Project name: 63426e858f74735

Status: done

Started: 2026-07-15 16:48:11
Settings
Chain sequence(s) A: DIQMTQSPSSLSASVGDRVTITCSASQDISNYLNWYQQKPGKAPKVLIYFTSSLHSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYSTVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
B: EVQLVESGGGLVQPGGSLRLSCAASGYTFTNYGMNWVRQAPGKGLEWVGWINTYTGEPTYAADFKRRFTFSLDTSKSTAYLQMNSLRAEDTAVYYCAKYPHYYGSSHWYFDVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP
E: DIQMTQSPSSLSASVGDRVTITCSASQDISNYLNWYQQKPGKAPKVLIYFTSSLHSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYSTVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
F: EVQLVESGGGLVQPGGSLRLSCAASGYTFTNYGMNWVRQAPGKGLEWVGWINTYTGEPTYAADFKRRFTFSLDTSKSTAYLQMNSLRAEDTAVYYCAKYPHYYGSSHWYFDVWGQGTLVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP
input PDB
Selected Chain(s) A,B,E,F
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:09:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:50)
Show buried residues

Minimal score value
-3.7782
Maximal score value
1.5564
Average score
-0.6602
Total score value
-569.7622

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 D A -2.0652
2 I A 0.0000
3 Q A -2.0107
4 M A 0.0000
5 T A -0.8763
6 Q A 0.0000
7 S A -0.4804
8 P A -0.5915
9 S A -0.9298
10 S A -0.9782
11 L A -0.6911
12 S A -1.0519
13 A A -1.3300
14 S A -1.6006
15 V A 0.0000
16 G A -1.4671
17 D A -2.3140
18 R A -2.4887
19 V A 0.0000
20 T A -0.6447
21 I A 0.0000
22 T A -0.6040
23 C A 0.0000
24 S A -1.4637
25 A A 0.0000
26 S A -2.0100
27 Q A -2.8534
28 D A -2.7988
29 I A 0.0000
30 S A -1.1475
31 N A -0.6885
32 Y A 0.1239
33 L A 0.0000
34 N A 0.0000
35 W A 0.0000
36 Y A 0.0000
37 Q A 0.0000
38 Q A -1.3546
39 K A -1.7370
40 P A -1.5320
41 G A -1.6119
42 K A -2.5742
43 A A -1.6558
44 P A 0.0000
45 K A -1.9362
46 V A 0.0000
47 L A 0.0000
48 I A 0.0000
49 Y A 0.3882
50 F A 0.6325
51 T A 0.0000
52 S A -0.0787
53 S A 0.1163
54 L A 0.2491
55 H A -0.4191
56 S A -0.3889
57 G A -0.5205
58 V A -0.3715
59 P A -0.3511
60 S A -0.3872
61 R A -0.6534
62 F A 0.0000
63 S A -0.2893
64 G A -0.1940
65 S A -0.7074
66 G A -1.1035
67 S A -1.3184
68 G A -1.7876
69 T A -2.1092
70 D A -2.4626
71 F A 0.0000
72 T A -0.6635
73 L A 0.0000
74 T A -0.5716
75 I A 0.0000
76 S A -1.2122
77 S A -1.3113
78 L A 0.0000
79 Q A -0.8502
80 P A 0.0000
81 E A -1.3484
82 D A 0.0000
83 F A -1.0929
84 A A 0.0000
85 T A -0.9556
86 Y A 0.0000
