Project name: 33a5b9fbdae65bc

Chain sequence(s)	A: PVQNRCIGVFGLSVYTTQQKIRDIFSRFGPIERIQVVIDAQTGRSRGFCFIYYDDIADAKAAKDACSGMEIDDRRIRVDYSTTQRPHTP
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -4.467
• Maximal score value: 1.1479
• Average score: -1.2162
• Total score value: -108.2381

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	P	A	0.1756
2	V	A	1.0162
3	Q	A	-0.7352
4	N	A	-1.0581
5	R	A	-2.2156
6	C	A	0.0000
7	I	A	0.0000
8	G	A	0.0000
9	V	A	0.0000
10	F	A	-0.7764
11	G	A	-1.5151
12	L	A	0.0000
13	S	A	-0.6414
14	V	A	0.6009
15	Y	A	1.1479
16	T	A	0.0000
17	T	A	-0.7911
18	Q	A	-2.1504
19	Q	A	-2.7280
20	K	A	-2.5787
21	I	A	0.0000
22	R	A	-2.9467
23	D	A	-3.1617
24	I	A	-1.6522
25	F	A	0.0000
26	S	A	-1.8417
27	R	A	-2.1535
28	F	A	-0.6992
29	G	A	-1.2680
30	P	A	-1.9892
31	I	A	0.0000
32	E	A	-3.3066
33	R	A	-2.7195
34	I	A	-1.6262
35	Q	A	-0.9294
36	V	A	-0.4176
37	V	A	0.2006
38	I	A	0.2175
39	D	A	-0.9383
40	A	A	-0.8202
41	Q	A	-1.4569
42	T	A	-1.4436
43	G	A	-1.4736
44	R	A	-1.7836
45	S	A	-0.5769
46	R	A	-1.4868
47	G	A	-0.3580
48	F	A	0.1577
49	C	A	0.0000
50	F	A	0.0398
51	I	A	0.0000
52	Y	A	-1.7439
53	Y	A	0.0000
54	D	A	-3.2987
55	D	A	-2.5472
56	I	A	-1.0173
57	A	A	-0.9106
58	D	A	-1.5359
59	A	A	0.0000
60	K	A	-1.9557
61	A	A	-1.1184
62	A	A	0.0000
63	K	A	-1.8822
64	D	A	-2.3087
65	A	A	-0.9716
66	C	A	0.0000
67	S	A	-1.8881
68	G	A	-2.1028
69	M	A	-2.0414
70	E	A	-3.9849
71	I	A	0.0000
72	D	A	-2.7222
73	D	A	-3.8877
74	R	A	-4.4670
75	R	A	-4.3011
76	I	A	0.0000
77	R	A	-2.6058
78	V	A	0.0000
79	D	A	-1.4731
80	Y	A	0.0000
81	S	A	0.0000
82	T	A	-0.6148
83	T	A	-1.3020
84	Q	A	-2.3727
85	R	A	-2.8962
86	P	A	-2.0280
87	H	A	-1.9377
88	T	A	-1.0399
89	P	A	-0.5993