Project name: IVIVKGH20

Chain sequence(s)	A: IVIVKGH; C: IVIVKGH; B: IVIVKGH; E: IVIVKGH; D: IVIVKGH; G: IVIVKGH; F: IVIVKGH; I: IVIVKGH; H: IVIVKGH; K: IVIVKGH; J: IVIVKGH; M: IVIVKGH; L: IVIVKGH; O: IVIVKGH; N: IVIVKGH; Q: IVIVKGH; P: IVIVKGH; S: IVIVKGH; R: IVIVKGH; T: IVIVKGH
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]                                                (00:00:00)
[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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:15)

• Minimal score value: -2.1937
• Maximal score value: 5.6835
• Average score: 1.0917
• Total score value: 152.8346

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	5.3550
2	V	A	5.2169
3	I	A	4.3635
4	V	A	2.5820
5	K	A	-0.4259
6	G	A	-1.0496
7	H	A	-1.4223
1	I	B	5.0064
2	V	B	5.6835
3	I	B	4.5099
4	V	B	3.3221
5	K	B	-0.2789
6	G	B	-1.0555
7	H	B	-1.4442
1	I	C	4.2775
2	V	C	4.1743
3	I	C	4.1021
4	V	C	2.3643
5	K	C	-0.6124
6	G	C	-0.9889
7	H	C	-1.4220
1	I	D	3.4337
2	V	D	3.4714
3	I	D	2.4357
4	V	D	2.0981
5	K	D	-0.1557
6	G	D	-1.3114
7	H	D	-2.1937
1	I	E	3.4175
2	V	E	2.5425
3	I	E	1.9589
4	V	E	0.6168
5	K	E	-1.8628
6	G	E	-1.5033
7	H	E	-1.7507
1	I	F	3.3574
2	V	F	2.9466
3	I	F	2.1215
4	V	F	1.1117
5	K	F	-1.4563
6	G	F	-1.7998
7	H	F	-1.8886
1	I	G	3.3154
2	V	G	3.4903
3	I	G	2.9613
4	V	G	2.1839
5	K	G	-1.0697
6	G	G	-1.3071
7	H	G	-1.4265
1	I	H	3.4310
2	V	H	3.8629
3	I	H	3.9283
4	V	H	2.4369
5	K	H	-0.7003
6	G	H	-1.0028
7	H	H	-1.4304
1	I	I	4.0296
2	V	I	3.7009
3	I	I	3.7040
4	V	I	2.6683
5	K	I	-0.7482
6	G	I	-1.0281
7	H	I	-1.4257
1	I	J	3.5137
2	V	J	3.7760
3	I	J	3.4765
4	V	J	2.6395
5	K	J	-0.4846
6	G	J	-1.1341
7	H	J	-1.4233
1	I	K	3.5644
2	V	K	3.6434
3	I	K	2.3020
4	V	K	1.8273
5	K	K	-1.2997
6	G	K	-1.4824
7	H	K	-1.6024
1	I	L	3.5487
2	V	L	0.0000
3	I	L	2.2299
4	V	L	0.8465
5	K	L	-1.8125
6	G	L	-1.8501
7	H	L	-1.9744
1	I	M	3.6686
2	V	M	0.0000
3	I	M	2.1461
4	V	M	0.7953
5	K	M	-1.9848
6	G	M	-1.9970
7	H	M	-1.8243
1	I	N	0.0000
2	V	N	3.2220
3	I	N	1.7680
4	V	N	1.2350
5	K	N	-1.3828
6	G	N	-1.8541
7	H	N	-1.9995
1	I	O	0.0000
2	V	O	2.5740
3	I	O	1.8692
4	V	O	0.8174
5	K	O	-1.6373
6	G	O	-1.3820
7	H	O	-1.6502
1	I	P	3.4758
2	V	P	0.0000
3	I	P	2.2244
4	V	P	0.7667
5	K	P	-1.4520
6	G	P	-1.7148
7	H	P	-1.9541
1	I	Q	3.2538
2	V	Q	3.3332
3	I	Q	1.7614
4	V	Q	1.0746
5	K	Q	-1.9801
6	G	Q	-1.6850
7	H	Q	-1.8259
1	I	R	5.1659
2	V	R	5.4931
3	I	R	4.9957
4	V	R	3.3238
5	K	R	-0.8667
6	G	R	-1.4565
7	H	R	-1.6720
1	I	S	5.3634
2	V	S	5.4933
3	I	S	4.4810
4	V	S	2.7321
5	K	S	-1.6730
6	G	S	-1.6660
7	H	S	-1.8620
1	I	T	4.7564
2	V	T	4.3830
3	I	T	3.7767
4	V	T	2.1407
5	K	T	-0.9134
6	G	T	-1.1443
7	H	T	-1.4039