Project name: db23e5f8f4c2cf5

Status: done

Started: 2025-10-09 10:51:51
Settings
Chain sequence(s) A: EVQLVESGGGLEQPGGSLRLSCAGSGFTFRDYAMTWVRQAPGKGLEWVSSISGSGGNTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDRLSITIRPRYYGLDVWGQGTTVTVSSASTKGPSVFPLAPCSRSESTAALGCCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVE
C: MKVLQEPTCVSDYMSISTCEWKMNGPTNCSTELRLLYQLVFLLSEAHTCIPENNGGAGCVCHLLMDDVVSADNYTLDLWAGQQLLWKGSFKPSEHVKPRAPGNLTVHDTLLLTWSNPYPPDNYLYNHLTYAVNIPADFRIYNVTYLEPSLRIAARARVRAWAQLYNTTWSEWSPSTKW
B: DIVMTQSPLSLPVTPGEPASISCRSSQSLLYSIGYNYLDWYLQKSGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGFYYCMQALQTPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSSFNRGE
input PDB
Selected Chain(s) A,C,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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:02)
Show buried residues

Minimal score value
-3.6854
Maximal score value
2.1911
Average score
-0.6373
Total score value
-392.5957

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 E A -1.7446
2 V A -0.6115
3 Q A -0.8478
4 L A 0.0000
5 V A 0.7482
6 E A 0.0000
7 S A -0.7123
8 G A -1.1743
9 G A -0.8918
10 G A -0.7135
11 L A -0.3723
12 E A -1.2575
13 Q A -1.9210
14 P A -1.8355
15 G A -1.5361
16 G A -1.2850
17 S A -1.2011
18 L A -1.2395
19 R A -2.0537
20 L A 0.0000
21 S A -0.4478
22 C A 0.0000
23 A A -0.1759
24 G A -0.3714
25 S A -0.5924
26 G A -0.7175
27 F A -0.2277
28 T A -0.5595
29 F A 0.0000
30 R A -1.6933
31 D A -0.5686
32 Y A -0.2448
33 A A 0.0000
34 M A 0.0000
35 T A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A -0.8135
39 Q A -1.0625
40 A A -1.3300
41 P A -1.0063
42 G A -1.4716
43 K A -2.4882
44 G A -1.7169
45 L A 0.0000
46 E A -1.7028
47 W A 0.0000
48 V A 0.0000
49 S A 0.0000
50 S A 0.0000
51 I A 0.0000
52 S A 0.0000
53 G A 0.0000
54 S A -0.9198
55 G A -0.9986
56 G A -0.7973
57 N A -0.5874
58 T A -0.1729
59 Y A -0.1184
60 Y A -0.6952
61 A A -1.4199
62 D A -2.4939
63 S A -1.6428
64 V A 0.0000
65 K A -2.6148
66 G A -1.7755
67 R A -1.5459
68 F A 0.0000
69 T A -0.7911
70 I A 0.0000
71 S A -0.3660
72 R A -1.1055
73 D A -1.6455
74 N A -2.0103
75 S A -1.7447
76 K A -2.3290
77 N A -1.9939
78 T A -1.1314
79 L A 0.0000
80 Y A -0.5610
81 L A 0.0000
82 Q A -1.1395
83 M A 0.0000
84 N A -1.3109
85 S A -1.2674
86 L A 0.0000
87 R A -2.4783
88 A A -1.8709
89 E A -2.2531
90 D A 0.0000
91 T A -0.8981
92 A A 0.0000
93 V A 0.1071
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 K A -0.0718
99 D A 0.0000
100 R A 0.0000
101 L A 0.0103
102 S A 0.0000
103 I A 0.1002
104 T A 0.1307
105 I A 0.0000
106 R A -0.3569
107 P A 0.0000
108 R A -0.4419
