Project name: score

Status: done

Started: 2026-04-10 11:08:19
Settings
Chain sequence(s) A: EKLQPVDGRILMRLHRPAPALKGGGIALGNVGEESVVATVVEVGRGKNEYYYKTTPVRLTRGDEVVIKLDEKVQTLYVNGEEYLILPEESVLAVIVE
C: EKLQPVDGRILMRLHRPAPALKGGGIALGNVGEESVVATVVEVGRGKNEYYYKTTPVRLTRGDEVVIKLDEKVQTLYVNGEEYLILPEESVLAVIVE
B: EKLQPVDGRILMRLHRPAPALKGGGIALGNVGEESVVATVVEVGRGKNEYYYKTTPVRLTRGDEVVIKLDEKVQTLYVNGEEYLILPEESVLAVIVE
E: EKLQPVDGRILMRLHRPAPALKGGGIALGNVGEESVVATVVEVGRGKNEYYYKTTPVRLTRGDEVVIKLDEKVQTLYVNGEEYLILPEESVLAVIVE
D: EKLQPVDGRILMRLHRPAPALKGGGIALGNVGEESVVATVVEVGRGKNEYYYKTTPVRLTRGDEVVIKLDEKVQTLYVNGEEYLILPEESVLAVIVE
G: EKLQPVDGRILMRLHRPAPALKGGGIALGNVGEESVVATVVEVGRGKNEYYYKTTPVRLTRGDEVVIKLDEKVQTLYVNGEEYLILPEESVLAVIVE
F: EKLQPVDGRILMRLHRPAPALKGGGIALGNVGEESVVATVVEVGRGKNEYYYKTTPVRLTRGDEVVIKLDEKVQTLYVNGEEYLILPEESVLAVIVE
input PDB
Selected Chain(s) A,C,B,E,D,G,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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:18:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:26)
Show buried residues

Minimal score value
-3.2008
Maximal score value
0.9704
Average score
-0.8285
Total score value
-562.5369

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 -3.1425
2 K A -2.0331
3 L A 0.0000
4 Q A -0.8414
5 P A 0.0000
6 V A 0.0000
7 D A -1.9463
8 G A 0.0000
9 R A -1.1025
10 I A 0.0000
11 L A 0.0000
12 M A 0.0000
13 R A -1.1262
14 L A -1.1189
15 H A -1.4639
16 R A -2.2321
17 P A -1.4714
18 A A -0.8662
19 P A -0.8659
20 A A -0.8886
21 L A 0.0000
22 K A -2.7657
23 G A -1.7796
24 G A -1.4658
25 G A -1.1028
26 I A -0.5040
27 A A -0.1186
28 L A 0.0783
29 G A -0.1387
30 N A -0.5052
31 V A 0.6964
32 G A -0.4776
33 E A -1.4347
34 E A -0.8368
35 S A 0.0000
36 V A 0.0000
37 V A 0.0000
38 A A 0.0000
39 T A -0.9491
40 V A 0.0000
41 V A -0.7459
42 E A 0.0000
43 V A -0.6853
44 G A 0.0000
45 R A -2.3080
46 G A 0.0000
47 K A -2.6137
48 N A -2.0352
49 E A -1.2691
50 Y A 0.2189
51 Y A 0.4530
52 Y A 0.0189
53 K A -1.3158
54 T A -1.6280
55 T A -1.2945
56 P A -1.3893
57 V A -0.9752
58 R A -0.6607
59 L A 0.0000
60 T A -1.2714
61 R A -2.1167
62 G A -1.6998
63 D A -1.2518
64 E A -0.9518
65 V A 0.0000
66 V A 0.0000
67 I A 0.0000
68 K A -1.2900
69 L A -0.8493
70 D A -1.7748
71 E A -2.6792
72 K A -2.9684
73 V A 0.0000
74 Q A 0.0000
75 T A 0.1386
76 L A 0.0000
77 Y A -0.2967
78 V A 0.0000
79 N A -2.1523
80 G A -1.5426
81 E A -1.7449
82 E A -1.2958
83 Y A -0.4274
84 L A 0.0000
85 I A 0.0000
86 L A 0.0000
87 P A -1.3429
88 E A -1.3716
89 E A -2.3218
90 S A 0.0000
91 V A 0.0000
92 L A 0.0000
93 A A 0.0000
94 V A -0.0780
95 I A -0.5852
96 V A -0.9975
97 E A -2.3782
1 E B -3.1680
2 K B -2.0104
3 L B 0.0000
4 Q B -0.6610
5 P B 0.0000
6 V B 0.0000
7 D B -1.7386
8 G B 0.0000
9 R B -0.9427
10 I B 0.0000
11 L B 0.0000
12 M B 0.0000
13 R B -1.0977
14 L B -1.0124
