Project name: 11_rank

Chain sequence(s)	B: LMEEIKELNKEQHELNKKYIQLFFESVEVRKGPDTEENKKKEGQLSWEMFQVQQKYRETHKKVKELQEEWRKKS
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:18)

• Minimal score value: -5.0992
• Maximal score value: 1.1727
• Average score: -2.5336
• Total score value: -187.4886

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	L	B	-1.5577
2	M	B	-1.6462
3	E	B	-3.2540
4	E	B	-3.5381
5	I	B	0.0000
6	K	B	-4.1504
7	E	B	-4.4325
8	L	B	-3.2083
9	N	B	-3.5734
10	K	B	-4.3540
11	E	B	-3.6439
12	Q	B	0.0000
13	H	B	-3.8692
14	E	B	-4.1482
15	L	B	-3.2708
16	N	B	-3.2770
17	K	B	-3.3901
18	K	B	-2.8482
19	Y	B	-1.0057
20	I	B	0.0070
21	Q	B	-0.9628
22	L	B	0.0000
23	F	B	0.9160
24	F	B	1.1727
25	E	B	-1.0691
26	S	B	0.0000
27	V	B	-1.1860
28	E	B	-2.6012
29	V	B	-3.2991
30	R	B	-3.7368
31	K	B	-3.5346
32	G	B	-2.4998
33	P	B	-2.5002
34	D	B	-3.4016
35	T	B	-3.1475
36	E	B	-4.3899
37	E	B	-4.4814
38	N	B	-4.8318
39	K	B	-5.0992
40	K	B	-4.6271
41	K	B	-3.8851
42	E	B	-3.5420
43	G	B	-2.2324
44	Q	B	-1.9979
45	L	B	-0.8822
46	S	B	-0.3453
47	W	B	0.3377
48	E	B	-0.3020
49	M	B	0.2021
50	F	B	0.5942
51	Q	B	-0.5397
52	V	B	-1.0827
53	Q	B	-1.1912
54	Q	B	-1.6598
55	K	B	-2.4350
56	Y	B	-2.3891
57	R	B	-2.8026
58	E	B	-3.5871
59	T	B	0.0000
60	H	B	-3.2984
61	K	B	-4.3548
62	K	B	-3.9521
63	V	B	0.0000
64	K	B	-4.1306
65	E	B	-4.3987
66	L	B	-3.7244
67	Q	B	-4.0774
68	E	B	-4.8798
69	E	B	-4.3241
70	W	B	-3.2765
71	R	B	-4.2198
72	K	B	-4.4157
73	K	B	-3.7911
74	S	B	-2.4650