109 Y A 0.0000
110 Y A 0.8192
111 G A 0.0000
112 L A 0.0000
113 D A -0.5779
114 V A -0.4768
115 W A -0.3825
116 G A 0.0000
117 Q A -1.1964
118 G A -0.5422
119 T A -0.4468
120 T A 0.0000
121 V A 0.0000
122 T A 0.0000
123 V A 0.0000
124 S A -0.8960
125 S A -0.6843
126 A A -0.5404
127 S A -0.7418
128 T A -0.8910
129 K A -1.6342
130 G A -1.6004
131 P A -0.7469
132 S A -0.3264
133 V A 0.0000
134 F A -0.6691
135 P A -1.0888
136 L A 0.0000
137 A A -0.4972
138 P A -0.5233
139 C A -1.0011
140 S A -1.4298
141 R A -2.5409
142 S A -1.4790
145 E A -2.2420
146 S A -1.2347
147 T A -0.7783
148 A A -0.5295
149 A A 0.0000
150 L A 0.0000
151 G A 0.0000
152 C A 0.0000
153 L A 0.0000
154 V A 0.0000
155 K A 0.0000
156 D A -0.5774
157 Y A 0.0000
158 F A -0.3940
159 P A 0.0000
160 E A -0.4209
161 P A -0.5168
162 V A -0.5116
163 T A -0.4828
164 V A -0.0251
165 S A -0.3334
166 W A 0.0000
167 N A -0.8074
168 S A -0.6655
169 G A -0.5380
170 A A -0.2396
171 L A -0.0461
172 T A -0.1431
173 S A -0.1427
174 G A -0.1128
175 V A 0.2562
176 H A -0.0630
177 T A 0.0232
178 F A 0.0000
179 P A -0.4072
180 A A 0.2441
181 V A 0.5766
182 L A 1.4833
183 Q A 0.3708
184 S A 0.0094
185 S A -0.2048
186 G A 0.0764
187 L A 0.1723
188 Y A 0.4532
189 S A 0.2834
190 L A 0.0000
191 S A 0.0000
192 S A 0.0000
193 V A 0.0000
194 V A 0.0000
195 T A -0.0806
196 V A 0.0000
197 P A -0.4978
198 S A -0.6868
199 S A -0.6566
200 S A -0.5369
201 L A -0.4074
202 G A -0.6632
203 T A -0.8830
204 K A -1.5297
205 T A -1.3988
206 Y A 0.0000
207 T A 0.0000
208 C A 0.0000
209 N A 0.0000
210 V A 0.0000
211 D A -1.7078
212 H A 0.0000
213 K A -2.7698
214 P A -1.5920
215 S A -1.8534
216 N A -2.4808
217 T A -2.0880
218 K A -2.6420
219 V A -1.5059
220 D A -2.6672
221 K A -2.2520
222 R A -2.8737
223 V A 0.0000
224 E A -2.2278
1 D B -1.6970
2 I B 0.0000
3 V B 0.8357
4 M B 0.0000
5 T B -0.6084
6 Q B 0.0000
7 S B -0.3693
8 P B 0.0179
9 L B 0.6124
10 S B 0.0766
11 L B 0.0000
12 P B -0.8267
13 V B 0.0000
14 T B -1.5285
15 P B -1.6709
16 G B -1.6780
17 E B -1.8658
18 P B -1.8063
19 A B 0.0000
20 S B -0.7541
21 I B 0.0000
22 S B -0.9725
23 C B 0.0000
24 R B -1.9907
25 S B 0.0000
26 S B -0.9165
27 Q B -1.5736
28 S B -0.9999
29 L B 0.0000
30 L B 0.9228
31 Y B 1.0741
32 S B 1.3896
33 I B 2.1911
34 G B 1.0190
35 Y B 1.4707
36 N B 0.7820
37 Y B 0.0000
38 L B 0.0000
39 D B 0.0000
40 W B 0.0000
41 Y B 0.0000
42 L B -0.2765
43 Q B -0.7017
44 K B -1.3198
45 S B -1.0253
46 G B -1.4881
47 Q B -2.0037
48 S B -1.3858
49 P B 0.0000
50 Q B -1.3227
51 L B 0.0000
52 L B 0.0000
53 I B 0.0000
54 Y B -0.0011
55 L B 0.3394
56 G B 0.0000
57 S B -0.8006
58 N B -0.9908