15 H B -1.3971
16 R B -2.1880
17 P B -1.4421
18 A B -0.8112
19 P B -0.8024
20 A B -0.8480
21 L B 0.0000
22 K B -2.6538
23 G B -1.7350
24 G B -1.4338
25 G B -1.0490
26 I B -0.4102
27 A B -0.1179
28 L B 0.0308
29 G B -0.3158
30 N B -0.6654
31 V B 0.6061
32 G B -0.5765
33 E B -1.6634
34 E B -1.2840
35 S B 0.0000
36 V B -0.3616
37 V B 0.0000
38 A B 0.0000
39 T B -0.9380
40 V B 0.0000
41 V B -0.7829
42 E B 0.0000
43 V B -0.7800
44 G B 0.0000
45 R B -2.2249
46 G B 0.0000
47 K B -2.2349
48 N B -1.7297
49 E B -0.7112
50 Y B 0.6951
51 Y B 0.9704
52 Y B 0.4939
53 K B -0.3079
54 T B -1.1436
55 T B -1.2345
56 P B -1.5766
57 V B -1.5022
58 R B -1.8290
59 L B 0.0000
60 T B -1.5237
61 R B -2.1200
62 G B -1.7142
63 D B -1.2515
64 E B -0.8731
65 V B 0.0000
66 V B 0.0000
67 I B 0.0000
68 K B -1.3066
69 L B -1.1206
70 D B -1.8580
71 E B -2.6962
72 K B -2.9210
73 V B 0.0000
74 Q B 0.0000
75 T B 0.1338
76 L B 0.0000
77 Y B -0.1882
78 V B 0.0000
79 N B -2.0690
80 G B -1.4236
81 E B -1.5090
82 E B -1.0641
83 Y B -0.3324
84 L B 0.0000
85 I B 0.0000
86 L B 0.0000
87 P B 0.0000
88 E B -1.3847
89 E B -1.9230
90 S B 0.0000
91 V B 0.0000
92 L B 0.0000
93 A B 0.0000
94 V B 0.0000
95 I B -0.6587
96 V B -1.1092
97 E B -2.3773
1 E C -2.9591
2 K C -1.8591
3 L C 0.0000
4 Q C -0.7373
5 P C 0.0000
6 V C 0.0000
7 D C -1.8952
8 G C 0.0000
9 R C -0.9664
10 I C 0.0000
11 L C 0.0000
12 M C 0.0000
13 R C -1.3412
14 L C 0.0000
15 H C -1.5476
16 R C -2.2852
17 P C -1.4877
18 A C -0.8859
19 P C -0.8240
20 A C -0.8610
21 L C 0.0000
22 K C -2.8526
23 G C -1.7218
24 G C -1.4347
25 G C -1.0536
26 I C -0.4370
27 A C -0.0795
28 L C 0.0960
29 G C -0.1561
30 N C -0.5135
31 V C 0.7329
32 G C -0.4756
33 E C -1.4379
34 E C -0.8677
35 S C 0.0000
36 V C 0.0000
37 V C 0.0000
38 A C 0.0000
39 T C -0.9559
40 V C 0.0000
41 V C -0.7414
42 E C 0.0000
43 V C -0.6281
44 G C 0.0000
45 R C -2.2564
46 G C 0.0000
47 K C -2.4419
48 N C -2.0964
49 E C -0.9919
50 Y C 0.4106
51 Y C 0.6047
52 Y C -0.2721
53 K C -1.4015
54 T C -1.6300
55 T C -1.4069
56 P C -1.6740
57 V C -1.5011
58 R C -1.8058
59 L C 0.0000
60 T C -1.4407
61 R C -2.0407
62 G C -1.6612
63 D C -1.0955
64 E C -0.7534
65 V C 0.0000
66 V C 0.0000
67 I C 0.0000
68 K C -1.2199
69 L C -1.0285
70 D C -1.7673
71 E C -2.6857
72 K C -2.8998
73 V C 0.0000
74 Q C 0.0000
75 T C 0.0323
76 L C 0.0000
77 Y C -0.2026
78 V C -0.9643
79 N C -2.0542
80 G C -1.4680
81 E C -1.7035
82 E C -1.2754
83 Y C -0.4676
84 L C 0.0000
85 I C 0.0000
86 L C 0.0000
87 P C -1.1961
88 E C -1.2970
89 E C -1.6827
90 S C 0.0000
91 V C 0.0000
92 L C 0.0000
93 A C 0.0000
94 V C 0.0000
95 I C -0.6365
96 V C -1.0614
97 E C -2.5289
1 E D -2.9432
2 K D -2.0851
3 L D 0.0000
4 Q D -0.9005
5 P D 0.0000
6 V D 0.0000
7 D D -1.7815
8 G D 0.0000
9 R D -1.1415
10 I D 0.0000
11 L D 0.0000
12 M D 0.0000
