Project name: query_structure

Chain sequence(s)	A: QLQLVESGGGWVQAGGSRRLSCAASGRTLDSYAVGWFRQAPGKEREWVSCSRSDGTTYQSDSMKGRFTISRDNTKNTVYLQMNSLKAEDTAVYYCASRRSYGCDYYGMEYWGKGTLVTVSS
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                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -3.5444
• Maximal score value: 1.5746
• Average score: -0.8265
• Total score value: -100.0103

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	Q	A	-1.8953
2	L	A	0.0000
3	Q	A	-1.7411
4	L	A	0.0000
5	V	A	0.1336
6	E	A	0.0000
7	S	A	-0.2039
8	G	A	-0.5914
9	G	A	0.1222
10	G	A	0.7530
11	W	A	1.0361
12	V	A	-0.2954
13	Q	A	-1.3655
14	A	A	-1.4535
15	G	A	-1.3195
16	G	A	-1.2319
17	S	A	-1.6634
18	R	A	-1.8494
19	R	A	-2.4438
20	L	A	0.0000
21	S	A	-0.5516
22	C	A	0.0000
23	A	A	-0.4332
24	A	A	0.0000
25	S	A	-1.2338
26	G	A	-1.7786
27	R	A	-2.1940
28	T	A	-1.8537
29	L	A	0.0000
30	D	A	-2.9135
31	S	A	-2.0022
32	Y	A	0.0000
33	A	A	0.0000
34	V	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	0.0000
39	Q	A	-1.7419
40	A	A	-1.7353
41	P	A	-1.6097
42	G	A	-1.9705
43	K	A	-3.3411
44	E	A	-3.5444
45	R	A	-2.7365
46	E	A	-1.7236
47	W	A	-0.7350
48	V	A	0.0000
49	S	A	0.0000
50	C	A	0.0000
51	S	A	0.0000
52	R	A	-1.1188
53	S	A	-1.8454
54	D	A	-2.1367
55	G	A	-1.4445
56	T	A	-0.5534
57	T	A	-0.2177
58	Y	A	0.0301
59	Q	A	-1.1827
60	S	A	0.0000
61	D	A	-2.5506
62	S	A	-1.7695
63	M	A	0.0000
64	K	A	-2.7616
65	G	A	-1.9045
66	R	A	-1.4749
67	F	A	0.0000
68	T	A	-0.9156
69	I	A	0.0000
70	S	A	-0.5063
71	R	A	-1.2627
72	D	A	-1.7627
73	N	A	-2.0854
74	T	A	-1.6527
75	K	A	-2.2187
76	N	A	-1.9641
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.6403
80	L	A	0.0000
81	Q	A	-1.4484
82	M	A	0.0000
83	N	A	-1.6104
84	S	A	-1.3003
85	L	A	0.0000
86	K	A	-2.2009
87	A	A	-1.6882
88	E	A	-2.2311
89	D	A	0.0000
90	T	A	-0.4260
91	A	A	0.0000
92	V	A	0.5052
93	Y	A	0.0000
94	Y	A	-0.0767
95	C	A	0.0000
96	A	A	0.0000
97	S	A	0.0000
98	R	A	-2.1996
99	R	A	-2.5681
100	S	A	-0.9595
101	Y	A	-0.0310
102	G	A	-0.6541
103	C	A	-0.3312
104	D	A	-0.9428
105	Y	A	0.5884
106	Y	A	0.9827
107	G	A	-0.4662
108	M	A	0.0000
109	E	A	-1.7577
110	Y	A	-1.1092
111	W	A	-0.3867
112	G	A	-0.5912
113	K	A	-1.5085
114	G	A	-0.2838
115	T	A	0.4194
116	L	A	1.5746
117	V	A	0.0000
118	T	A	0.3166
119	V	A	0.0000
120	S	A	-0.7797
121	S	A	-0.7994