Project name: 891c372cf63e8d6

Chain sequence(s)	A: YPNVDLSNMGCEECTLKKNNVFSRDRPIYQCMGCCFSRAFPTPLKAMKTMTIPKNITSEATCCVAKHSYETEVAGIRVRNHTDCHCSTCYFHKI
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]                                                (00:00:00)
[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 A 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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:06)

• Minimal score value: -2.9683
• Maximal score value: 1.9831
• Average score: -0.6938
• Total score value: -65.2196

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	Y	A	0.9526
2	P	A	-0.3114
3	N	A	-1.0402
4	V	A	-0.3710
5	D	A	-1.4094
6	L	A	0.5060
7	S	A	-0.2322
8	N	A	-0.7706
9	M	A	0.3922
10	G	A	-0.3995
11	C	A	-0.5364
12	E	A	-2.2708
13	E	A	-2.3886
14	C	A	-1.0476
15	T	A	-0.9873
16	L	A	-0.6438
17	K	A	-1.4400
18	K	A	-2.0609
19	N	A	-1.3116
20	N	A	-1.2894
21	V	A	0.7450
22	F	A	-0.3039
23	S	A	-1.6419
24	R	A	-2.7841
25	D	A	-2.9683
26	R	A	-2.0760
27	P	A	-1.7073
28	I	A	0.0000
29	Y	A	-1.2552
30	Q	A	-1.2861
31	C	A	0.0000
32	M	A	-0.4705
33	G	A	-0.9434
34	C	A	-0.1916
35	C	A	0.8588
36	F	A	1.4367
37	S	A	-0.5816
38	R	A	-2.0364
39	A	A	-0.8884
40	F	A	-0.0984
41	P	A	0.1827
42	T	A	0.0000
43	P	A	-0.1938
44	L	A	0.1351
45	K	A	-1.4105
46	A	A	-1.0692
47	M	A	-0.6634
48	K	A	-1.5071
49	T	A	-0.6024
50	M	A	-0.0617
51	T	A	0.5539
52	I	A	1.3869
53	P	A	-0.1673
54	K	A	-1.3498
55	N	A	-1.1291
56	I	A	0.4937
57	T	A	-0.5872
58	S	A	-1.1726
59	E	A	-2.1720
60	A	A	-0.8282
61	T	A	0.3596
62	C	A	1.1241
63	C	A	0.3677
64	V	A	-0.1831
65	A	A	-1.3871
66	K	A	-2.3899
67	H	A	-2.1866
68	S	A	-1.5387
69	Y	A	-0.7140
70	E	A	-2.7784
71	T	A	-2.2758
72	E	A	-2.6650
73	V	A	0.0000
74	A	A	-0.7486
75	G	A	-0.5880
76	I	A	0.0500
77	R	A	-2.3082
78	V	A	-1.6991
79	R	A	-2.4633
80	N	A	0.0000
81	H	A	-1.5892
82	T	A	-1.1808
83	D	A	-1.9459
84	C	A	-1.3193
85	H	A	-0.8336
86	C	A	0.2894
87	S	A	0.3463
88	T	A	0.2891
89	C	A	1.1355
90	Y	A	1.8807
91	F	A	1.9831
92	H	A	0.3142
93	K	A	-0.3877
94	I	A	0.8375