13 R D -1.2596
14 L D -1.1316
15 H D -1.4732
16 R D -2.2152
17 P D -1.4521
18 A D -0.8337
19 P D -0.8473
20 A D -0.8864
21 L D 0.0000
22 K D -2.9291
23 G D -1.7763
24 G D -1.4677
25 G D -1.0947
26 I D -0.4610
27 A D -0.2094
28 L D -0.0688
29 G D -0.3244
30 N D -0.6663
31 V D 0.6123
32 G D -0.5777
33 E D -1.6713
34 E D -1.3222
35 S D 0.0000
36 V D -0.3768
37 V D 0.0000
38 A D 0.0000
39 T D -1.0478
40 V D 0.0000
41 V D -0.7829
42 E D 0.0000
43 V D -0.8691
44 G D 0.0000
45 R D -2.2895
46 G D 0.0000
47 K D -2.4769
48 N D -1.7008
49 E D -0.7162
50 Y D 0.5813
51 Y D 0.5879
52 Y D 0.1294
53 K D -1.1377
54 T D -1.4348
55 T D -1.3174
56 P D -1.6953
57 V D -1.5782
58 R D -1.8356
59 L D 0.0000
60 T D -1.5431
61 R D -2.1254
62 G D -1.7575
63 D D -1.3349
64 E D -1.0626
65 V D 0.0000
66 V D 0.0000
67 I D 0.0000
68 K D -1.3435
69 L D -0.9132
70 D D -1.8068
71 E D -2.6607
72 K D -2.9626
73 V D 0.0000
74 Q D 0.0000
75 T D 0.1471
76 L D 0.0000
77 Y D -0.1095
78 V D -0.8962
79 N D -1.9985
80 G D -1.3767
81 E D -1.5054
82 E D -1.0376
83 Y D -0.3286
84 L D 0.0000
85 I D 0.0000
86 L D 0.0000
87 P D -1.4207
88 E D -1.7063
89 E D -2.4294
90 S D 0.0000
91 V D 0.0000
92 L D 0.0000
93 A D 0.0000
94 V D 0.0000
95 I D -0.8218
96 V D -1.2133
97 E D -2.6348
1 E E -3.2008
2 K E -1.9774
3 L E 0.0000
4 Q E -0.6223
5 P E 0.0000
6 V E 0.0000
7 D E -1.5582
8 G E 0.0000
9 R E -1.0301
10 I E 0.0000
11 L E 0.0000
12 M E 0.0000
13 R E -1.1065
14 L E -1.0957
15 H E -1.4425
16 R E -2.2276
17 P E -1.4728
18 A E -0.8671
19 P E -0.8268
20 A E -0.8557
21 L E 0.0000
22 K E -2.7987
23 G E -1.7223
24 G E -1.4219
25 G E -1.0650
26 I E -0.4642
27 A E -0.0842
28 L E 0.0014
29 G E -0.1891
30 N E -0.4253
31 V E 0.7112
32 G E -0.4641
33 E E -1.3459
34 E E -0.9298
35 S E 0.0000
36 V E 0.0000
37 V E 0.0000
38 A E 0.0000
39 T E -0.8795
40 V E 0.0000
41 V E -0.7169
42 E E 0.0000
43 V E -0.7920
44 G E 0.0000
45 R E -2.1571
46 G E 0.0000
47 K E -2.3779
48 N E -1.7847
49 E E -1.2853
50 Y E 0.0799
51 Y E 0.3462
52 Y E -0.0722
53 K E -1.3601
54 T E -1.5854
55 T E -1.4871
56 P E -1.6444
57 V E -1.5325
58 R E -1.8417
59 L E 0.0000
60 T E -1.4987
61 R E -2.0872
62 G E -1.6535
63 D E -1.1570
64 E E -0.7650
65 V E 0.0000
66 V E 0.0000
67 I E 0.0000
68 K E -1.2462
69 L E -1.0655
70 D E -1.8016
71 E E -2.7015
72 K E -2.9920
73 V E 0.0000
74 Q E 0.0000
75 T E 0.1423
76 L E 0.0000
77 Y E -0.1985
78 V E 0.0000
79 N E -2.1271
80 G E -1.5173
81 E E -1.7255
82 E E -1.1656
83 Y E -0.3744
84 L E 0.0000
85 I E 0.0000
86 L E 0.0000
87 P E -1.3815
88 E E -1.6855
89 E E -2.4431
90 S E 0.0000
91 V E 0.0000
92 L E 0.0000
93 A E 0.0000
94 V E 0.0000
95 I E -0.6211
96 V E -1.0643
97 E E -2.4948
1 E F -3.1897
2 K F -2.0577
3 L F 0.0000
4 Q F -0.9087
5 P F 0.0000
6 V F 0.0000
7 D F -1.7994
8 G F 0.0000
9 R F -0.9057
