Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVMENSMYWYRQAPGKEREWVAAITSQGSWTWYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCHVSVGTNYTGQGTQVTVS
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                                          (00:01:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)

• Minimal score value: -3.9509
• Maximal score value: 1.0505
• Average score: -0.7825
• Total score value: -89.1995

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	-1.5075
2	V	A	-0.9257
3	Q	A	-1.0772
4	L	A	0.0000
5	V	A	0.9927
6	E	A	0.0000
7	S	A	-0.5856
8	G	A	-1.0551
9	G	A	-0.8251
10	G	A	-0.0734
11	L	A	1.0147
12	V	A	0.0110
13	Q	A	-1.2206
14	A	A	-1.3986
15	G	A	-1.3220
16	G	A	-0.8803
17	S	A	-1.2168
18	L	A	-0.9317
19	R	A	-2.1474
20	L	A	0.0000
21	S	A	-0.3964
22	C	A	0.0000
23	A	A	-0.1108
24	A	A	0.0000
25	S	A	-0.7231
26	G	A	-1.0414
27	F	A	-0.6202
28	P	A	-1.0707
29	V	A	0.0000
30	M	A	-1.6795
31	E	A	-2.1470
32	N	A	-1.0832
33	S	A	-0.4368
34	M	A	0.0000
35	Y	A	0.4741
36	W	A	0.0000
37	Y	A	-0.2486
38	R	A	0.0000
39	Q	A	-2.3451
40	A	A	-2.2036
41	P	A	-1.5386
42	G	A	-2.0732
43	K	A	-3.5556
44	E	A	-3.9509
45	R	A	-3.5075
46	E	A	-2.0599
47	W	A	-0.4862
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	T	A	-0.2138
53	S	A	-1.1800
54	Q	A	-1.8540
55	G	A	-1.0016
56	S	A	-0.0728
57	W	A	1.0505
58	T	A	1.0107
59	W	A	0.9923
60	Y	A	-0.3215
61	A	A	0.0000
62	D	A	-2.2816
63	S	A	-1.7327
64	V	A	0.0000
65	K	A	-2.4679
66	G	A	-1.7754
67	R	A	-1.4631
68	F	A	0.0000
69	T	A	-0.7268
70	I	A	0.0000
71	S	A	-0.5588
72	R	A	-1.3575
73	D	A	-2.0694
74	N	A	-2.6414
75	A	A	-1.6794
76	K	A	-2.4517
77	N	A	-1.7308
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6749
81	L	A	0.0000
82	Q	A	-1.2460
83	M	A	0.0000
84	N	A	-1.4416
85	S	A	-1.2075
86	L	A	0.0000
87	K	A	-2.2423
88	P	A	-1.9063
89	E	A	-2.3256
90	D	A	0.0000
91	T	A	-0.9595
92	A	A	0.0000
93	V	A	-0.6672
94	Y	A	0.0000
95	Y	A	-0.2055
96	C	A	0.0000
97	H	A	0.0000
98	V	A	0.0000
99	S	A	-0.5253
100	V	A	-0.3389
101	G	A	-0.5574
102	T	A	-0.6822
103	N	A	-1.2129
104	Y	A	-0.6469
105	T	A	-0.3704
106	G	A	-0.2715
107	Q	A	-1.0229
108	G	A	0.0000
109	T	A	0.0000
110	Q	A	-1.1674
111	V	A	0.0000
112	T	A	-0.3077
113	V	A	0.0000
114	S	A	-0.7401