Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQPGGSLRLSCAASNSHFSINTMGWYRQAPGKQRELVAAITSGGSTNYTDSVKGRFTISRDNAKNTVYLQMNSLEPEDTAVYYCNADGWDPLYNSYWGQGTQVTVSS
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -3.1538
• Maximal score value: 1.6034
• Average score: -0.899
• Total score value: -106.0852

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	-1.5108
2	V	A	-1.4280
3	Q	A	-1.9003
4	L	A	0.0000
5	Q	A	-1.6721
6	E	A	0.0000
7	S	A	-1.0893
8	G	A	-1.0250
9	G	A	-0.7864
10	G	A	-0.0354
11	L	A	1.0380
12	V	A	0.0202
13	Q	A	-1.2862
14	P	A	-1.5370
15	G	A	-1.3668
16	G	A	-0.8862
17	S	A	-1.1219
18	L	A	-1.0114
19	R	A	-2.2566
20	L	A	0.0000
21	S	A	-0.8723
22	C	A	0.0000
23	A	A	-1.1827
24	A	A	0.0000
25	S	A	-1.5966
26	N	A	-1.6883
27	S	A	-1.4982
28	H	A	-1.2518
29	F	A	-0.6847
30	S	A	-0.7697
31	I	A	0.0000
32	N	A	-0.9612
33	T	A	-0.7291
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	-0.5603
38	R	A	-1.4333
39	Q	A	-2.0827
40	A	A	-1.9665
41	P	A	-1.2967
42	G	A	-1.8011
43	K	A	-3.1538
44	Q	A	-3.0812
45	R	A	-2.6045
46	E	A	-2.5949
47	L	A	-0.8283
48	V	A	0.0000
49	A	A	0.0000
50	A	A	-0.4294
51	I	A	0.0000
52	T	A	-1.1744
53	S	A	-1.2678
54	G	A	-1.1407
55	G	A	-1.2057
56	S	A	-0.9355
57	T	A	-0.9649
58	N	A	-1.6670
59	Y	A	-1.4288
60	T	A	-1.7866
61	D	A	-2.6258
62	S	A	-1.8405
63	V	A	0.0000
64	K	A	-2.7876
65	G	A	-1.7583
66	R	A	-1.4847
67	F	A	0.0000
68	T	A	-1.0958
69	I	A	0.0000
70	S	A	-0.6359
71	R	A	-1.2169
72	D	A	-1.7250
73	N	A	-2.3866
74	A	A	-1.6294
75	K	A	-2.4449
76	N	A	-1.9032
77	T	A	-1.2992
78	V	A	0.0000
79	Y	A	-0.6248
80	L	A	0.0000
81	Q	A	-1.5516
82	M	A	0.0000
83	N	A	-1.4087
84	S	A	-1.2088
85	L	A	0.0000
86	E	A	-2.3371
87	P	A	-1.8949
88	E	A	-2.3448
89	D	A	0.0000
90	T	A	-0.9249
91	A	A	0.0000
92	V	A	-0.4047
93	Y	A	0.0000
94	Y	A	-0.5604
95	C	A	0.0000
96	N	A	0.0000
97	A	A	0.0000
98	D	A	-0.8622
99	G	A	-0.1214
100	W	A	0.7952
101	D	A	0.3213
102	P	A	0.5012
103	L	A	1.6034
104	Y	A	1.0163
105	N	A	-0.6118
106	S	A	-0.3592
107	Y	A	-0.3783
108	W	A	-0.2408
109	G	A	-0.8366
110	Q	A	-1.4076
111	G	A	-0.9637
112	T	A	-1.0691
113	Q	A	-0.9992
114	V	A	0.0000
115	T	A	-0.2492
116	V	A	0.0000
117	S	A	-0.7151
118	S	A	-0.9200