87 Y A 0.0000
88 C A 0.0000
89 Q A 0.0000
90 Q A 0.0000
91 Y A 0.0000
92 S A -0.4289
93 T A 0.0480
94 V A 0.7841
95 P A 0.1955
96 W A 0.0000
97 T A -0.6788
98 F A 0.0000
99 G A 0.0000
100 Q A -1.5968
101 G A 0.0000
102 T A 0.0000
103 K A -1.7932
104 V A 0.0000
105 E A -1.2618
106 I A 0.0000
107 K A -1.9262
108 R A -1.0112
109 T A -0.2863
110 V A 0.3071
111 A A 0.0148
112 A A -0.1152
113 P A 0.0000
114 S A -0.2119
115 V A 0.0000
116 F A 0.0000
117 I A 0.0000
118 F A 0.0000
119 P A -0.7481
120 P A -0.8328
121 S A -1.6276
122 D A -2.9466
123 E A -3.0045
124 Q A 0.0000
125 L A -2.2053
126 K A -2.7784
127 S A -1.7501
128 G A -1.1910
129 T A -0.9595
130 A A 0.0000
131 S A 0.0000
132 V A 0.0000
133 V A 0.0000
134 C A 0.0000
135 L A 0.0000
136 L A 0.0000
137 N A 0.0000
138 N A -0.9208
139 F A 0.0000
140 Y A 0.0000
141 P A -1.5800
142 R A -2.5072
143 E A -2.9056
144 A A -2.0118
145 K A -2.0628
146 V A -1.2063
147 Q A -0.7421
148 W A 0.0000
149 K A -0.7771
150 V A 0.0000
151 D A -1.9728
152 N A -1.5973
153 A A -0.4522
154 L A 0.2182
155 Q A -0.3440
156 S A -0.5353
157 G A -0.9367
158 N A -0.9082
159 S A -1.1866
160 Q A -1.4256
161 E A -1.9705
162 S A -0.8704
163 V A -0.7737
164 T A -1.1548
165 E A -2.1834
166 Q A 0.0000
167 D A -1.8224
168 S A -1.6329
169 K A -1.7588
170 D A -1.4734
171 S A 0.0000
172 T A 0.0000
173 Y A 0.0000
174 S A 0.0000
175 L A 0.0000
176 S A 0.0000
177 S A 0.0000
178 T A -0.7400
179 L A 0.0000
180 T A -0.4353
181 L A -0.6975
182 S A -1.2120
183 K A -2.0380
184 A A -1.8801
185 D A -2.6289
186 Y A 0.0000
187 E A -3.7188
188 K A -3.7782
189 H A -3.1953
190 K A -3.3748
191 V A -1.7166
192 Y A 0.0000
193 A A 0.0000
194 C A 0.0000
195 E A -0.6888
196 V A 0.0000
197 T A -1.1143
198 H A 0.0000
199 Q A -1.6230
200 G A -0.3510
201 L A -0.1901
202 S A -0.6846
203 S A -0.5249
204 P A -0.4358
205 V A -0.0060
206 T A -0.3065
207 K A -0.4849
208 S A -0.6176
209 F A 0.0000
210 N A -2.3055
211 R A -2.5818
212 G A -1.5866
1 E B -2.0199
2 V B -1.1756
3 Q B -1.1203
4 L B 0.0000
5 V B 0.8972
6 E B 0.0000
7 S B -0.4810
8 G B -0.9717
9 G B -0.5706
10 G B -0.3054
11 L B -0.1454
12 V B 0.0000
13 Q B -1.7321
14 P B -1.8793
15 G B -1.5360
16 G B -1.2303
17 S B -1.3675
18 L B -1.2520
19 R B -2.1933
20 L B 0.0000
21 S B -0.4164
22 C B 0.0000
23 A B -0.0522
24 A B 0.0000
25 S B -0.9210
26 G B -1.1665
27 Y B -0.7675
28 T B -0.5580
29 F B 0.0000
