Project name: Cro protein

Chain sequence(s)	A: MQTLSERLKKRRIALKMTQTELATKAGVKQQSIQLIEAGVTKRPRFLFEIAMALNCDPVWLQYGT
Selected Chain(s)	A
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 A 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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -2.84
• Maximal score value: 1.6814
• Average score: -0.5185
• Total score value: -33.7042

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	M	A	-0.2963
0	Q	A	-0.7675
1	T	A	-0.6909
2	L	A	0.0000
3	S	A	-0.7619
4	E	A	-1.1595
5	R	A	0.0000
6	L	A	0.0000
7	K	A	-1.0034
8	K	A	-1.2853
9	R	A	-0.9405
10	R	A	0.0000
11	I	A	0.4217
12	A	A	-0.0992
13	L	A	-0.3622
14	K	A	-1.1186
15	M	A	-0.5074
16	T	A	-0.5158
17	Q	A	-1.0360
18	T	A	-1.4501
19	E	A	-1.6579
20	L	A	0.0000
21	A	A	0.0000
22	T	A	-1.7296
23	K	A	-2.0763
24	A	A	-1.1515
25	G	A	-1.4667
26	V	A	-1.6239
27	K	A	-2.5609
28	Q	A	-2.3832
29	Q	A	-2.2170
30	S	A	-1.4039
31	I	A	0.0000
32	Q	A	-1.0885
33	L	A	0.1618
34	I	A	0.0000
35	E	A	0.0000
36	A	A	0.1773
37	G	A	0.1009
38	V	A	1.1221
39	T	A	-0.7502
40	K	A	-2.3125
41	R	A	-2.8400
42	P	A	0.0000
43	R	A	-1.8687
44	F	A	0.0451
45	L	A	0.0000
46	F	A	1.6748
47	E	A	0.0624
48	I	A	0.0000
49	A	A	0.0000
50	M	A	-0.1420
51	A	A	-0.6244
52	L	A	0.0000
53	N	A	-1.4618
54	C	A	-0.7975
55	D	A	-1.0106
56	P	A	0.5472
57	V	A	1.6814
58	W	A	0.6890
59	L	A	0.0000
60	Q	A	0.4673
61	Y	A	1.4619
62	G	A	0.4342
63	T	A	0.4104