Project name: query_structure

Chain sequence(s)	A: QVQLVESGGALVQPGGSLRLSSAASGFPVNRYSMRWYRQAPGKEREWVSGMSSAGDRSSYEDSVKGRFTSSRDDARNTVYLQMNSLKPEDTAVYYSNVNVGFEYWGQGTQVTVSS
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                                          (00:01:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:43)

• Minimal score value: -3.9408
• Maximal score value: 1.3417
• Average score: -0.9918
• Total score value: -114.0621

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	-1.4919
2	V	A	-0.6272
3	Q	A	-0.9603
4	L	A	0.0000
5	V	A	0.7774
6	E	A	0.0000
7	S	A	-0.6405
8	G	A	-1.1680
9	G	A	-0.6734
10	A	A	0.0438
11	L	A	1.1490
12	V	A	0.0285
13	Q	A	-1.3198
14	P	A	-1.5963
15	G	A	-1.4240
16	G	A	-0.9744
17	S	A	-1.2843
18	L	A	-0.9566
19	R	A	-2.1416
20	L	A	0.0000
21	S	A	-0.4794
22	S	A	0.0000
23	A	A	-0.2740
24	A	A	0.0000
25	S	A	-0.7082
26	G	A	-1.0557
27	F	A	0.0000
28	P	A	-1.4375
29	V	A	0.0000
30	N	A	-1.9692
31	R	A	-2.1205
32	Y	A	-1.0253
33	S	A	-0.9721
34	M	A	0.0000
35	R	A	-0.4240
36	W	A	0.0000
37	Y	A	-0.9394
38	R	A	-1.7181
39	Q	A	-2.4923
40	A	A	-2.2386
41	P	A	-1.4534
42	G	A	-1.9892
43	K	A	-3.5876
44	E	A	-3.9408
45	R	A	-3.4555
46	E	A	-3.1098
47	W	A	-1.2850
48	V	A	0.0000
49	S	A	0.0000
50	G	A	-0.7027
51	M	A	0.0000
52	S	A	-1.6193
53	S	A	-1.4593
54	A	A	-1.5431
55	G	A	-2.4939
56	D	A	-2.9325
57	R	A	-2.9938
58	S	A	-1.6869
59	S	A	-1.2322
60	Y	A	-1.3493
61	E	A	-2.1675
62	D	A	-2.8081
63	S	A	-2.0524
64	V	A	0.0000
65	K	A	-2.8397
66	G	A	-1.8769
67	R	A	-1.4290
68	F	A	0.0000
69	T	A	-0.9306
70	S	A	-0.8108
71	S	A	-1.0787
72	R	A	-1.8664
73	D	A	-2.7618
74	D	A	-3.3834
75	A	A	-2.2124
76	R	A	-2.8969
77	N	A	-2.3214
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.2508
83	M	A	0.0000
84	N	A	-1.5498
85	S	A	-1.3359
86	L	A	0.0000
87	K	A	-2.4039
88	P	A	-1.9346
89	E	A	-2.3552
90	D	A	0.0000
91	T	A	-0.9124
92	A	A	0.0000
93	V	A	-0.4722
94	Y	A	0.0000
95	Y	A	-0.3880
96	S	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	N	A	-0.3839
100	V	A	0.0357
101	G	A	0.2573
102	F	A	1.3417
103	E	A	0.1773
104	Y	A	0.1779
105	W	A	0.2089
106	G	A	-0.0712
107	Q	A	-0.7700
108	G	A	0.0000
109	T	A	-0.6548
110	Q	A	-0.9255
111	V	A	0.0000
112	T	A	-0.1979
113	V	A	0.0000
114	S	A	-0.6727
115	S	A	-0.5979