Project name: IVIVKGHE12

Chain sequence(s)	A: IVIVKGHE; C: IVIVKGHE; B: IVIVKGHE; E: IVIVKGHE; D: IVIVKGHE; G: IVIVKGHE; F: IVIVKGHE; I: IVIVKGHE; H: IVIVKGHE; K: IVIVKGHEIVIVKGHE; J: IVIVKGHE
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[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                                          (00:02:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:47)

• Minimal score value: -4.3748
• Maximal score value: 4.7257
• Average score: -0.3036
• Total score value: -29.1434

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	4.5072
2	V	A	3.2992
3	I	A	1.7948
4	V	A	-0.1767
5	K	A	-2.6917
6	G	A	-2.9034
7	H	A	-3.5218
8	E	A	-3.2007
1	I	B	3.7636
2	V	B	3.2642
3	I	B	1.7433
4	V	B	0.1594
5	K	B	-2.1992
6	G	B	-3.0646
7	H	B	-3.4619
8	E	B	-3.5532
1	I	C	4.3770
2	V	C	0.0000
3	I	C	1.7763
4	V	C	0.1439
5	K	C	-1.8010
6	G	C	-2.9795
7	H	C	-3.3370
8	E	C	-3.3053
1	I	D	4.5241
2	V	D	0.0000
3	I	D	2.1522
4	V	D	0.3251
5	K	D	-2.0388
6	G	D	-2.6689
7	H	D	-3.0900
8	E	D	-3.2178
1	I	E	4.6012
2	V	E	4.0961
3	I	E	2.9084
4	V	E	0.7881
5	K	E	-1.8918
6	G	E	-2.6359
7	H	E	-3.1226
8	E	E	-3.1308
1	I	F	4.7257
2	V	F	0.0000
3	I	F	3.3745
4	V	F	0.8128
5	K	F	-1.8205
6	G	F	-2.5145
7	H	F	-3.0317
8	E	F	-3.0799
1	I	G	4.2949
2	V	G	3.9762
3	I	G	2.8457
4	V	G	0.5349
5	K	G	-2.0004
6	G	G	-2.6244
7	H	G	-3.1015
8	E	G	-3.0686
1	I	H	4.2140
2	V	H	3.7403
3	I	H	2.1261
4	V	H	0.2399
5	K	H	-2.3093
6	G	H	-2.9797
7	H	H	-4.1146
8	E	H	-3.7154
1	I	I	4.3061
2	V	I	3.7246
3	I	I	2.8837
4	V	I	0.0000
5	K	I	-2.0792
6	G	I	-3.1319
7	H	I	-4.0557
8	E	I	-4.3748
1	I	J	4.3831
2	V	J	4.1958
3	I	J	3.2836
4	V	J	0.8652
5	K	J	-1.5531
6	G	J	-2.1485
7	H	J	-2.2053
8	E	J	-2.8546
1	I	K	4.1154
2	V	K	3.9753
3	I	K	2.3262
4	V	K	0.0000
5	K	K	-2.1681
6	G	K	-2.0391
7	H	K	-2.5563
8	E	K	-1.9234
9	I	K	0.0850
10	V	K	0.0852
11	I	K	-0.8083
12	V	K	-0.2606
13	K	K	-3.1372
14	G	K	-3.3146
15	H	K	-3.4337
16	E	K	-4.0842