Project name: IVKGH20

Chain sequence(s)	A: IVKGH; C: IVKGH; B: IVKGH; E: IVKGH; D: IVKGH; G: IVKGH; F: IVKGH; I: IVKGH; H: IVKGH; K: IVKGH; J: IVKGH; M: IVKGH; L: IVKGH; O: IVKGH; N: IVKGH; Q: IVKGH; P: IVKGH; S: IVKGH; R: IVKGH; T: IVKGH
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                                          (00:05:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:24)

• Minimal score value: -2.8692
• Maximal score value: 2.7148
• Average score: -0.4995
• Total score value: -49.9452

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	2.7148
2	V	A	1.2483
3	K	A	-1.5020
4	G	A	-1.7640
5	H	A	-2.1752
1	I	B	2.1987
2	V	B	0.7511
3	K	B	-1.5801
4	G	B	-2.0841
5	H	B	-2.8692
1	I	C	2.2263
2	V	C	0.5306
3	K	C	-1.8169
4	G	C	-1.8057
5	H	C	-2.0667
1	I	D	2.3510
2	V	D	1.3591
3	K	D	-1.4038
4	G	D	-1.7601
5	H	D	-2.1359
1	I	E	1.6756
2	V	E	1.2624
3	K	E	-1.2351
4	G	E	-1.4359
5	H	E	-1.9158
1	I	F	1.8952
2	V	F	0.4676
3	K	F	-1.8916
4	G	F	-2.2497
5	H	F	-1.9617
1	I	G	2.0373
2	V	G	0.0000
3	K	G	-1.2563
4	G	G	-1.5099
5	H	G	-2.3082
1	I	H	2.0021
2	V	H	0.0896
3	K	H	-1.7157
4	G	H	-1.8202
5	H	H	-1.6710
1	I	I	2.0170
2	V	I	0.7753
3	K	I	-1.6270
4	G	I	-1.4670
5	H	I	-1.5486
1	I	J	1.8722
2	V	J	0.3469
3	K	J	-1.6550
4	G	J	-1.7590
5	H	J	-1.4927
1	I	K	2.3183
2	V	K	0.7346
3	K	K	-1.9097
4	G	K	-1.8040
5	H	K	-2.1247
1	I	L	2.0090
2	V	L	0.4035
3	K	L	-1.9057
4	G	L	-2.0885
5	H	L	-2.1486
1	I	M	2.3265
2	V	M	1.0635
3	K	M	-1.4650
4	G	M	-1.7964
5	H	M	-2.1766
1	I	N	1.5759
2	V	N	-0.0211
3	K	N	-2.1615
4	G	N	-1.9758
5	H	N	-1.8819
1	I	O	2.3433
2	V	O	1.1990
3	K	O	-1.2777
4	G	O	-1.5006
5	H	O	-1.9803
1	I	P	2.0583
2	V	P	0.5294
3	K	P	-1.0961
4	G	P	-1.6235
5	H	P	-2.0549
1	I	Q	2.2946
2	V	Q	0.8398
3	K	Q	-1.1370
4	G	Q	-1.9334
5	H	Q	-2.1161
1	I	R	2.1311
2	V	R	0.7767
3	K	R	-1.8845
4	G	R	-2.0559
5	H	R	-1.7810
1	I	S	2.5918
2	V	S	1.1189
3	K	S	-1.4791
4	G	S	-1.3118
5	H	S	-1.6248
1	I	T	2.6114
2	V	T	1.4499
3	K	T	-1.5953
4	G	T	-2.0212
5	H	T	-2.7250