59 R B -1.7369
60 A B -0.9704
61 S B -0.8794
62 G B -0.9956
63 V B -1.1034
64 P B -1.3292
65 D B -2.1990
66 R B -1.9068
67 F B 0.0000
68 S B -1.3553
69 G B -0.8547
70 S B -0.8074
71 G B -1.1410
72 S B -0.6347
73 G B -0.8709
74 T B -1.6614
75 D B -2.2390
76 F B 0.0000
77 T B -1.0454
78 L B 0.0000
79 K B -1.6032
80 I B 0.0000
81 S B -2.0874
82 R B -2.8080
83 V B 0.0000
84 E B -2.4955
85 A B -2.3958
86 E B -2.7968
87 D B 0.0000
88 V B 0.0000
89 G B 0.0000
90 F B 0.3376
91 Y B 0.0000
92 Y B 0.0000
93 C B 0.0000
94 M B 0.0000
95 Q B 0.0000
96 A B 0.0000
97 L B -0.1538
98 Q B -1.1339
99 T B -0.7075
100 P B -1.0646
101 Y B 0.0000
102 T B -0.3734
103 F B -0.1107
104 G B 0.0000
105 Q B -1.1579
106 G B 0.0000
107 T B 0.0000
108 K B -0.0940
109 L B 0.0000
110 E B -1.0123
111 I B 0.0000
112 K B -1.6199
113 R B -1.0837
114 T B 0.1740
115 V B 1.3791
116 A B 0.6854
117 A B 0.3155
118 P B 0.0906
119 S B -0.0998
120 V B 0.0000
121 F B -0.1141
122 I B 0.0000
123 F B 0.0000
124 P B -0.4937
125 P B 0.0000
126 S B -1.5166
127 D B -2.7749
128 E B -2.7385
129 Q B 0.0000
130 L B -1.8980
131 K B -2.5938
132 S B -1.5999
133 G B -1.1602
134 T B -0.6814
135 A B 0.0000
136 S B 0.0000
137 V B 0.0000
138 V B 0.0000
139 C B 0.0000
140 L B 0.0000
141 L B 0.0000
142 N B 0.0000
143 N B -0.5727
144 F B 0.0000
145 Y B 0.0000
146 P B -1.4437
147 R B -2.9191
148 E B -3.0926
149 A B -2.1919
150 K B -2.1882
151 V B -1.0015
152 Q B -0.3681
153 W B 0.0000
154 K B -0.4742
155 V B 0.0000
156 D B -1.2242
157 N B -1.1323
158 A B -0.1454
159 L B 0.7793
160 Q B -0.1603
161 S B -0.3743
162 G B -0.9010
163 N B -0.7928
164 S B -1.1647
165 Q B -1.4345
166 E B -2.0144
167 S B -0.9642
168 V B -0.6646
169 T B -0.5465
170 E B -1.0376
171 Q B 0.0000
172 D B -1.7998
173 S B -2.3547
174 K B -2.7409
175 D B -1.9945
176 S B 0.0000
177 T B 0.0000
178 Y B -0.9905
179 S B 0.0000
180 L B 0.0000
181 S B 0.0000
182 S B 0.0000
183 T B -0.7568
184 L B 0.0000
185 T B -0.3565
186 L B -0.5045
187 S B -1.0045
188 K B -1.7649
189 A B -1.6569
190 D B -2.3817
191 Y B 0.0000
192 E B -3.6854
193 K B -3.5565
194 H B -3.0839
195 K B -3.3273
196 V B -1.1819
197 Y B 0.0000
198 A B 0.0000
199 C B 0.0000
200 E B -0.7508
201 V B 0.0000
202 T B -0.9663
203 Q B -1.2644
204 G B -0.8210
205 T B -0.4061
206 T B -0.2456
207 S B -0.4058
208 V B 0.1495
209 T B -0.4442
210 K B -0.9382
211 S B -0.6331
212 F B 0.0000
213 N B -2.0041
214 R B -2.7732
215 G B -2.2510
216 E B -2.9843
1 M C -0.1710
2 K C -1.7762
3 V C -1.4832
4 L C -1.3170
5 Q C -2.6058
6 E C -2.9470
7 P C -1.8168
8 T C -1.1165
9 C C 0.0000
10 V C -0.7763
11 S C 0.0000
12 D C 0.0000
