Project name: IVIVKGHE20

Chain sequence(s)	A: IVIVKGHE; C: IVIVKGHE; B: IVIVKGHE; E: IVIVKGHE; D: IVIVKGHE; G: IVIVKGHE; F: IVIVKGHE; I: IVIVKGHE; H: IVIVKGHE; K: IVIVKGHE; J: IVIVKGHE; M: IVIVKGHE; L: IVIVKGHE; O: IVIVKGHE; N: IVIVKGHE; Q: IVIVKGHE; P: IVIVKGHE; S: IVIVKGHEIVIVKGHE; R: IVIVKGHE
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R
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                                          (00:04:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:49)

• Minimal score value: -3.7235
• Maximal score value: 5.5063
• Average score: -0.3356
• Total score value: -53.6882

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	I	A	4.4283
2	V	A	4.6308
3	I	A	3.5849
4	V	A	1.7857
5	K	A	-1.4485
6	G	A	-1.7891
7	H	A	-2.6493
8	E	A	-2.6473
1	I	B	5.5063
2	V	B	4.8449
3	I	B	3.4846
4	V	B	2.1466
5	K	B	-1.4817
6	G	B	-2.3369
7	H	B	-2.5577
8	E	B	-3.1381
1	I	C	3.4704
2	V	C	2.9521
3	I	C	2.2440
4	V	C	0.5863
5	K	C	-1.7088
6	G	C	-2.3105
7	H	C	-2.8562
8	E	C	-2.7948
1	I	D	3.5821
2	V	D	0.0000
3	I	D	2.0288
4	V	D	0.5306
5	K	D	-1.7081
6	G	D	-2.0424
7	H	D	-3.1888
8	E	D	-2.9352
1	I	E	3.5078
2	V	E	2.7726
3	I	E	1.8097
4	V	E	0.3353
5	K	E	-2.3742
6	G	E	-2.4055
7	H	E	-3.3208
8	E	E	-2.8349
1	I	F	0.0000
2	V	F	2.6137
3	I	F	1.1211
4	V	F	-0.0346
5	K	F	-2.5967
6	G	F	-2.7425
7	H	F	-3.4514
8	E	F	-3.0865
1	I	G	2.9604
2	V	G	0.0000
3	I	G	1.1680
4	V	G	-0.0224
5	K	G	-2.5265
6	G	G	-2.6871
7	H	G	-3.4737
8	E	G	-3.3441
1	I	H	2.9341
2	V	H	0.0000
3	I	H	1.2391
4	V	H	-0.0339
5	K	H	-2.4315
6	G	H	-2.6836
7	H	H	-3.1014
8	E	H	-3.0611
1	I	I	0.0000
2	V	I	2.3103
3	I	I	0.0000
4	V	I	0.0813
5	K	I	-2.6670
6	G	I	-2.7298
7	H	I	-3.6280
8	E	I	-3.2729
1	I	J	2.8178
2	V	J	0.0000
3	I	J	1.2328
4	V	J	0.3503
5	K	J	-2.3033
6	G	J	-2.7738
7	H	J	-3.4084
8	E	J	-3.3118
1	I	K	2.6280
2	V	K	2.4764
3	I	K	0.0000
4	V	K	0.4352
5	K	K	-2.4187
6	G	K	-2.5256
7	H	K	-3.3003
8	E	K	-3.0814
1	I	L	2.8704
2	V	L	0.0000
3	I	L	1.7595
4	V	L	0.6385
5	K	L	-1.6888
6	G	L	-1.9870
7	H	L	-3.1336
8	E	L	-3.0685
1	I	M	2.8314
2	V	M	3.0404
3	I	M	0.0000
4	V	M	0.6321
5	K	M	-1.7131
6	G	M	-2.3893
7	H	M	-3.3613
8	E	M	-2.9513
1	I	N	2.9375
2	V	N	0.0000
3	I	N	1.6738
4	V	N	0.0000
5	K	N	-2.0022
6	G	N	-2.1261
7	H	N	-2.7953
8	E	N	-3.2437
1	I	O	2.9367
2	V	O	0.0000
3	I	O	1.6970
4	V	O	1.6572
5	K	O	-1.4487
6	G	O	-1.9558
7	H	O	-3.3385
8	E	O	-3.0613
1	I	P	2.6910
2	V	P	0.0000
3	I	P	1.9355
4	V	P	1.1913
5	K	P	-1.7240
6	G	P	-2.3789
7	H	P	-2.9880
8	E	P	-3.3689
1	I	Q	3.3737
2	V	Q	3.1971
3	I	Q	2.2936
4	V	Q	0.8922
5	K	Q	-2.1715
6	G	Q	-2.9952
7	H	Q	-3.7235
8	E	Q	-3.4561
1	I	R	3.6564
2	V	R	0.0000
3	I	R	2.0885
4	V	R	1.4784
5	K	R	-2.4583
6	G	R	-2.5947
7	H	R	-2.8776
8	E	R	-3.4160
1	I	S	5.0304
2	V	S	5.1972
3	I	S	3.6884
4	V	S	2.2315
5	K	S	-0.8583
6	G	S	-1.3234
7	H	S	-1.3174
8	E	S	-0.5833
9	I	S	2.7200
10	V	S	3.6300
11	I	S	3.5293
12	V	S	2.7698
13	K	S	-0.8944
14	G	S	-2.0209
15	H	S	-2.6715
16	E	S	-3.2441