A -0.7799
169 A A -0.7788
170 G A 0.0000
171 A A 0.0000
172 E A -2.4367
173 F A 0.0000
174 L A 0.0000
175 K A -2.7994
176 T A -1.8560
177 L A 0.0000
178 D A -2.7805
179 T A -2.1939
180 Q A -2.1770
181 N A -1.6952
182 V A 0.0000
183 L A -0.3630
184 L A 0.0000
185 L A 0.0000
186 A A 0.0000
187 D A 0.0000
188 L A 0.0000
189 F A 0.0000
190 H A 0.0000
191 M A 0.0000
192 N A 0.0000
193 I A 0.0000
194 E A 0.0000
195 E A 0.0000
196 E A -1.0550
197 S A -0.8737
198 L A 0.0000
199 A A 0.0000
200 G A -1.1311
201 A A -0.9579
202 I A 0.0000
203 R A -2.1508
204 A A -1.0301
205 N A -1.0735
206 A A -1.0624
207 S A -0.6130
208 Q A -0.5443
209 I A 0.0000
210 G A -0.1830
211 H A 0.0000
212 L A 0.0000
213 H A 0.0000
214 F A 0.0000
215 A A 0.0000
216 D A 0.0000
217 S A 0.0000
218 N A 0.0000
219 R A 0.0000
220 R A -0.1540
221 P A 0.0000
222 V A 0.0000
223 G A -1.2115
224 M A -0.6919
225 G A -1.3734
226 H A -1.5976
227 T A -1.4718
228 D A -1.8065
229 M A 0.0000
230 M A -0.5301
231 D A -1.1440
232 I A 0.0000
233 A A 0.0000
234 R A -1.7314
235 V A 0.0000
236 L A 0.0000
237 M A -0.4634
238 E A -2.2177
239 V A -1.3241
240 G A -0.5624
241 Y A 0.0000
242 A A 0.5315
243 G A 0.0357
244 Y A -0.0367
245 A A 0.0000
246 S A 0.0000
247 A A 0.0000
248 E A 0.0000
249 V A 0.0000
250 F A 0.4415
251 P A -0.1369
252 W A 0.1218
253 P A -0.4437
254 D A -1.2207
255 P A -1.1146
256 D A -1.6697
257 A A -1.2563
258 A A 0.0000
259 A A 0.0000
260 E A -2.1787
261 Q A -1.5719
262 T A 0.0000
263 M A -2.0520
264 R A -3.2450
265 A A 0.0000
266 F A 0.0000
267 K A -2.7926
268 E A -2.7561
269 C A 0.0000
270 F A 0.0000
271 S A 0.2473
272 V A 1.9788
273 V A 2.2254
1 M B 0.8779
2 I B 0.0000
3 K B -0.6800
4 S B 0.0000
5 C B 0.0000
6 A B 0.0000
7 T B 0.0000
8 I B 0.0000
9 A B 0.0000
10 L B -0.8557
11 A B 0.0000
12 P B -1.6734
13 E B -2.1502
14 I B 0.0000
15 E B -2.3797
16 T B -1.1570
17 G B 0.0000
18 P B -0.1181
19 W B 0.0000
20 I B 0.0000
21 Y B 0.0000
22 W B -0.7811
23 E B -1.2388
24 R B -1.9999
25 P B 0.0000
26 D B -1.3851
27 I B -0.3598
28 S B 0.0000
29 I B 0.0000
30 P B -0.9332
31 K B -1.0673
32 A B 0.0000
33 A B -1.7043
34 K B -2.0739
35 L B -1.5715
36 G B -1.4321
37 F B 0.0000
38 D B -1.5845
39 A B 0.0000
40 V B 0.0000
41 E B 0.0000
42 L B 0.0000
43 F B 0.0000
44 T B 0.0000
45 G B -0.6103
46 S B -0.9320
47 A B -1.3831
48 D B -2.0363
49 A B -0.8186
50 V B 0.0000
51 A B -1.5522
52 P B -2.3729
53 E B -3.3356
54 Q B -2.8764
55 L B 0.0000
56 E B -3.3965
57 Q B -2.9961
58 L B -1.9056
59 C B -1.9685
60 A B -1.5691
61 A B -1.0351
62 N B -1.8290
63 K B -2.4013
64 I B 0.0000
65 D B -1.5935
66 I B 0.0000
67 A B 0.0000
68 A B 0.0000
69 V B 0.0000
70 G B -0.0991
71 T B 0.0000
72 G B -0.1602
73 A B 0.0000
74 G B 0.0000
75 K B -0.7210
76 V B 0.4470
77 L B -0.3128
78 K B -1.5666
79 G B -1.0473
80 W B -1.1102
81 T B -0.8192
82 L B 0.0000
83 T B 0.0000
84 S B -1.3735
85 P B -1.6531
86 D B -2.4497
87 K B -3.1744
88 H B -2.6839
89 V B -2.1331
90 R B -2.0900