30 T B -0.3261
31 N B -1.2025
32 Y B 0.0000
33 G B -0.4725
34 M B 0.0000
35 N B 0.0000
36 W B 0.0000
37 V B 0.0000
38 R B -0.6313
39 Q B -0.9269
40 A B -1.2374
41 P B -0.9885
42 G B -1.4880
43 K B -2.3677
44 G B -1.6249
45 L B 0.0000
46 E B -1.3008
47 W B 0.0000
48 V B 0.0000
49 G B 0.0000
50 W B -0.1986
51 I B 0.0000
52 N B -0.8624
53 T B 0.0000
54 Y B 0.5640
55 T B -0.2368
56 G B -0.8639
57 E B -1.9105
58 P B -1.2825
59 T B -0.5059
60 Y B -0.6784
61 A B 0.0000
62 A B -1.3168
63 D B -2.5097
64 F B 0.0000
65 K B -2.8821
66 R B -3.1078
67 R B -2.1420
68 F B 0.0000
69 T B -1.1410
70 F B 0.0000
71 S B -0.6646
72 L B -0.2684
73 D B -1.1048
74 T B -0.7738
75 S B -1.2232
76 K B -2.0029
77 S B -1.1334
78 T B 0.0000
79 A B 0.0000
80 Y B 0.0000
81 L B 0.0000
82 Q B -1.3245
83 M B 0.0000
84 N B -1.7631
85 S B -1.5484
86 L B 0.0000
87 R B -2.5474
88 A B -1.8348
89 E B -2.2904
90 D B 0.0000
91 T B -0.7939
92 A B 0.0000
93 V B 0.1200
94 Y B 0.0000
95 Y B 0.0000
96 C B 0.0000
97 A B 0.0000
98 K B 0.0000
99 Y B 0.0000
100 P B 0.0000
101 H B -0.4246
102 Y B 0.9502
103 Y B 0.5916
104 G B 0.1781
105 S B -0.0917
106 S B 0.1507
107 H B 0.2619
108 W B 0.5103
109 Y B 0.0000
110 F B 0.0000
111 D B -0.7999
112 V B -0.5950
113 W B -0.5513
114 G B 0.0000
115 Q B -1.3143
116 G B -0.6365
117 T B -0.0998
118 L B 0.1645
119 V B 0.0000
120 T B -0.5046
121 V B 0.0000
122 S B -0.8595
123 S B -0.7887
124 A B -0.4833
125 S B -0.6136
126 T B -0.6690
127 K B -1.1787
128 G B -1.4188
129 P B 0.0000
130 S B -0.4823
131 V B 0.0000
132 F B 0.0000
133 P B -1.1995
134 L B 0.0000
135 A B -0.9051
136 P B 0.0000
137 S B -0.6376
138 S B -0.5078
139 K B -0.6452
140 S B 0.0000
141 T B -0.3703
142 S B -0.7410
143 G B -1.2232
144 G B -0.9291
145 T B -0.7007
146 A B 0.0000
147 A B 0.0000
148 L B 0.0000
149 G B 0.0000
150 C B 0.0000
151 L B 0.0000
152 V B 0.0000
153 K B 0.0000
154 D B -0.3836
155 Y B 0.0000
156 F B 0.0000
157 P B 0.0000
158 E B -0.3465
159 P B -0.5839
160 V B -0.5492
161 T B -0.4518
162 V B -0.3516
163 S B -0.4163
164 W B 0.0000
165 N B -0.8363
166 S B -0.7297
167 G B -0.6272
168 A B -0.2782
169 L B -0.0012
170 T B -0.1721
171 S B -0.2034
172 G B -0.1214
173 V B 0.2107
174 H B -0.3534
175 T B -0.1738
176 F B 0.0000
177 P B -0.4475
178 A B 0.1796
179 V B 0.4136
180 L B 1.1211
181 Q B 0.1889
182 S B -0.1876
183 S B -0.2120
184 G B 0.0454
185 L B 0.1280
186 Y B 0.4596
