Project name: CM335-343(2)

Chain sequence(s)	A: HYTVNS; C: HYTVNS; B: HYTVNS; E: HYTVNS; D: HYTVNS; G: HYTVNS; F: HYTVNS; I: HYTVNS; H: HYTVNS; J: HYTVNS
Selected Chain(s)	A,C,B,E,D,G,F,I,H,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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)

• Minimal score value: -1.4967
• Maximal score value: 1.4583
• Average score: -0.3736
• Total score value: -22.4161

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	H	E	-1.3894
2	Y	E	-0.6220
3	T	E	-0.7338
4	V	E	0.0000
5	N	E	-1.2814
6	S	E	-0.9419
1	H	C	-1.4437
2	Y	C	-0.8516
3	T	C	-0.7449
4	V	C	0.0000
5	N	C	-0.8277
6	S	C	-0.6244
1	H	A	-0.9549
2	Y	A	0.0229
3	T	A	-0.0477
4	V	A	0.1728
5	N	A	-1.1898
6	S	A	-0.8958
1	H	B	-0.5527
2	Y	B	0.8607
3	T	B	0.4286
4	V	B	0.3841
5	N	B	-0.3528
6	S	B	-0.5135
1	H	D	-1.0575
2	Y	D	-0.1289
3	T	D	0.0000
4	V	D	0.0000
5	N	D	-0.0201
6	S	D	-0.1438
1	H	I	-1.0617
2	Y	I	-0.3063
3	T	I	-0.4573
4	V	I	-0.4623
5	N	I	-1.4967
6	S	I	-1.0069
1	H	G	-1.4409
2	Y	G	-0.9474
3	T	G	-0.9614
4	V	G	0.0000
5	N	G	-1.0301
6	S	G	-0.8424
1	H	F	-1.0525
2	Y	F	0.2295
3	T	F	0.0000
4	V	F	0.0000
5	N	F	0.0000
6	S	F	-0.4306
1	H	H	-1.0267
2	Y	H	0.1146
3	T	H	0.1797
4	V	H	0.0000
5	N	H	0.2175
6	S	H	0.0284
1	H	J	-0.5477
2	Y	J	1.0947
3	T	J	0.9162
4	V	J	1.4583
5	N	J	0.1147
6	S	J	-0.2496