Project name: 893c2f34dc95ee9

Status: done

Started: 2025-02-18 21:54:21
Settings
Chain sequence(s) A: SILKVHARQIYDSRGNPTVEVDLSTAKGMFRAAVPSGASTGIYEALELRDNDKTTHMGKGVLQAVDHINNTIAPALVNKSLSVLEQEKIDKLMLDMDGTDNKSKFGANAILGVSLAVCKAGAAEKGVPLYRHIADLAGNKEVILPVPAFNVINGGSHAGNKLAMQEFMILPVGASSFKEAMRIGAEVYHNLKNVIKAKYGQDATNVGDEGGFAPNILENKEALELLKTAISKAGYSDQIVIGMDVAASEFYRDGKYDLDFKSPDNPSRYISSDKLADLYKSFAQNYPVVSIEDPFDQDDWAAWFQVHRQRGFQVVGDDLTVT
B: SILKVHARQIYDSRGNPTVEVDLSTAKGMFRAAVPSGASTGIYEALELRDNDKTTHMGKGVLQAVDHINNTIAPALVNKSLSVLEQEKIDKLMLDMDGTDNKSKFGANAILGVSLAVCKAGAAEKGVPLYRHIADLAGNKEVILPVPAFNVINGGSHAGNKLAMQEFMILPVGASSFKEAMRIGAEVYHNLKNVIKAKYGQDATNVGDEGGFAPNILENKEALELLKTAISKAGYSDQIVIGMDVAASEFYRDGKYDLDFKSPDNPSRYISSDKLADLYKSFAQNYPVVSIEDPFDQDDWAAWFQVHRQRGFQVVGDDLTVT
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]                                                (00:00:00)
[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                                          (00:08:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:58)
Show buried residues

Minimal score value
-3.4719
Maximal score value
3.3866
Average score
-0.7476
Total score value
-481.4306

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 S A -0.4287
3 I A 0.0000
4 L A 0.3478
5 K A -1.2492
6 V A 0.0000
7 H A -2.2292
8 A A -1.5030
9 R A -1.1889
10 Q A -0.4423
11 I A -0.0054
12 Y A 0.1265
13 D A -0.4243
14 S A -1.1609
15 R A -1.3276
16 G A -0.3855
17 N A -0.4830
18 P A 0.0000
19 T A 0.0000
20 V A 0.0000
21 E A -0.6833
22 V A 0.0000
23 D A -1.2016
24 L A 0.0000
25 S A -0.6549
26 T A 0.0000
27 A A -0.8879
28 K A -1.8883
29 G A -0.5003
30 M A -0.0902
31 F A -0.4152
32 R A -1.1288
33 A A 0.0000
34 A A -0.2667
35 V A 0.0000
36 P A -0.5082
37 S A -0.6851
38 G A -0.7881
39 A A -0.6394
40 S A -0.2581
41 T A -0.1514
42 G A 0.0000
43 I A 2.0776
44 Y A 1.5509
45 E A -0.1391
46 A A -0.5798
47 L A -0.5501
48 E A -1.0597
49 L A -0.8849
50 R A -1.3514
51 D A -1.9244
52 N A -2.8628
53 D A -2.9444
54 K A -2.7015
55 T A -1.3859
56 T A -1.2726
57 H A 0.0000
58 M A -0.9807
59 G A -2.2468
60 K A -1.6782
61 G A 0.0000
62 V A 0.0000
63 L A -0.1244
64 Q A -1.0032
65 A A 0.0000
66 V A 0.0000
67 D A -2.0216
68 H A -1.5081
69 I A 0.0000
70 N A -2.3485
71 N A -2.1243
72 T A -1.0876
73 I A 0.0000
74 A A 0.0000
75 P A -1.0100
76 A A -0.8178
77 L A 0.0000
78 V A -0.6612
79 N A -1.6472
80 K A -1.9113
81 S A -0.9738
82 L A -0.8439
83 S A -0.6282
84 V A 0.0000
85 L A -0.9077
86 E A -1.2687
87 Q A -1.5694
88 E A -3.2354
89 K A -3.2432
90 I A 0.0000
91 D A -2.2626
92 K A -3.1378
93 L A -2.0498
94 M A 0.0000
95 L A -1.6061
96 D A -2.2733
97 M A -1.0979
98 D A 0.0000
99 G A -1.7350
100 T A -1.9738
101 D A -2.5346
102 N A -1.8886
103 K A -1.9475
104 S A -1.5568
105 K A -1.8426
106 F A 0.0000
107 G A 0.0000
108 A A -0.4675