187 S B 0.0000
188 L B 0.0000
189 S B 0.0000
190 S B 0.0000
191 V B 0.0000
192 V B 0.0000
193 T B -0.0738
194 V B 0.0000
195 P B -0.5969
196 S B -0.3196
197 S B -0.3799
198 S B -0.6376
199 L B -0.9083
200 G B -1.1361
201 T B -0.8711
202 Q B -1.6005
203 T B -1.2908
204 Y B 0.0000
205 I B -1.2318
206 C B 0.0000
207 N B -1.4798
208 V B 0.0000
209 N B -1.8240
210 H B 0.0000
211 K B -2.6850
212 P B -1.5544
213 S B -1.8356
214 N B -2.4754
215 T B -2.0457
216 K B -2.6900
217 V B -1.7648
218 D B -2.5568
219 K B -2.1800
220 K B -2.4566
221 V B 0.0000
222 E B -2.5147
223 P B -1.2069
1 D E -2.0090
2 I E 0.0000
3 Q E -1.9933
4 M E 0.0000
5 T E -0.8511
6 Q E 0.0000
7 S E -0.5060
8 P E -0.4880
9 S E -0.7264
10 S E -0.6636
11 L E -0.4245
12 S E -0.5843
13 A E -0.7702
14 S E -0.7696
15 V E -0.1233
16 G E -0.8385
17 D E -1.7756
18 R E -2.2903
19 V E 0.0000
20 T E -0.6130
21 I E 0.0000
22 T E -0.5520
23 C E 0.0000
24 S E -1.4128
25 A E 0.0000
26 S E -1.9287
27 Q E -2.5851
28 D E -2.7295
29 I E 0.0000
30 S E -0.9393
31 N E -0.7707
32 Y E 0.0923
33 L E 0.0000
34 N E 0.0000
35 W E 0.0000
36 Y E 0.0000
37 Q E 0.0000
38 Q E -1.2474
39 K E -1.7389
40 P E -1.4613
41 G E -1.6148
42 K E -2.5235
43 A E -1.5852
44 P E 0.0000
45 K E -1.5450
46 V E 0.0000
47 L E 0.0000
48 I E 0.0000
49 Y E 0.4945
50 F E 0.7204
51 T E 0.0000
52 S E -0.0628
53 S E 0.1904
54 L E 0.3404
55 H E -0.2915
56 S E -0.3741
57 G E -0.4992
58 V E -0.3220
59 P E -0.3382
60 S E -0.4099
61 R E -0.6932
62 F E 0.0000
63 S E -0.3022
64 G E -0.1792
65 S E -0.7031
66 G E -1.0424
67 S E -1.3544
68 G E -1.8242
69 T E -2.0921
70 D E -2.4374
71 F E 0.0000
72 T E -0.6527
73 L E 0.0000
74 T E -0.6175
75 I E 0.0000
76 S E -1.3454
77 S E -1.1461
78 L E 0.0000
79 Q E -0.9591
80 P E -1.5993
81 E E -1.8945
82 D E 0.0000
83 F E 0.0000
84 A E 0.0000
85 T E -0.7655
86 Y E 0.0000
87 Y E 0.0000
88 C E 0.0000
89 Q E 0.0000
90 Q E 0.0000
91 Y E 0.0000
92 S E -0.2182
93 T E 0.2149
94 V E 0.8257
95 P E 0.2020
96 W E 0.0000
97 T E -0.7091
98 F E 0.0000
99 G E 0.0000
100 Q E -1.4962
101 G E 0.0000
102 T E 0.0000
103 K E -1.2554
104 V E 0.0000
105 E E 0.0000
106 I E 0.0000
107 K E -1.0805
108 R E -0.8882
109 T E -0.0157
110 V E 0.7444
111 A E 0.1882
112 A E 0.0604
113 P E 0.0000
114 S E -0.2218
115 V E 0.0000
116 F E 0.0901
117 I E 0.0975
118 F E 0.0000
119 P E -0.5984
120 P E -0.8345
121 S E -1.6522
122 D E -3.0090
123 E E -2.9634