91 Q B -2.4884
92 K B -2.0630
93 A B 0.0000
94 V B -1.1692
95 A B -0.9156
96 F B -0.8018
97 I B 0.0000
98 S B -1.2375
99 E B -2.0797
100 M B 0.0000
101 I B 0.0000
102 A B -1.5263
103 F B 0.0000
104 G B 0.0000
105 A B -1.6165
106 R B -2.0639
107 F B -1.1469
108 G B -1.0787
109 A B 0.0000
110 P B -0.4431
111 A B 0.0000
112 I B 0.0000
113 I B 0.0000
114 G B -0.2728
115 S B -0.2515
116 M B 0.0000
117 Q B 0.0000
118 G B 0.0000
119 N B -1.1366
120 V B -1.5936
121 E B -1.9075
122 P B -1.3964
123 G B -1.3984
124 T B -1.9620
125 E B -2.7623
126 R B -2.3723
127 P B -1.3565
128 Q B -1.3566
129 A B 0.0000
130 V B -0.6241
131 A B -0.6255
132 W B -0.9255
133 L B 0.0000
134 T B -1.2838
135 E B -2.2632
136 G B 0.0000
137 L B 0.0000
138 N B -2.1412
139 E B -2.0504
140 L B 0.0000
141 G B 0.0000
142 A B -2.3384
143 R B -2.7165
144 A B 0.0000
145 Q B -2.9863
146 E B -3.1763
147 Q B -2.6079
148 G B -2.1481
149 V B -1.5299
150 N B -1.3488
151 L B 0.0000
152 I B 0.0000
153 Y B 0.0000
154 E B 0.0000
155 P B 0.0000
156 L B 0.0000
157 N B 0.0000
158 R B -0.6665
159 Y B -0.2733
160 E B -0.7640
161 T B 0.0000
162 N B -1.3836
163 M B 0.0000
164 F B -0.5822
165 N B -0.7624
166 Q B -0.8125
167 L B 0.0000
168 S B -0.8521
169 A B -0.8623
170 G B 0.0000
171 A B 0.0000
172 E B -2.4328
173 F B 0.0000
174 L B 0.0000
175 K B -2.7908
176 T B -1.8565
177 L B 0.0000
178 D B -2.7901
179 T B -2.2431
180 Q B -2.1688
181 N B -1.7193
182 V B 0.0000
183 L B -0.2943
184 L B 0.0000
185 L B 0.0000
186 A B 0.0000
187 D B 0.0000
188 L B 0.0000
189 F B 0.0000
190 H B 0.0000
191 M B 0.0000
192 N B 0.0000
193 I B 0.0000
194 E B 0.0000
195 E B 0.0000
196 E B -2.0255
197 S B -1.3270
198 L B 0.0000
199 A B -1.5965
200 G B -1.3851
201 A B -1.1356
202 I B 0.0000
203 R B -2.0976
204 A B -1.0263
205 N B -1.0637
206 A B -1.0257
207 S B -0.5889
208 Q B -0.4903
209 I B 0.0000
210 G B -0.1491
211 H B 0.0000
212 L B 0.0000
213 H B 0.0000
214 F B 0.0000
215 A B 0.0000
216 D B 0.0000
217 S B 0.0000
218 N B 0.0000
219 R B 0.0000
220 R B -0.1455
221 P B 0.0000
222 V B 0.0000
223 G B -1.0171
224 M B -0.4520
225 G B -0.9654
226 H B -1.3442
227 T B -1.5665
228 D B -2.2667
229 M B 0.0000
230 M B -0.8593
231 D B -2.1843
232 I B 0.0000
233 A B 0.0000
234 R B -1.4935
235 V B -1.6938
236 L B 0.0000
237 M B -0.3737
238 E B -1.9887
239 V B -1.2436
240 G B -0.7355
241 Y B 0.0000
242 A B 0.3032
243 G B 0.0043
244 Y B -0.0956
245 A B 0.0000
246 S B 0.0000
247 A B 0.0000
248 E B -0.1377
249 V B 0.0000
250 F B 0.3015
251 P B -0.2623
252 W B -0.1164
253 P B -0.5769
254 D B -1.2733
255 P B -1.1382
256 D B -1.6111
257 A B -1.3303
258 A B 0.0000
259 A B 0.0000
260 E B -2.2399
261 Q B -1.5283
262 T B 0.0000
263 M B 0.0000
264 R B -2.7372
265 A B 0.0000
266 F B 0.0000
267 K B -2.7255
268 E B -2.2637
269 C B 0.0000
270 F B 0.0000
271 S B 0.1865
272 V B 1.7623
273 V B 1.5686
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Laboratory of Theory of Biopolymers 2018