109 N A 0.0000
110 A A 0.0000
111 I A 0.0000
112 L A 0.6145
113 G A 0.0000
114 V A 0.0000
115 S A 0.0699
116 L A 0.3247
117 A A 0.0000
118 V A 0.0000
119 C A -0.0032
120 K A -0.2379
121 A A 0.0000
122 G A 0.0000
123 A A 0.0000
124 A A -1.6659
125 E A -2.6497
126 K A -2.4524
127 G A -1.6802
128 V A -0.9887
129 P A -0.1163
130 L A 0.3837
131 Y A 1.1638
132 R A -1.4805
133 H A 0.0000
134 I A 0.6923
135 A A -1.1998
136 D A -2.1031
137 L A -0.4145
138 A A -0.8272
139 G A -1.8616
140 N A -2.8898
141 K A -3.4719
142 E A -1.9407
143 V A 1.4792
144 I A 3.3866
145 L A 3.0770
146 P A 2.2032
147 V A 2.4689
148 P A 1.2991
149 A A 0.7418
150 F A 0.2868
151 N A -0.4363
152 V A 0.0000
153 I A 0.0000
154 N A -0.8853
155 G A 0.0000
156 G A 0.0000
157 S A -0.8874
158 H A -1.5122
159 A A -1.7070
160 G A -2.1775
161 N A 0.0000
162 K A -1.6309
163 L A 0.0000
164 A A 0.0000
165 M A 0.0000
166 Q A -0.5947
167 E A -0.5685
168 F A 0.0000
169 M A 0.0000
170 I A 0.0000
171 L A 1.1331
172 P A 0.0000
173 V A 1.5544
174 G A 0.0345
175 A A -0.0915
176 S A -0.4301
177 S A -0.0237
178 F A 0.6002
179 K A -1.5120
180 E A -1.3073
181 A A 0.0000
182 M A -0.2108
183 R A -0.6246
184 I A 0.0000
185 G A 0.0000
186 A A -0.0072
187 E A 0.0000
188 V A 0.0000
189 Y A -0.1739
190 H A -0.5446
191 N A 0.0000
192 L A 0.0000
193 K A -1.4548
194 N A -1.8742
195 V A 0.0000
196 I A 0.0000
197 K A -2.4241
198 A A -1.6397
199 K A -2.0362
200 Y A -1.5108
201 G A -1.8176
202 Q A -2.7356
203 D A -2.5441
204 A A -1.9310
205 T A -1.2047
206 N A -1.1087
207 V A -0.9736
208 G A -1.6911
209 D A -2.9748
210 E A -2.8217
211 G A -1.7564
212 G A 0.0000
213 F A 0.0000
214 A A -0.7815
215 P A 0.0000
216 N A -1.7336
217 I A 0.0000
218 L A -1.0036
219 E A -2.2404
220 N A 0.0000
221 K A -2.2458
222 E A -2.1718
223 A A 0.0000
224 L A 0.0000
225 E A -2.2159
226 L A 0.0000
227 L A 0.0000
228 K A -1.6818
229 T A -1.4175
230 A A 0.0000
231 I A 0.0000
232 S A -1.7121
233 K A -2.0885
234 A A -1.1875
235 G A -1.4054
236 Y A -1.3241
237 S A -1.7280
238 D A -1.9692
239 Q A -0.9627
240 I A 0.0000
241 V A 0.1761
242 I A 0.0000
243 G A 0.0000
244 M A 0.0000
245 D A 0.0000
246 V A 0.0000
247 A A 0.0000
248 A A 0.0000
249 S A -0.2471
250 E A -0.4322
251 F A 0.0000
252 Y A -0.5967
253 R A -1.5624
254 D A -2.4413
255 G A -1.8197
256 K A -2.0806
257 Y A 0.0000
258 D A 0.0000
259 L A -0.1278
260 D A -0.8943
261 F A -0.8437
262 K A -0.8906
263 S A -1.1087
264 P A -1.4781
265 D A -2.5563
266 N A -2.1671
267 P A -1.7043
268 S A -0.9735
269 R A -0.9907
270 Y A -1.0747
271 I A -0.8131
272 S A -1.5733
273 S A -1.9746
274 D A -3.2089
275 K A -3.1492
276 L A 0.0000
277 A A -2.6457
278 D A -3.1914
279 L A -1.9165
280 Y A 0.0000
281 K A -2.7546
282 S A -1.9116
283 F A 0.0000
284 A A -1.4848
285 Q A -2.1614
286 N A -2.3149
287 Y A 0.0000
