Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVNAQYMDWYRQAPGKEREWVAAIESFGWWTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAVQVGLEYYGQGTQVTVS
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                                          (00:01:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:42)

• Minimal score value: -3.7318
• Maximal score value: 2.1548
• Average score: -0.6505
• Total score value: -74.1521

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	-1.4685
2	V	A	-0.7693
3	Q	A	-1.1746
4	L	A	0.0000
5	V	A	0.3045
6	E	A	0.0000
7	S	A	-0.7616
8	G	A	-1.0525
9	G	A	-0.8580
10	G	A	-0.1252
11	L	A	0.9175
12	V	A	0.0000
13	Q	A	-1.3240
14	A	A	-1.5232
15	G	A	-1.4122
16	G	A	-0.9563
17	S	A	-1.2669
18	L	A	-1.0603
19	R	A	-2.1390
20	L	A	0.0000
21	S	A	-0.5963
22	C	A	0.0000
23	A	A	-0.4252
24	A	A	0.0000
25	S	A	-0.7518
26	G	A	-1.0100
27	F	A	-0.4824
28	P	A	-0.9378
29	V	A	0.0000
30	N	A	-0.5984
31	A	A	0.0308
32	Q	A	0.1673
33	Y	A	0.7700
34	M	A	0.0000
35	D	A	0.0000
36	W	A	0.0000
37	Y	A	-0.4238
38	R	A	-1.2996
39	Q	A	-2.2744
40	A	A	-2.1439
41	P	A	-1.4834
42	G	A	-2.0205
43	K	A	-3.4596
44	E	A	-3.7318
45	R	A	-3.0946
46	E	A	-1.8311
47	W	A	-0.5594
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.7287
51	I	A	0.0000
52	E	A	0.9500
53	S	A	0.9717
54	F	A	1.4897
55	G	A	1.0013
56	W	A	2.0526
57	W	A	2.1548
58	T	A	1.3079
59	Y	A	0.8337
60	Y	A	-0.3795
61	A	A	-1.0934
62	D	A	-2.3120
63	S	A	-1.7297
64	V	A	0.0000
65	K	A	-2.5036
66	G	A	-1.8021
67	R	A	-1.5441
68	F	A	0.0000
69	T	A	-0.7448
70	I	A	0.0000
71	S	A	-0.7989
72	R	A	-1.6687
73	D	A	-2.3039
74	N	A	-2.4239
75	A	A	-1.8739
76	K	A	-2.5569
77	N	A	-2.0235
78	T	A	-1.4195
79	V	A	0.0000
80	Y	A	-0.8309
81	L	A	0.0000
82	Q	A	-1.2394
83	M	A	0.0000
84	N	A	-1.4716
85	S	A	-1.2855
86	L	A	0.0000
87	K	A	-2.5583
88	P	A	-2.0261
89	E	A	-2.4110
90	D	A	0.0000
91	T	A	-1.0476
92	A	A	0.0000
93	V	A	-0.7045
94	Y	A	0.0000
95	Y	A	-0.2473
96	C	A	0.0000
97	A	A	0.0000
98	V	A	0.0000
99	Q	A	-0.4225
100	V	A	0.3310
101	G	A	0.0575
102	L	A	0.7174
103	E	A	-0.6398
104	Y	A	-0.1162
105	Y	A	0.0148
106	G	A	-0.2570
107	Q	A	-1.0915
108	G	A	0.0000
109	T	A	0.0000
110	Q	A	-1.2001
111	V	A	0.0000
112	T	A	-0.3870
113	V	A	0.0000
114	S	A	-0.8230