Project name: query_structure

Chain sequence(s)	A: MAAGSWKATRLLLAILVALVAFSYQVKRKTFIRIEEVSALESSVKETLEYVTDEYNKKSEDLYNFRILRILKIMKQVTGHLEYHITVEMQRTTCLKTETSLCDIQKGELHKKIQCYFSVYAIPWVEVFKILKKNCTDIS
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                                          (00:02:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:21)

• Minimal score value: -3.5918
• Maximal score value: 4.7213
• Average score: -0.3082
• Total score value: -42.8394

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	0.9727
2	A	A	0.4447
3	A	A	0.0937
4	G	A	-0.4234
5	S	A	-0.2866
6	W	A	-0.0344
7	K	A	-1.2972
8	A	A	-0.2155
9	T	A	0.2061
10	R	A	-0.3415
11	L	A	1.8987
12	L	A	2.8966
13	L	A	2.9743
14	A	A	3.1771
15	I	A	4.4694
16	L	A	4.5875
17	V	A	4.7213
18	A	A	4.0449
19	L	A	4.4747
20	V	A	4.0018
21	A	A	3.1894
22	F	A	3.2920
23	S	A	1.8377
24	Y	A	0.9799
25	Q	A	-0.6434
26	V	A	-0.5091
27	K	A	-2.3296
28	R	A	-3.0521
29	K	A	-2.2288
30	T	A	-0.5372
31	F	A	1.6201
32	I	A	1.5285
33	R	A	0.0483
34	I	A	0.3406
35	E	A	-1.7376
36	E	A	-2.3861
37	V	A	-1.1329
38	S	A	-0.6547
39	A	A	-0.3841
40	L	A	0.5774
41	E	A	-1.1301
42	S	A	-1.2970
43	S	A	-1.2411
44	V	A	0.0000
45	K	A	-2.5226
46	E	A	-3.3288
47	T	A	0.0000
48	L	A	0.0000
49	E	A	-3.3043
50	Y	A	-2.2703
51	V	A	0.0000
52	T	A	-2.3316
53	D	A	-3.3774
54	E	A	-2.6207
55	Y	A	0.0000
56	N	A	0.0000
57	K	A	-3.5918
58	K	A	-3.3568
59	S	A	-2.3975
60	E	A	-2.3240
61	D	A	-0.8738
62	L	A	0.9619
63	Y	A	0.1016
64	N	A	-1.1664
65	F	A	0.0000
66	R	A	-2.4771
67	I	A	-1.1043
68	L	A	-0.4132
69	R	A	-1.1818
70	I	A	0.2495
71	L	A	0.3673
72	K	A	-1.0429
73	I	A	0.0000
74	M	A	-1.3581
75	K	A	-1.0924
76	Q	A	-0.3497
77	V	A	0.4645
78	T	A	0.6540
79	G	A	-0.0845
80	H	A	-0.2649
81	L	A	-0.2307
82	E	A	-0.0892
83	Y	A	0.0000
84	H	A	-0.6832
85	I	A	0.0000
86	T	A	-0.2829
87	V	A	0.0000
88	E	A	0.0000
89	M	A	0.0000
90	Q	A	-1.4487
91	R	A	-1.0711
92	T	A	0.0000
93	T	A	-0.3628
94	C	A	0.0000
95	L	A	0.1988
96	K	A	-1.1303
97	T	A	-0.8577
98	E	A	-1.1716
99	T	A	-0.4616
100	S	A	0.0799
101	L	A	1.0206
102	C	A	-0.1912
103	D	A	-1.6766
104	I	A	-1.3618
105	Q	A	0.0000
106	K	A	-2.5028
107	G	A	-2.0677
108	E	A	-2.1925
109	L	A	-0.9202
110	H	A	-1.7031
111	K	A	-1.6793
112	K	A	-1.4747
113	I	A	0.0000
114	Q	A	-0.7588
115	C	A	0.0000
116	Y	A	-0.6792
117	F	A	0.0000
118	S	A	0.0000
119	V	A	0.0000
120	Y	A	-0.1213
121	A	A	0.0000
122	I	A	0.8936
123	P	A	0.4303
124	W	A	1.7594
125	V	A	1.9644
126	E	A	-0.3202
127	V	A	0.9848
128	F	A	-0.1774
129	K	A	-1.3420
130	I	A	-1.0298
131	L	A	-0.8696
132	K	A	-2.2970
133	K	A	-2.1497
134	N	A	-1.9016
135	C	A	-0.9085
136	T	A	-1.0734
137	D	A	-1.8294
138	I	A	-0.6915
139	S	A	-0.9410