Project name: fold_rfinf_36_22024_10_30_14_46_model_0

Chain sequence(s)	B: AAAAAAAAQAKKVLDAQKAAKAEEAANKAAAEAAAKLAALLAE
Selected Chain(s)	B
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 B 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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:44)

• Minimal score value: -4.5672
• Maximal score value: 1.9183
• Average score: -1.5738
• Total score value: -67.6748

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	A	B	0.1457
2	A	B	0.1699
3	A	B	0.1875
4	A	B	0.0685
5	A	B	-0.0263
6	A	B	-0.3654
7	A	B	-0.7325
8	A	B	-1.1611
9	Q	B	-1.9990
10	A	B	-1.5990
11	K	B	-2.9751
12	K	B	-3.0577
13	V	B	-1.4739
14	L	B	-1.8131
15	D	B	-2.9757
16	A	B	-2.1938
17	Q	B	-2.9073
18	K	B	-3.6803
19	A	B	-2.7407
20	A	B	-3.0205
21	K	B	-4.2187
22	A	B	-3.3831
23	E	B	-4.1939
24	E	B	-4.5672
25	A	B	-3.2716
26	A	B	-2.7893
27	N	B	-3.7281
28	K	B	-3.7472
29	A	B	-2.4154
30	A	B	-1.9318
31	A	B	-2.0304
32	E	B	-2.6227
33	A	B	-1.1829
34	A	B	-0.4080
35	A	B	-0.6198
36	K	B	-0.7253
37	L	B	1.3043
38	A	B	0.9078
39	A	B	0.5533
40	L	B	1.7933
41	L	B	1.9183
42	A	B	0.4664
43	E	B	-0.6330