124 Q E 0.0000
125 L E -2.1356
126 K E -2.8729
127 S E -1.7713
128 G E -1.4442
129 T E -1.2583
130 A E 0.0000
131 S E 0.0000
132 V E 0.0000
133 V E 0.0000
134 C E 0.0000
135 L E 0.0000
136 L E 0.0000
137 N E 0.0000
138 N E -1.0477
139 F E 0.0000
140 Y E 0.0000
141 P E 0.0000
142 R E -2.1829
143 E E -2.3191
144 A E -1.6952
145 K E -1.9097
146 V E -0.8492
147 Q E -0.8311
148 W E 0.0000
149 K E -1.0254
150 V E 0.0000
151 D E -2.1061
152 N E -1.8419
153 A E -1.1778
154 L E -1.0589
155 Q E -0.8159
156 S E 0.0000
157 G E 0.0000
158 N E -0.6002
159 S E 0.0000
160 Q E -0.5191
161 E E -1.0036
162 S E -0.5710
163 V E -0.5469
164 T E -1.1202
165 E E -2.1690
166 Q E 0.0000
167 D E -2.2302
168 S E -2.3436
169 K E -2.7639
170 D E -2.2868
171 S E 0.0000
172 T E 0.0000
173 Y E 0.0000
174 S E 0.0000
175 L E 0.0000
176 S E 0.0000
177 S E 0.0000
178 T E -0.3675
179 L E 0.0000
180 T E -0.3173
181 L E -0.7578
182 S E -1.1768
183 K E -2.2118
184 A E -1.9979
185 D E -2.6705
186 Y E 0.0000
187 E E -3.7462
188 K E -3.6464
189 H E -2.9531
190 K E -3.2036
191 V E -1.6339
192 Y E 0.0000
193 A E 0.0000
194 C E 0.0000
195 E E -0.8303
196 V E 0.0000
197 T E -0.8837
198 H E 0.0000
199 Q E -0.8060
200 G E 0.0346
201 L E 0.0558
202 S E -0.3054
203 S E -0.3324
204 P E -0.4675
205 V E -0.0969
206 T E -0.5285
207 K E -0.7759
208 S E -0.7397
209 F E -0.9414
210 N E -2.0580
211 R E -2.3350
212 G E -1.4515
1 E F -2.0312
2 V F -1.2081
3 Q F -0.9886
4 L F 0.0000
5 V F 1.1733
6 E F 0.0000
7 S F -0.3654
8 G F -0.9197
9 G F -0.3777
10 G F -0.3879
11 L F 0.0603
12 V F -0.5407
13 Q F -1.5177
14 P F -1.6354
15 G F -1.4854
16 G F -1.2087
17 S F -1.5539
18 L F -1.1517
19 R F -2.1924
20 L F 0.0000
21 S F -0.3819
22 C F 0.0000
23 A F 0.0151
24 A F 0.0000
25 S F -0.8464
26 G F -1.1611
27 Y F -0.7811
28 T F -0.5629
29 F F 0.0000
30 T F -0.2870
31 N F -1.1815
32 Y F 0.0000
33 G F 0.0000
34 M F 0.0000
35 N F 0.0000
36 W F 0.0000
37 V F 0.0000
38 R F -0.5845
39 Q F -0.7706
40 A F -1.0512
41 P F -0.8090
42 G F -1.1797
43 K F -1.7939
44 G F -1.3570
45 L F 0.0000
46 E F -1.3224
47 W F 0.0000
48 V F 0.0000
49 G F 0.0000
50 W F -0.1357
51 I F 0.0000
52 N F -0.8509
53 T F 0.0000
54 Y F 0.5720
55 T F -0.2119
56 G F -0.8357
57 E F -1.8590
58 P F -1.2800
59 T F -0.5147
60 Y F -0.7102
61 A F 0.0000
62 A F -1.3799
63 D F -2.8432
64 F F 0.0000
65 K F -3.2395
66 R F -3.5220
67 R F -2.7065