13 Y C 0.0000
14 M C 0.0397
15 S C 0.2798
16 I C 0.7483
17 S C 0.0000
18 T C -0.2535
19 C C 0.0000
20 E C -2.2586
21 W C 0.0000
22 K C -2.7852
23 M C 0.0000
24 N C -1.9570
25 G C -1.3378
26 P C -1.3142
27 T C 0.0000
28 N C -2.3391
29 C C 0.0000
30 S C -1.1419
31 T C -1.0565
32 E C -1.3256
33 L C 0.0000
34 R C -0.2400
35 L C 0.0000
36 L C 0.4101
37 Y C 0.0000
38 Q C 0.2061
39 L C 0.0000
40 V C 1.6272
41 F C 0.9568
42 L C 0.4624
43 L C 0.0000
44 S C 0.0000
45 E C 0.0000
46 A C 0.0421
47 H C 0.1165
48 T C 0.4687
49 C C 0.7214
50 I C 1.1239
51 P C 0.0000
52 E C -2.6429
53 N C -3.2211
54 N C -2.8655
55 G C -2.1041
56 G C -1.8163
57 A C -1.8018
58 G C -2.4104
59 C C 0.0000
60 V C -1.4124
61 C C 0.0000
62 H C -0.4534
63 L C 0.0000
64 L C 1.2872
65 M C 0.0000
66 D C -0.3238
67 D C -0.5690
68 V C 0.0000
69 V C 0.2726
70 S C -0.1728
71 A C 0.0835
72 D C 0.0000
73 N C -0.3812
74 Y C 0.0000
75 T C -0.1817
76 L C 0.0000
77 D C -0.6365
78 L C 0.0000
79 W C -0.8314
80 A C -1.0403
81 G C -1.6170
82 Q C -1.8641
83 Q C -1.5204
84 L C -0.6348
85 L C -0.4230
86 W C -1.0519
87 K C -1.8425
88 G C -1.2820
89 S C -0.6011
90 F C -0.4650
91 K C -1.0856
92 P C 0.0000
93 S C 0.0000
94 E C -1.8559
95 H C -1.5998
96 V C 0.0000
97 K C -1.6251
98 P C 0.0000
99 R C -1.3707
100 A C -1.1622
101 P C 0.0000
102 G C -0.9885
103 N C -1.3581
104 L C -0.6393
105 T C -0.3177
106 V C -0.0577
107 H C -0.6170
112 D C -1.7540
113 T C -1.0636
114 L C -0.3339
115 L C -0.3844
116 L C 0.0000
117 T C -0.6085
118 W C 0.0000
119 S C -0.8474
120 N C -0.7135
121 P C -0.5064
122 Y C 0.0000
123 P C -0.7515
124 P C -1.1557
125 D C -1.8494
126 N C 0.0000
127 Y C -0.1762
128 L C 0.0000
129 Y C -0.2100
130 N C -1.0520
131 H C -0.5353
132 L C 0.0000
133 T C -0.3650
134 Y C 0.0000
135 A C 0.0000
136 V C 0.0000
137 N C 0.0000
138 I C -0.1901
144 P C -0.9372
145 A C -0.7179
146 D C -1.4210
147 F C 0.3093
148 R C -0.2897
149 I C 1.0584
150 Y C 0.1783
151 N C -0.6588
152 V C 0.0000
153 T C 0.2084
154 Y C 0.8048
155 L C 0.9102
156 E C -0.7064
157 P C -0.3052
158 S C -0.3723
159 L C -0.6411
160 R C -1.3715
161 I C -0.0981
162 A C -0.2809
163 A C -0.0154
173 R C -2.1214
174 A C 0.0000
175 R C -1.0692
176 V C 0.0000
177 R C -0.9567
178 A C 0.0000
179 W C -0.1300
180 A C 0.0000
181 Q C -1.0516
182 L C -0.2873
183 Y C 0.2409
184 N C -1.3654
185 T C -0.8545
186 T C -0.4844
187 W C -0.3874
188 S C 0.0000
189 E C -2.0276
190 W C -1.0050
191 S C 0.0000
192 P C -0.9931
193 S C -1.1867
194 T C -1.1429
195 K C -1.5805
196 W C 0.1412
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Laboratory of Theory of Biopolymers 2018