Project name: CM335-343

Chain sequence(s)	A: PHYTVN; C: PHYTVN; B: PHYTVN; E: PHYTVN; D: PHYTVN; G: PHYTVN; F: PHYTVN; I: PHYTVN; H: PHYTVN; J: PHYTVN
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -2.0128
• Maximal score value: 1.9236
• Average score: -0.2266
• Total score value: -13.5982

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	P	E	-0.2429
2	H	E	0.0000
3	Y	E	1.3147
4	T	E	0.0000
5	V	E	0.9346
6	N	E	-0.6427
1	P	C	-0.4926
2	H	C	-0.1280
3	Y	C	1.1242
4	T	C	0.0000
5	V	C	1.1989
6	N	C	-0.5196
1	P	A	-0.5077
2	H	A	-0.3300
3	Y	A	0.8862
4	T	A	0.9832
5	V	A	1.2273
6	N	A	-0.6125
1	P	B	-0.8549
2	H	B	-1.0112
3	Y	B	0.0392
4	T	B	-0.0581
5	V	B	-0.0144
6	N	B	-1.3208
1	P	D	-1.1901
2	H	D	-1.4679
3	Y	D	0.0000
4	T	D	-0.5117
5	V	D	-0.4673
6	N	D	-1.7393
1	P	I	-0.0253
2	H	I	0.5362
3	Y	I	1.9236
4	T	I	1.3738
5	V	I	1.3036
6	N	I	-0.6497
1	P	G	-0.4325
2	H	G	0.0000
3	Y	G	1.3704
4	T	G	0.0000
5	V	G	1.8560
6	N	G	0.3345
1	P	F	-1.2515
2	H	F	-1.6299
3	Y	F	0.0000
4	T	F	-0.7422
5	V	F	0.0000
6	N	F	-2.0128
1	P	H	-1.0829
2	H	H	-1.2541
3	Y	H	-0.4376
4	T	H	-0.6192
5	V	H	-0.8323
6	N	H	-1.9685
1	P	J	-1.0598
2	H	J	-1.5134
3	Y	J	-0.4646
4	T	J	-0.3554
5	V	J	-0.2025
6	N	J	-1.3587