68 F F 0.0000
69 T F -1.3756
70 F F 0.0000
71 S F -0.4576
72 L F -0.3994
73 D F -1.0793
74 T F -0.7879
75 S F -1.2150
76 K F -2.0027
77 S F -1.1390
78 T F 0.0000
79 A F 0.0000
80 Y F 0.0000
81 L F 0.0000
82 Q F -1.6268
83 M F 0.0000
84 N F -2.3696
85 S F -1.7375
86 L F 0.0000
87 R F -2.2058
88 A F -1.6187
89 E F -2.1666
90 D F 0.0000
91 T F -0.6783
92 A F 0.0000
93 V F 0.2153
94 Y F 0.0000
95 Y F 0.0000
96 C F 0.0000
97 A F 0.0000
98 K F 0.0000
99 Y F 0.1112
100 P F 0.0000
101 H F -0.3698
102 Y F 1.0219
103 Y F 0.7530
104 G F 0.2552
105 S F -0.0260
106 S F 0.2945
107 H F 0.4584
108 W F 0.7909
109 Y F 0.0000
110 F F 0.0000
111 D F -0.4857
112 V F -0.4349
113 W F 0.0000
114 G F 0.0000
115 Q F -1.2486
116 G F -0.5485
117 T F 0.0048
118 L F 0.2409
119 V F 0.0000
120 T F -0.3952
121 V F 0.0000
122 S F -0.8769
123 S F -0.6537
124 A F -0.4520
125 S F -0.5667
126 T F -0.6145
127 K F -1.2555
128 G F -1.4105
129 P F 0.0000
130 S F -0.4139
131 V F 0.0000
132 F F 0.0000
133 P F -1.2269
134 L F 0.0000
135 A F -0.7970
136 P F -0.4703
144 G F -0.6546
145 T F -0.4923
146 A F -0.2564
147 A F 0.0000
148 L F 0.0000
149 G F 0.0000
150 C F 0.0000
151 L F 0.0000
152 V F 0.0000
153 K F 0.0000
154 D F -0.3028
155 Y F 0.0000
156 F F 0.0000
157 P F 0.0000
158 E F -0.6822
159 P F -0.7629
160 V F -0.4733
161 T F -0.5499
162 V F -0.1479
163 S F -0.3997
164 W F 0.0000
165 N F -0.7586
166 S F -0.6681
167 G F -0.5807
168 A F -0.2554
169 L F -0.0206
170 T F -0.1824
171 S F -0.1899
172 G F -0.2454
173 V F 0.1846
174 H F -0.3319
175 T F -0.1879
176 F F 0.0000
177 P F -0.2189
178 A F 0.3920
179 V F 0.8478
180 L F 1.5564
181 Q F 0.5796
182 S F 0.1264
183 S F -0.1543
184 G F 0.1485
185 L F 0.2618
186 Y F 0.5956
187 S F 0.0000
188 L F 0.0000
189 S F 0.0000
190 S F 0.0000
191 V F 0.0000
192 V F 0.0000
193 T F -0.1437
194 V F 0.0000
195 P F -0.4559
196 S F -0.5391
197 S F -0.5720
198 S F -0.5991
199 L F -0.7411
200 G F -1.0364
201 T F -0.7529
202 Q F -1.2721
203 T F -1.2126
204 Y F 0.0000
205 I F -1.2367
206 C F 0.0000
207 N F -1.4376
208 V F 0.0000
209 N F -1.9049
210 H F 0.0000
211 K F -2.7738
212 P F -1.6204
213 S F -1.8433
214 N F -2.5604
215 T F -2.0702
216 K F -2.6849
217 V F -1.4976
218 D F -2.4709
219 K F -1.9602
220 K F -2.6164
221 V F 0.0000
222 E F -2.5375
223 P F -1.3839
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Laboratory of Theory of Biopolymers 2018