Project name: query_structure

Chain sequence(s)	A: LQVDIVPSQGEISVGESKFFLCQVAGWTQPFIQSWFSPNGEKLTPNQQRISVVWNDDSSSTLTIYNANIDDAGIYKCVVSLRPYWYSGTLQVEATVNVKIFQ
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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -3.2135
• Maximal score value: 1.8379
• Average score: -0.6463
• Total score value: -65.9255

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	L	A	0.0900
2	Q	A	-1.2571
3	V	A	0.0000
4	D	A	-1.3849
5	I	A	0.0000
6	V	A	0.6304
7	P	A	0.0966
8	S	A	-0.8335
9	Q	A	-1.9346
10	G	A	0.0000
11	E	A	-2.7181
12	I	A	0.0000
13	S	A	-1.1121
14	V	A	-0.2088
15	G	A	-1.3706
16	E	A	-2.4037
17	S	A	-1.1840
18	K	A	-0.5510
19	F	A	1.8379
20	F	A	0.0000
21	L	A	0.7958
22	C	A	0.0000
23	Q	A	-1.3698
24	V	A	0.0000
25	A	A	-0.5770
26	G	A	-0.3528
27	W	A	-0.0444
28	T	A	-0.3027
29	Q	A	-0.5921
30	P	A	-0.4189
31	F	A	0.3161
32	I	A	1.4788
33	Q	A	0.0000
34	S	A	0.0000
35	W	A	0.0000
36	F	A	-1.3341
37	S	A	-1.3469
38	P	A	-1.3232
39	N	A	-2.0870
40	G	A	-2.2272
41	E	A	-3.2135
42	K	A	-2.7612
43	L	A	-1.6626
44	T	A	-1.2198
45	P	A	-0.9223
46	N	A	-2.2528
47	Q	A	-2.5810
48	Q	A	-2.4676
49	R	A	-1.9294
50	I	A	0.0000
51	S	A	-0.4195
52	V	A	0.0000
53	V	A	0.9249
54	W	A	-0.1480
55	N	A	-1.7764
56	D	A	-2.9739
57	D	A	-2.6843
58	S	A	-1.6255
59	S	A	-1.4181
60	S	A	0.0000
61	T	A	0.7759
62	L	A	0.0000
63	T	A	0.7949
64	I	A	0.0000
65	Y	A	-0.8648
66	N	A	-2.1151
67	A	A	0.0000
68	N	A	-1.2843
69	I	A	-0.1125
70	D	A	-1.6276
71	D	A	0.0000
72	A	A	-0.8613
73	G	A	-0.4337
74	I	A	0.2202
75	Y	A	0.0000
76	K	A	-1.1605
77	C	A	0.0000
78	V	A	0.0000
79	V	A	0.0000
80	S	A	-0.1507
81	L	A	0.0000
82	R	A	-1.1114
83	P	A	0.0000
84	Y	A	1.5748
85	W	A	1.8232
86	Y	A	1.1918
87	S	A	0.2941
88	G	A	-0.1656
89	T	A	-0.6995
90	L	A	-0.3673
91	Q	A	-1.0789
92	V	A	-1.0682
93	E	A	-2.1018
94	A	A	-1.3674
95	T	A	-0.7731
96	V	A	0.0000
97	N	A	-1.5154
98	V	A	0.0000
99	K	A	-2.1316
100	I	A	0.0000
101	F	A	-0.3368
102	Q	A	-0.4530