288 P A -0.6957
289 V A 0.0000
290 V A 0.4220
291 S A 0.0000
292 I A 0.0000
293 E A -0.7851
294 D A 0.0000
295 P A 0.0000
296 F A 0.0000
297 D A 0.0000
298 Q A -0.6500
299 D A -1.5196
300 D A -0.7211
301 W A 0.3694
302 A A 0.3025
303 A A 0.0000
304 W A 0.0000
305 F A 0.2916
306 Q A -1.6539
307 V A 0.0000
308 H A -2.0698
309 R A -2.9315
310 Q A -2.7297
311 R A -2.1845
312 G A -1.1316
313 F A -0.2341
314 Q A -0.8885
315 V A -0.5748
316 V A -0.5130
317 G A -0.9486
318 D A -1.7402
319 D A 0.0000
320 L A -0.5086
321 T A -0.5977
322 V A -0.1209
323 T A -0.3423
2 S B -0.2925
3 I B 0.0000
4 L B 0.4100
5 K B -1.0977
6 V B 0.0000
7 H B -1.8034
8 A B 0.0000
9 R B -0.7765
10 Q B -0.3163
11 I B 0.0336
12 Y B 0.1009
13 D B -0.4799
14 S B -1.1650
15 R B -1.3339
16 G B -0.4103
17 N B -0.4854
18 P B 0.0000
19 T B 0.0000
20 V B 0.0000
21 E B -0.5761
22 V B 0.0000
23 D B -1.0700
24 L B 0.0000
25 S B -0.5925
26 T B 0.0000
27 A B -0.7697
28 K B -1.7126
29 G B -0.4324
30 M B -0.1865
31 F B -0.4159
32 R B -1.1612
33 A B 0.0000
34 A B -0.2476
35 V B 0.0000
36 P B -0.4226
37 S B -0.6958
38 G B -0.8307
39 A B -0.6180
40 S B -0.1977
41 T B -0.1568
42 G B 0.0000
43 I B 2.0188
44 Y B 1.4367
45 E B -0.6273
46 A B -0.9642
47 L B -0.7434
48 E B -1.1361
49 L B -0.8632
50 R B -1.3005
51 D B -1.8804
52 N B -2.7604
53 D B -2.7251
54 K B -2.6221
55 T B -1.3525
56 T B -1.2109
57 H B 0.0000
58 M B -0.9384
59 G B 0.0000
60 K B -1.5014
61 G B 0.0000
62 V B 0.0000
63 L B -0.2635
64 Q B -1.0410
65 A B 0.0000
66 V B 0.0000
67 D B -1.8166
68 H B -1.4283
69 I B 0.0000
70 N B -2.0090
71 N B -1.9534
72 T B -1.0118
73 I B 0.0000
74 A B 0.0000
75 P B -0.6658
76 A B -0.3649
77 L B 0.0000
78 V B 0.0814
79 N B -0.8828
80 K B -0.7527
81 S B -0.4367
82 L B -0.3721
83 S B -0.2706
84 V B 0.0000
85 L B -0.6965
86 E B -1.1210
87 Q B -1.5024
88 E B -3.1853
89 K B -3.1741
90 I B 0.0000
91 D B -2.1654
92 K B -3.0199
93 L B -1.7201
94 M B 0.0000
95 L B -1.4922
96 D B -2.1748
97 M B -1.0084
98 D B 0.0000
99 G B -1.7683
100 T B -2.1112
101 D B -2.7985
102 N B -2.5281
103 K B -2.2442
104 S B -1.6818
105 K B -1.8280
106 F B 0.0000
107 G B 0.0000
108 A B -0.5971
109 N B 0.0000
110 A B 0.0000
111 I B 0.0000
112 L B 0.6293
113 G B 0.0000
114 V B 0.0000
115 S B 0.0842
116 L B 0.3390
117 A B 0.0000
118 V B 0.0000
119 C B 0.0890
120 K B -0.1383
121 A B 0.0000
122 G B 0.0000
123 A B 0.0000
124 A B -1.3614
125 E B -2.1056
126 K B -2.1297
127 G B -1.3927
128 V B -0.5169
129 P B 0.2127
130 L B 0.7082
131 Y B 1.6556
132 R B -0.4553
133 H B 0.0000
134 I B 0.8989
135 A B 0.0000
136 D B -1.8261
137 L B -0.3208
138 A B -0.6828
139 G B -1.7104
140 N B -2.3671
141 K B -2.8210
142 E B -1.7067
143 V B 1.5925
144 I B 3.1100
145 L B 2.9022
146 P B 2.0211
147 V B 2.1737
148 P B 1.1367
149 A B 0.7037
150 F B 0.2392
151 N B -0.4272
