Project name: query_structure

Chain sequence(s)	A: LQVDIVPSQGEISVGESKFFLCQVAGSKSNIRISWFSPNGEKLTPNQQRISVVWNDDSSSTLTIYNANIDDAGIYKCVVYRTGGYRHRYLKLGEATVNVKIFQ
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:36)

• Minimal score value: -3.5877
• Maximal score value: 2.0124
• Average score: -0.8877
• Total score value: -91.4316

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	0.4611
2	Q	A	-0.8028
3	V	A	-0.8129
4	D	A	-0.6509
5	I	A	0.0000
6	V	A	0.9832
7	P	A	0.0838
8	S	A	-0.6629
9	Q	A	-1.9609
10	G	A	0.0000
11	E	A	-2.7898
12	I	A	0.0000
13	S	A	-1.0444
14	V	A	-0.1043
15	G	A	-1.2055
16	E	A	-2.1547
17	S	A	-0.8959
18	K	A	-0.3006
19	F	A	2.0124
20	F	A	0.0000
21	L	A	1.0151
22	C	A	0.0000
23	Q	A	-1.1531
24	V	A	0.0000
25	A	A	-0.6682
26	G	A	-0.9369
27	S	A	-1.4938
28	K	A	-2.6490
29	S	A	-2.3024
30	N	A	-2.5401
31	I	A	-1.9813
32	R	A	-1.6924
33	I	A	0.0000
34	S	A	0.0000
35	W	A	0.0000
36	F	A	-1.4342
37	S	A	-1.4010
38	P	A	-1.3538
39	N	A	-2.1011
40	G	A	-2.2611
41	E	A	-3.2413
42	K	A	-2.7957
43	L	A	-1.6015
44	T	A	-1.0921
45	P	A	-0.8062
46	N	A	-1.9994
47	Q	A	-2.0952
48	Q	A	-2.1134
49	R	A	-1.4158
50	I	A	0.0000
51	S	A	-0.1931
52	V	A	0.0000
53	V	A	0.7473
54	W	A	-0.5637
55	N	A	-1.8742
56	D	A	-3.0270
57	D	A	-3.5877
58	S	A	-2.4820
59	S	A	-1.5095
60	S	A	0.0000
61	T	A	0.7466
62	L	A	0.0000
63	T	A	0.9453
64	I	A	0.0000
65	Y	A	-0.4526
66	N	A	-1.8150
67	A	A	0.0000
68	N	A	-0.9024
69	I	A	0.0436
70	D	A	-1.5192
71	D	A	0.0000
72	A	A	-0.8755
73	G	A	-0.5209
74	I	A	0.1134
75	Y	A	0.0000
76	K	A	-1.1337
77	C	A	0.0000
78	V	A	0.0000
79	V	A	0.0000
80	Y	A	-0.8791
81	R	A	-1.7376
82	T	A	-1.4972
83	G	A	-1.1290
84	G	A	-1.0481
85	Y	A	-0.3713
86	R	A	-2.3581
87	H	A	-2.2720
88	R	A	-2.3469
89	Y	A	-0.5862
90	L	A	0.3157
91	K	A	-1.0371
92	L	A	-0.0828
93	G	A	-0.6750
94	E	A	-1.5209
95	A	A	-1.1425
96	T	A	-0.5865
97	V	A	0.0000
98	N	A	-1.6423
99	V	A	0.0000
100	K	A	-2.3397
101	I	A	0.0000
102	F	A	-0.2820
103	Q	A	-0.3937