Project name: query_structure

Chain sequence(s)	A: MAGPLRAPLLLLAILAVALAVSPAAGASPGKPPRLVGGPMDASVEEEGVRRALDFAVSEYNKASNDMYHSRALQVVRARKQIVAGVNYFLDVELGRTTCTKTQPNLDNCPFHEQPHLKRKAFCSFQIYTVPWQGTMTLSKSTCQDA
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                                          (00:01:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:39)

• Minimal score value: -4.0741
• Maximal score value: 5.0725
• Average score: -0.3215
• Total score value: -46.9336

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	0.9284
2	A	A	0.5147
3	G	A	-0.1350
4	P	A	-0.1761
5	L	A	0.7532
6	R	A	-0.4350
7	A	A	0.7009
8	P	A	1.4659
9	L	A	2.7092
10	L	A	3.2653
11	L	A	3.9640
12	L	A	4.4466
13	A	A	4.0292
14	I	A	5.0725
15	L	A	4.7161
16	A	A	3.7976
17	V	A	4.1596
18	A	A	3.4408
19	L	A	3.3127
20	A	A	2.4046
21	V	A	2.5519
22	S	A	1.2421
23	P	A	0.3164
24	A	A	0.0298
25	A	A	-0.2783
26	G	A	-0.5426
27	A	A	-0.4162
28	S	A	-0.8547
29	P	A	-1.1331
30	G	A	-1.5402
31	K	A	-2.5186
32	P	A	-1.6326
33	P	A	-1.1467
34	R	A	-1.1497
35	L	A	1.3230
36	V	A	2.0708
37	G	A	1.4227
38	G	A	0.7809
39	P	A	-0.1842
40	M	A	-0.8256
41	D	A	-2.1496
42	A	A	-1.5221
43	S	A	-1.5146
44	V	A	-1.2305
45	E	A	-2.5429
46	E	A	-2.7409
47	E	A	-3.5255
48	G	A	-2.6845
49	V	A	0.0000
50	R	A	-4.0741
51	R	A	-3.7406
52	A	A	0.0000
53	L	A	-1.8901
54	D	A	-2.7243
55	F	A	-1.2018
56	A	A	0.0000
57	V	A	-0.9368
58	S	A	-1.0165
59	E	A	-1.1234
60	Y	A	-0.8906
61	N	A	0.0000
62	K	A	-2.1696
63	A	A	-1.2163
64	S	A	-1.1291
65	N	A	-1.4945
66	D	A	-0.7252
67	M	A	0.4154
68	Y	A	-0.0215
69	H	A	-0.5928
70	S	A	0.0000
71	R	A	-1.0172
72	A	A	-0.4207
73	L	A	0.2633
74	Q	A	-0.2942
75	V	A	0.4665
76	V	A	0.9573
77	R	A	-0.8495
78	A	A	0.0000
79	R	A	-1.6071
80	K	A	-0.5505
81	Q	A	0.6700
82	I	A	2.3661
83	V	A	1.8772
84	A	A	0.9959
85	G	A	0.0000
86	V	A	1.0851
87	N	A	0.4920
88	Y	A	0.0000
89	F	A	-0.7340
90	L	A	0.0000
91	D	A	0.0000
92	V	A	0.0000
93	E	A	-0.2677
94	L	A	0.0000
95	G	A	0.0000
96	R	A	-1.0991
97	T	A	0.0000
98	T	A	-0.2316
99	C	A	0.0000
100	T	A	-0.4310
101	K	A	-1.1695
102	T	A	-0.9957
103	Q	A	-1.7460
104	P	A	-1.6876
105	N	A	-2.3050
106	L	A	-2.0721
107	D	A	-2.7628
108	N	A	-2.3054
109	C	A	-1.3917
110	P	A	-0.7580
111	F	A	-0.5952
112	H	A	-1.8331
113	E	A	-2.9567
114	Q	A	-2.7444
115	P	A	-2.3054
116	H	A	-2.1551
117	L	A	-1.9907
118	K	A	-3.2317
119	R	A	-2.8263
120	K	A	-2.1012
121	A	A	0.0000
122	F	A	-0.0269
123	C	A	0.0000
124	S	A	-0.3340
125	F	A	0.0000
126	Q	A	-0.7822
127	I	A	0.0000
128	Y	A	0.4351
129	T	A	0.0000
130	V	A	0.0000
131	P	A	-0.1445
132	W	A	0.3221
133	Q	A	-0.8935
134	G	A	-0.7230
135	T	A	-0.3309
136	M	A	-0.0529
137	T	A	0.0517
138	L	A	-0.2383
139	S	A	-0.8175
140	K	A	-1.6519
141	S	A	-0.9861
142	T	A	-0.5218
143	C	A	-0.4926
144	Q	A	-1.7970
145	D	A	-2.4609
146	A	A	-1.2336