Project name: query_structure

Chain sequence(s)	A: MKAILVFALIAISIISVNAGMMTGGSVEQDASQKEYSDKAWKAVKGINDQASNNGPYYYAPIKVTKASTQVVAGISTKLEVLVGESNCKKGELQAHEITSSNCQIKDGGSRALYQVTIWEKPWENFEQFTVEKIRDVTADEQF
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                                          (00:01:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:52)

• Minimal score value: -3.67
• Maximal score value: 4.1692
• Average score: -0.5744
• Total score value: -82.1325

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	M	A	0.4749
2	K	A	-0.3849
3	A	A	1.0394
4	I	A	3.0914
5	L	A	3.6768
6	V	A	4.1692
7	F	A	4.1534
8	A	A	2.9623
9	L	A	3.5914
10	I	A	3.5643
11	A	A	2.6436
12	I	A	3.4396
13	S	A	2.4495
14	I	A	3.5583
15	I	A	3.3993
16	S	A	1.6646
17	V	A	1.8112
18	N	A	-0.1812
19	A	A	0.2621
20	G	A	0.1893
21	M	A	1.1654
22	M	A	1.3392
23	T	A	0.8053
24	G	A	0.9896
25	G	A	0.5074
26	S	A	-0.1373
27	V	A	-0.3176
28	E	A	-2.6946
29	Q	A	-2.6916
30	D	A	-3.1707
31	A	A	-2.8352
32	S	A	-2.2450
33	Q	A	-2.9575
34	K	A	-3.6700
35	E	A	-3.5636
36	Y	A	-3.1295
37	S	A	-2.5420
38	D	A	-3.2834
39	K	A	-2.0962
40	A	A	0.0000
41	W	A	-1.2938
42	K	A	-1.7936
43	A	A	0.0000
44	V	A	0.0000
45	K	A	-2.0757
46	G	A	-1.7358
47	I	A	0.0000
48	N	A	0.0000
49	D	A	-2.8923
50	Q	A	-2.4545
51	A	A	-1.4433
52	S	A	-1.5647
53	N	A	0.0000
54	N	A	-1.7014
55	G	A	-1.0396
56	P	A	-1.1594
57	Y	A	-1.3346
58	Y	A	0.0000
59	Y	A	-0.3642
60	A	A	0.0000
61	P	A	-0.2011
62	I	A	0.3880
63	K	A	-0.5956
64	V	A	0.0000
65	T	A	-1.0591
66	K	A	-2.7671
67	A	A	0.0000
68	S	A	-1.9610
69	T	A	-0.2740
70	Q	A	0.4644
71	V	A	2.1471
72	V	A	1.7796
73	A	A	0.9591
74	G	A	0.0000
75	I	A	0.9783
76	S	A	0.0000
77	T	A	0.0000
78	K	A	-1.4274
79	L	A	0.0000
80	E	A	-1.7007
81	V	A	0.0000
82	L	A	0.0000
83	V	A	0.0000
84	G	A	0.0000
85	E	A	-1.0399
86	S	A	0.0000
87	N	A	-1.8944
88	C	A	0.0000
89	K	A	-2.4480
90	K	A	-2.1776
91	G	A	-2.0260
92	E	A	-2.7875
93	L	A	-2.3348
94	Q	A	-2.9353
95	A	A	0.0000
96	H	A	-2.7173
97	E	A	-2.9317
98	I	A	0.0000
99	T	A	-1.2544
100	S	A	-0.6825
101	S	A	-0.8231
102	N	A	-1.2609
103	C	A	0.0000
104	Q	A	-1.4386
105	I	A	-0.7901
106	K	A	-2.0237
107	D	A	-2.5055
108	G	A	-1.5883
109	G	A	-1.2927
110	S	A	-1.0689
111	R	A	-1.0221
112	A	A	0.0000
113	L	A	0.0000
114	Y	A	0.0000
115	Q	A	-1.5645
116	V	A	0.0000
117	T	A	-0.6790
118	I	A	0.0000
119	W	A	-0.1804
120	E	A	-0.7971
121	K	A	-0.9201
122	P	A	-0.8737
123	W	A	-0.0982
124	E	A	-1.8646
125	N	A	-1.9337
126	F	A	-1.3748
127	E	A	-2.2385
128	Q	A	-1.1950
129	F	A	-0.5608
130	T	A	-0.5123
131	V	A	-1.2512
132	E	A	-2.4795
133	K	A	-2.2519
134	I	A	-0.8201
135	R	A	-1.8419
136	D	A	-2.2979
137	V	A	0.0000
138	T	A	-1.5875
139	A	A	-1.7980
140	D	A	-2.3496
141	E	A	-1.7130
142	Q	A	-1.2505
143	F	A	0.4198