Project name: CM188-215

Chain sequence(s)	A: GNIFSG; C: GNIFSG; B: GNIFSG; E: GNIFSG; D: GNIFSG; G: GNIFSG; F: GNIFSG; I: GNIFSG; H: GNIFSG; J: GNIFSG
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]                                                (00:00:04)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:04)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:04)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:04)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)

• Minimal score value: -1.502
• Maximal score value: 2.3819
• Average score: -0.125
• Total score value: -7.5018

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	G	C	-1.1462
2	N	C	-0.5070
3	I	C	0.0000
4	F	C	1.4000
5	S	C	0.0000
6	G	C	-0.5311
1	G	E	-1.2803
2	N	E	-1.0100
3	I	E	0.0000
4	F	E	0.8573
5	S	E	0.0000
6	G	E	-0.7674
1	G	D	-1.3916
2	N	D	-0.8477
3	I	D	0.0000
4	F	D	0.8385
5	S	D	0.0000
6	G	D	-0.5763
1	G	A	-0.9827
2	N	A	-0.5466
3	I	A	1.8569
4	F	A	2.3819
5	S	A	0.7474
6	G	A	-0.2938
1	G	B	-1.2090
2	N	B	-0.9807
3	I	B	1.0377
4	F	B	1.7272
5	S	B	0.4396
6	G	B	-0.3958
1	G	G	-1.5020
2	N	G	-0.9309
3	I	G	0.0000
4	F	G	0.8502
5	S	G	0.0629
6	G	G	-0.5361
1	G	F	-1.2687
2	N	F	-1.0098
3	I	F	0.0000
4	F	F	0.8118
5	S	F	-0.1542
6	G	F	-0.7921
1	G	I	-1.2939
2	N	I	-1.2903
3	I	I	0.0000
4	F	I	1.6398
5	S	I	0.2916
6	G	I	-0.3482
1	G	H	-1.2736
2	N	H	-0.7950
3	I	H	0.0000
4	F	H	0.9751
5	S	H	0.0396
6	G	H	-0.5484
1	G	J	-1.1552
2	N	J	-1.0266
3	I	J	0.9695
4	F	J	1.8449
5	S	J	0.4249
6	G	J	-0.3074