Project name: query_structure

Chain sequence(s)	A: MKAIYLILTVLCGFSASTKTGGWRDKDVDDEDIRKFATLAASENSKMSNSLYFEKLVKVIEAKSQVVSGVKYNITFEIAPTECKKNGKGYDKLSECPLLESAPHQTCTAIIWTRSWLNDTQILKLKCKEGGSSC
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                                          (00:01:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:51)

• Minimal score value: -4.051
• Maximal score value: 4.3191
• Average score: -0.5961
• Total score value: -79.875

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	0.2460
2	K	A	-0.7092
3	A	A	0.9856
4	I	A	2.8591
5	Y	A	3.8520
6	L	A	3.9901
7	I	A	4.3191
8	L	A	3.8120
9	T	A	2.9028
10	V	A	3.3591
11	L	A	3.1282
12	C	A	2.3204
13	G	A	1.5086
14	F	A	2.0457
15	S	A	0.6304
16	A	A	0.1307
17	S	A	-0.5455
18	T	A	-1.3293
19	K	A	-2.1151
20	T	A	-1.0388
21	G	A	-0.4105
22	G	A	-0.9791
23	W	A	-1.2133
24	R	A	-2.9032
25	D	A	-3.6297
26	K	A	-3.4851
27	D	A	-3.5922
28	V	A	-2.6389
29	D	A	-3.5982
30	D	A	-3.5873
31	E	A	-4.0510
32	D	A	-3.6952
33	I	A	0.0000
34	R	A	-3.4473
35	K	A	-3.2400
36	F	A	0.0000
37	A	A	0.0000
38	T	A	-1.0282
39	L	A	-0.3719
40	A	A	0.0000
41	A	A	0.0000
42	S	A	-0.6017
43	E	A	-1.0667
44	N	A	-1.0167
45	S	A	0.0000
46	K	A	-1.7099
47	M	A	-0.3918
48	S	A	-0.5980
49	N	A	-1.0483
50	S	A	-0.2432
51	L	A	0.1232
52	Y	A	-0.4456
53	F	A	-0.4758
54	E	A	0.0000
55	K	A	-0.0099
56	L	A	-0.2317
57	V	A	-0.0431
58	K	A	-1.1144
59	V	A	0.0000
60	I	A	-0.1348
61	E	A	-1.6046
62	A	A	0.0000
63	K	A	-2.5244
64	S	A	-0.9810
65	Q	A	0.0528
66	V	A	1.8119
67	V	A	1.4050
68	S	A	0.5168
69	G	A	0.0000
70	V	A	0.9814
71	K	A	0.4809
72	Y	A	-0.3376
73	N	A	-0.9446
74	I	A	0.0000
75	T	A	-0.4116
76	F	A	0.0000
77	E	A	-0.8548
78	I	A	0.0000
79	A	A	0.0000
80	P	A	-0.2533
81	T	A	0.0000
82	E	A	-1.6730
83	C	A	-1.4159
84	K	A	-1.8543
85	K	A	-1.7677
86	N	A	-2.0365
87	G	A	-1.9896
88	K	A	-2.5992
89	G	A	-2.0585
90	Y	A	-1.7737
91	D	A	-2.7872
92	K	A	-2.7477
93	L	A	-1.3882
94	S	A	-1.5920
95	E	A	-2.3985
96	C	A	0.0000
97	P	A	-0.9192
98	L	A	-0.2571
99	L	A	-0.5637
100	E	A	-1.6848
101	S	A	-0.9312
102	A	A	-0.5953
103	P	A	-1.2281
104	H	A	-1.4659
105	Q	A	-1.7937
106	T	A	-1.6080
107	C	A	0.0000
108	T	A	-1.0101
109	A	A	0.0000
110	I	A	-0.3284
111	I	A	0.0000
112	W	A	0.1707
113	T	A	0.0000
114	R	A	-0.0399
115	S	A	0.1698
116	W	A	1.2802
117	L	A	1.1952
118	N	A	-0.5535
119	D	A	-0.5571
120	T	A	-0.4780
121	Q	A	-0.3874
122	I	A	0.0555
123	L	A	-0.1245
124	K	A	-1.5290
125	L	A	-1.2391
126	K	A	-2.2075
127	C	A	-1.9030
128	K	A	-3.0978
129	E	A	-3.0626
130	G	A	-2.0490
131	G	A	-1.4396
132	S	A	-0.7908
133	S	A	-0.1322
134	C	A	0.5028