Project name: 64d92d1f77ab056

Status: done

Started: 2026-06-27 14:56:29
Settings
Chain sequence(s) A: KLDLKLDLKLDL
C: KLDLKLDLKLDL
B: KLDLKLDLKLDL
E: KLDLKLDLKLDL
D: KLDLKLDLKLDL
G: KLDLKLDLKLDL
F: KLDLKLDLKLDL
I: KLDLKLDLKLDL
H: KLDLKLDLKLDL
K: KLDLKLDLKLDL
J: KLDLKLDLKLDL
L: KLDLKLDLKLDL
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,K,J,L
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                                          (00:09:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:42)
Show buried residues

Minimal score value
-2.0747
Maximal score value
1.0283
Average score
-0.8338
Total score value
-120.0636

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 K A -1.5158
2 L A 0.0672
3 D A -1.5626
4 L A 0.2088
5 K A -1.1399
6 L A 0.4873
7 D A -1.3195
8 L A 0.5199
9 K A -1.0836
10 L A 0.5168
11 D A -0.9220
12 L A 0.9683
1 K B -1.0526
2 L B -0.2253
3 D B -1.5179
4 L B -0.3285
5 K B -1.4860
6 L B -0.2982
7 D B -1.2558
8 L B -0.2415
9 K B -1.4495
10 L B -0.5243
11 D B -1.2965
12 L B 0.6966
1 K C -1.4963
2 L C -0.3885
3 D C -1.6165
4 L C -0.4015
5 K C -1.7038
6 L C -0.6351
7 D C -1.8706
8 L C -0.5227
9 K C -1.7245
10 L C -0.4010
11 D C -1.4601
12 L C 0.8068
1 K D -1.3546
2 L D -0.5584
3 D D -1.5723
4 L D -0.6025
5 K D -1.6452
6 L D -0.6517
7 D D -1.2596
8 L D -0.4255
9 K D -1.4789
10 L D -0.6779
11 D D -1.3210
12 L D 0.7222
1 K E -1.4479
2 L E -0.4790
3 D E -1.2703
4 L E -0.2036
5 K E -1.2647
6 L E -0.3909
7 D E -1.4489
8 L E -0.6854
9 K E -2.0337
10 L E -0.9565
11 D E -1.7812
12 L E 0.7309
1 K F -1.5415
2 L F -0.7791
3 D F -1.8497
4 L F -0.6800
5 K F -1.6117
6 L F -0.5011
7 D F -1.0769
8 L F -0.1952
9 K F -1.1283
10 L F -0.3928
11 D F -1.1602
12 L F 0.8162
1 K G -1.1654
2 L G -0.2449
3 D G -1.1361
4 L G -0.3596
5 K G -1.8031
6 L G -0.8341
7 D G -1.7183
8 L G -0.5813
9 K G -1.5578
10 L G -0.3751
11 D G -1.1880
12 L G 1.0283
1 K H -1.2894
2 L H -0.4367
3 D H -1.4968
4 L H -0.6589
5 K H -2.0501
6 L H -1.0342
7 D H -1.6963
8 L H -0.4729
9 K H -1.2911
10 L H -0.3721
11 D H -1.1576
12 L H 0.8093
1 K I -1.4599
2 L I -0.4931
3 D I -1.4386
4 L I -0.6179
5 K I -2.0747
6 L I -0.9486
7 D I -1.7619
8 L I -0.7117
9 K I -1.9887
10 L I -0.8762
11 D I -1.5470
12 L I 0.7163
1 K J -1.6148
2 L J -0.6414
3 D J -1.9056
4 L J -0.5678
5 K J -1.9104
6 L J -0.6680
7 D J -1.7839
8 L J -0.5336
9 K J -1.8466
10 L J -0.7013
11 D J -1.7174
12 L J 0.5210
1 K K -1.7663
2 L K -0.6402
3 D K -1.6466
4 L K -0.1508
5 K K -1.3788
6 L K -0.2077
7 D K -1.4596
8 L K -0.3833
9 K K -1.7343
10 L K -0.4875
11 D K -1.2401
12 L K 0.6752
1 K L -1.5007
2 L L 0.1433
3 D L -1.3817
4 L L 0.4429
5 K L -1.2419
6 L L 0.7082
7 D L -0.8557
8 L L 0.5799
9 K L -1.3244
10 L L 0.1916
11 D L -1.2154
12 L L 0.7896
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Laboratory of Theory of Biopolymers 2018