Project name: rank_18

Chain sequence(s)	B: SMSLEEKVIEKHRSYFENYARIHGGYKEGDKLEIYIEKGPWTDEKNKTQYYFVMIFVGDKHVLMSWWVPIE
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                                          (00:01:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)

• Minimal score value: -3.6413
• Maximal score value: 1.2123
• Average score: -1.043
• Total score value: -74.0537

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	S	B	0.0341
2	M	B	0.0739
3	S	B	-0.2600
4	L	B	-0.1177
5	E	B	-1.3461
6	E	B	-2.1983
7	K	B	-2.5221
8	V	B	0.0000
9	I	B	-2.2152
10	E	B	-3.5784
11	K	B	-3.3683
12	H	B	-2.2704
13	R	B	-2.3747
14	S	B	-1.0990
15	Y	B	-0.2714
16	F	B	0.0000
17	E	B	-1.2941
18	N	B	-0.7726
19	Y	B	0.0735
20	A	B	0.0000
21	R	B	-1.2455
22	I	B	0.6341
23	H	B	-0.4418
24	G	B	-0.9568
25	G	B	-1.0601
26	Y	B	0.0000
27	K	B	-3.4817
28	E	B	-3.6413
29	G	B	-2.7088
30	D	B	-3.2213
31	K	B	-2.9979
32	L	B	-1.9709
33	E	B	-1.3055
34	I	B	0.0314
35	Y	B	0.8493
36	I	B	-0.1028
37	E	B	-1.7515
38	K	B	-2.0982
39	G	B	0.0000
40	P	B	-0.1264
41	W	B	0.6386
42	T	B	-0.4334
43	D	B	-1.9470
44	E	B	-3.4235
45	K	B	-3.6366
46	N	B	-3.2023
47	K	B	-2.8726
48	T	B	-1.1195
49	Q	B	0.0000
50	Y	B	0.2196
51	Y	B	0.0000
52	F	B	0.2992
53	V	B	0.0000
54	M	B	0.8499
55	I	B	0.0000
56	F	B	-0.5578
57	V	B	-2.0198
58	G	B	-2.2584
59	D	B	-2.6027
60	K	B	-2.5405
61	H	B	-1.4378
62	V	B	0.0000
63	L	B	1.2123
64	M	B	0.0000
65	S	B	0.5139
66	W	B	0.6109
67	W	B	0.9400
68	V	B	0.0000
69	P	B	-0.3273
70	I	B	-0.0431
71	E	B	-1.8133