152 V B 0.0000
153 I B 0.0000
154 N B 0.0000
155 G B 0.0000
156 G B 0.0000
157 S B -0.6175
158 H B -0.9759
159 A B -1.3917
160 G B -1.9543
161 N B 0.0000
162 K B -1.3639
163 L B 0.0000
164 A B 0.0000
165 M B 0.0000
166 Q B 0.0000
167 E B -0.5656
168 F B 0.0000
169 M B 0.0000
170 I B 0.0000
171 L B 1.1271
172 P B 0.0000
173 V B 1.7120
174 G B 0.0978
175 A B -0.0295
176 S B -0.5672
177 S B -0.3921
178 F B 0.1090
179 K B -1.8151
180 E B -1.6655
181 A B 0.0000
182 M B -0.4671
183 R B -0.8345
184 I B 0.0000
185 G B 0.0000
186 A B -0.0558
187 E B 0.0000
188 V B 0.0000
189 Y B -0.2094
190 H B -0.5891
191 N B -1.0279
192 L B 0.0000
193 K B -1.5755
194 N B -2.1925
195 V B -1.5011
196 I B 0.0000
197 K B -2.4740
198 A B -1.6718
199 K B -2.0539
200 Y B -1.4284
201 G B -1.8850
202 Q B -2.8682
203 D B -2.6540
204 A B -1.9928
205 T B -1.2765
206 N B -1.0003
207 V B -0.9055
208 G B -1.5523
209 D B -2.8898
210 E B -2.8209
211 G B -1.7730
212 G B 0.0000
213 F B 0.0000
214 A B -0.8737
215 P B 0.0000
216 N B -1.6041
217 I B 0.0000
218 L B -0.4322
219 E B -1.4629
220 N B 0.0000
221 K B -1.7372
222 E B -1.8224
223 A B 0.0000
224 L B 0.0000
225 E B -2.0383
226 L B 0.0000
227 L B 0.0000
228 K B -1.5784
229 T B -1.3256
230 A B 0.0000
231 I B 0.0000
232 S B -1.6673
233 K B -2.0677
234 A B -1.1172
235 G B -1.4042
236 Y B -1.3037
237 S B -1.6925
238 D B -1.9325
239 Q B -0.9017
240 I B 0.0000
241 V B 0.3060
242 I B 0.0000
243 G B 0.0000
244 M B 0.0000
245 D B -0.6188
246 V B 0.0000
247 A B -0.6148
248 A B 0.0000
249 S B -0.3094
250 E B -0.4986
251 F B 0.0000
252 Y B -0.7626
253 R B -1.4805
254 D B -2.3298
255 G B -1.5681
256 K B -1.8701
257 Y B 0.0000
258 D B 0.0000
259 L B 0.0058
260 D B -0.7660
261 F B -0.8461
262 K B -0.9191
263 S B -0.9816
264 P B -1.5222
265 D B -2.6817
266 N B -2.4335
267 P B -1.8082
268 S B -1.0238
269 R B -1.0805
270 Y B -1.0717
271 I B -0.7360
272 S B -1.5367
273 S B -1.8017
274 D B -3.2339
275 K B -3.2005
276 L B 0.0000
277 A B -2.4577
278 D B -3.0189
279 L B -1.7861
280 Y B 0.0000
281 K B -2.1871
282 S B -1.6065
283 F B 0.0000
284 A B -1.2198
285 Q B -1.9513
286 N B -2.0507
287 Y B 0.0000
288 P B -0.4665
289 V B 0.0000
290 V B 0.4058
291 S B 0.0000
292 I B 0.0000
293 E B -0.8862
294 D B 0.0000
295 P B 0.0000
296 F B 0.0000
297 D B 0.0000
298 Q B -0.6721
299 D B -1.4672
300 D B -0.5598
301 W B 0.3737
302 A B 0.3084
303 A B 0.0000
304 W B 0.0000
305 F B 0.3297
306 Q B -1.6302
307 V B 0.0000
308 H B -1.9580
309 R B -2.8876
310 Q B -2.5883
311 R B -1.9541
312 G B -0.9885
313 F B 0.0004
314 Q B -0.7752
315 V B -0.5234
316 V B -0.5219
317 G B -1.0110
318 D B -1.8429
319 D B -0.8597
320 L B -0.5957
321 T B -0.4885
322 V B -0.2352
323 T B -0.3996
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Laboratory of Theory of Biopolymers 2018