10 I F 0.0000
11 L F 0.0000
12 M F 0.0000
13 R F -1.2430
14 L F -1.2091
15 H F -1.5094
16 R F -2.2913
17 P F -1.4601
18 A F -0.8494
19 P F -0.8212
20 A F -0.8814
21 L F 0.0000
22 K F -2.7523
23 G F -1.7778
24 G F -1.4703
25 G F -1.0853
26 I F -0.4886
27 A F -0.0964
28 L F 0.1186
29 G F -0.1081
30 N F -0.4999
31 V F 0.7087
32 G F -0.4533
33 E F -1.3841
34 E F -0.7116
35 S F 0.0000
36 V F 0.0000
37 V F 0.0000
38 A F 0.0000
39 T F -0.8966
40 V F 0.0000
41 V F -0.7280
42 E F 0.0000
43 V F -0.7146
44 G F 0.0000
45 R F -2.2511
46 G F 0.0000
47 K F -2.2315
48 N F -2.1389
49 E F -1.3389
50 Y F 0.1977
51 Y F 0.3401
52 Y F -0.0758
53 K F -1.3544
54 T F -1.6030
55 T F -1.2647
56 P F -1.4274
57 V F -1.0355
58 R F -1.0106
59 L F 0.0000
60 T F -1.3505
61 R F -2.1109
62 G F -1.7100
63 D F -1.2338
64 E F -0.7849
65 V F 0.0000
66 V F 0.0000
67 I F 0.0000
68 K F -1.2436
69 L F -1.0111
70 D F -1.7890
71 E F -2.7263
72 K F -2.9606
73 V F 0.0000
74 Q F 0.0000
75 T F -0.0951
76 L F 0.0000
77 Y F -0.4077
78 V F 0.0000
79 N F -2.1463
80 G F -1.5597
81 E F -1.7936
82 E F -1.7051
83 Y F -0.6382
84 L F 0.0000
85 I F 0.0000
86 L F 0.0000
87 P F 0.0000
88 E F 0.0000
89 E F -1.9263
90 S F 0.0000
91 V F 0.0000
92 L F 0.0000
93 A F 0.0000
94 V F -0.0800
95 I F -0.6309
96 V F -1.1052
97 E F -2.4432
1 E G -2.8381
2 K G -1.7879
3 L G 0.0000
4 Q G -0.8576
5 P G 0.0000
6 V G 0.0000
7 D G -2.1738
8 G G 0.0000
9 R G -1.2359
10 I G 0.0000
11 L G 0.0000
12 M G 0.0000
13 R G -1.4930
14 L G -1.2895
15 H G -1.5613
16 R G -2.2960
17 P G -1.4708
18 A G -0.8631
19 P G -0.8585
20 A G -0.8877
21 L G 0.0000
22 K G -2.7410
23 G G -1.7752
24 G G -1.4742
25 G G -1.1008
26 I G -0.5111
27 A G -0.1296
28 L G 0.1356
29 G G -0.0273
30 N G -0.3955
31 V G 0.8042
32 G G -0.3676
33 E G -1.1926
34 E G -0.5993
35 S G 0.0000
36 V G 0.0000
37 V G 0.0000
38 A G 0.0000
39 T G -1.0579
40 V G 0.0000
41 V G -0.8854
42 E G -0.7532
43 V G -0.9921
44 G G 0.0000
45 R G -2.4103
46 G G 0.0000
47 K G -2.8066
48 N G -2.2245
49 E G -1.0552
50 Y G 0.3006
51 Y G 0.2876
52 Y G -0.3354
53 K G -0.7179
54 T G -1.4230
55 T G -1.3623
56 P G -1.6968
57 V G -1.6299
58 R G -1.8430
59 L G 0.0000
60 T G -1.5608
61 R G -2.1735
62 G G -1.7569
63 D G -1.2555
64 E G -1.0199
65 V G 0.0000
66 V G 0.0000
67 I G 0.0000
68 K G -1.1036
69 L G -0.7776
70 D G -1.4092
71 E G -2.2795
72 K G -2.1981
73 V G 0.0000
74 Q G 0.0000
75 T G -0.0004
76 L G 0.0000
77 Y G -0.3168
78 V G -1.0521
79 N G -2.0866
80 G G -1.5382
81 E G -1.8097
82 E G -1.5924
83 Y G -0.6155
84 L G 0.0000
85 I G 0.0000
86 L G 0.0000
87 P G -1.3549
88 E G -1.7772
89 E G -2.3713
90 S G 0.0000
91 V G 0.0000
92 L G 0.0000
93 A G 0.0000
94 V G 0.0000
95 I G -0.7813
96 V G -1.1605
97 E G -2.4390
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Laboratory of Theory of Biopolymers 2018