Project name: 3d455d9a0514e9e

Chain sequence(s)	A: FEFEFEGSKGH; C: FEFEFEGSKGH; B: FEFEFEGSKGH; E: FEFEFEGSKGH; D: FEFEFEGSKGH; G: FEFEFEGSKGH; F: FEFEFEGSKGH; I: FEFEFEGSKGH; H: FEFEFEGSKGH; K: FEFEFEGSKGH; J: FEFEFEGSKGH; M: FEFEFEGSKGH; L: FEFEFEGSKGH; O: FEFEFEGSKGH; N: FEFEFEGSKGH; Q: FEFEFEGSKGH; P: FEFEFEGSKGH; S: FEFEFEGSKGH; R: FEFEFEGSKGH; T: FEFEFEGSKGH
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R,T
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

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                                          (00:16:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:34)

• Minimal score value: -3.8888
• Maximal score value: 1.073
• Average score: -0.904
• Total score value: -198.8731

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
1	F	A	0.0914
2	E	A	-0.2940
3	F	A	0.0809
4	E	A	-0.1888
5	F	A	-0.0704
6	E	A	-1.0258
7	G	A	-0.6758
8	S	A	-0.9032
9	K	A	-1.0147
10	G	A	-1.3461
11	H	A	-1.2748
1	F	B	-0.8125
2	E	B	-1.1194
3	F	B	0.0000
4	E	B	-1.0583
5	F	B	0.0000
6	E	B	-0.7501
7	G	B	-0.4651
8	S	B	-0.1880
9	K	B	0.0000
10	G	B	-0.3430
11	H	B	-0.7150
1	F	C	-0.4154
2	E	C	-1.5014
3	F	C	0.0000
4	E	C	-1.6573
5	F	C	-1.0908
6	E	C	-1.8018
7	G	C	-1.0108
8	S	C	-0.9301
9	K	C	0.0000
10	G	C	-1.1222
11	H	C	-1.1957
1	F	D	0.7703
2	E	D	-1.2182
3	F	D	-0.1352
4	E	D	-2.2783
5	F	D	-1.4974
6	E	D	-2.8608
7	G	D	-2.2717
8	S	D	-2.1916
9	K	D	-2.6490
10	G	D	-2.1835
11	H	D	-2.0155
1	F	E	-0.6088
2	E	E	-2.4223
3	F	E	0.0000
4	E	E	-3.3418
5	F	E	-2.7411
6	E	E	-3.8643
7	G	E	-2.8504
8	S	E	-2.6329
9	K	E	-2.4447
10	G	E	-2.3340
11	H	E	-2.2568
1	F	F	-1.2132
2	E	F	-2.6178
3	F	F	-2.0674
4	E	F	-3.0624
5	F	F	-2.4202
6	E	F	-3.8888
7	G	F	0.0000
8	S	F	-2.5696
9	K	F	0.0000
10	G	F	-1.7330
11	H	F	-1.2841
1	F	G	-0.7456
2	E	G	-2.4061
3	F	G	-1.5163
4	E	G	-2.9064
5	F	G	-2.1185
6	E	G	-3.6090
7	G	G	0.0000
8	S	G	-2.3624
9	K	G	-1.5436
10	G	G	-1.6742
11	H	G	-1.0531
1	F	H	0.3423
2	E	H	-1.6367
3	F	H	-1.3218
4	E	H	-2.0370
5	F	H	-1.1432
6	E	H	-2.4782
7	G	H	-2.0248
8	S	H	-1.8447
9	K	H	-1.6346
10	G	H	-1.4599
11	H	H	-1.2682
1	F	I	1.0730
2	E	I	-0.5766
3	F	I	0.7110
4	E	I	-1.0379
5	F	I	-0.6561
6	E	I	-1.8713
7	G	I	-1.0981
8	S	I	-1.4172
9	K	I	-1.8317
10	G	I	-1.2366
11	H	I	-1.0568
1	F	J	-0.5422
2	E	J	-1.3103
3	F	J	-0.6229
4	E	J	-1.2326
5	F	J	-0.7714
6	E	J	-2.0761
7	G	J	0.0000
8	S	J	-0.7284
9	K	J	-0.3315
10	G	J	-0.4253
11	H	J	-0.5090
1	F	K	-0.0820
2	E	K	-0.5269
3	F	K	0.1388
4	E	K	0.0000
5	F	K	0.0370
6	E	K	-0.3320
7	G	K	0.0000
8	S	K	-0.2926
9	K	K	-0.5372
10	G	K	0.0000
11	H	K	-0.8184
1	F	L	0.0740
2	E	L	-0.4314
3	F	L	0.3180
4	E	L	0.0000
5	F	L	0.8415
6	E	L	0.0000
7	G	L	0.0000
8	S	L	0.0000
9	K	L	-0.0232
10	G	L	0.0000
11	H	L	-0.6041
1	F	M	0.2783
2	E	M	0.0000
3	F	M	0.6211
4	E	M	0.0000
5	F	M	0.9179
6	E	M	0.0000
7	G	M	0.0000
8	S	M	0.0000
9	K	M	-0.0035
10	G	M	0.0000
11	H	M	-0.5845
1	F	N	0.2598
2	E	N	-0.1504
3	F	N	0.3879
4	E	N	0.2716
5	F	N	0.9001
6	E	N	0.0000
7	G	N	0.0000
8	S	N	0.0000
9	K	N	-0.0020
10	G	N	-0.0268
11	H	N	-0.6369
1	F	O	0.0164
2	E	O	-0.3699
3	F	O	0.4076
4	E	O	0.0000
5	F	O	0.8668
6	E	O	0.2776
7	G	O	0.0000
8	S	O	0.0000
9	K	O	-0.1056
10	G	O	-0.4229
11	H	O	-0.5886
1	F	P	-0.3146
2	E	P	-0.4408
3	F	P	-0.0215
4	E	P	0.0000
5	F	P	0.2261
6	E	P	0.0925
7	G	P	0.0000
8	S	P	0.0000
9	K	P	0.0641
10	G	P	-0.1533
11	H	P	-0.3229
1	F	Q	1.0521
2	E	Q	-0.2618
3	F	Q	0.8249
4	E	Q	-0.3004
5	F	Q	0.7498
6	E	Q	-1.1085
7	G	Q	-0.8952
8	S	Q	-1.2578
9	K	Q	-1.6663
10	G	Q	-1.2662
11	H	Q	-1.2912
1	F	R	0.3348
2	E	R	-1.6214
3	F	R	-1.4707
4	E	R	-2.4456
5	F	R	-1.8655
6	E	R	-2.7600
7	G	R	-2.1546
8	S	R	-1.8165
9	K	R	-1.8552
10	G	R	-1.5538
11	H	R	-1.6496
1	F	S	-0.7802
2	E	S	-2.4031
3	F	S	0.0000
4	E	S	-2.9447
5	F	S	0.0000
6	E	S	-3.0599
7	G	S	-1.6950
8	S	S	-1.5242
9	K	S	0.0000
10	G	S	-1.5266
11	H	S	-1.5317
1	F	T	-1.4228
2	E	T	-2.4400
3	F	T	-1.6610
4	E	T	-2.3947
5	F	T	0.0000
6	E	T	-3.6203
7	G	T	0.0000
8	S	T	-2.4604
9	K	T	0.0000
10	G	T	-1.6733
11	H	T	-0.9889