Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGYIFRKYRMGWYRQAPGKEREFVAGINGGSSTNYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAAYRIVWDLLVYWGQGTQVTVSS
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:36)

• Minimal score value: -3.1166
• Maximal score value: 2.8093
• Average score: -0.6761
• Total score value: -79.7788

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	-1.3915
2	V	A	-0.6046
3	Q	A	-1.5481
4	L	A	0.0000
5	Q	A	-1.0217
6	E	A	0.0000
7	S	A	-0.9063
8	G	A	-1.0220
9	G	A	-0.7777
10	G	A	-0.0549
11	L	A	1.0382
12	V	A	-0.0489
13	Q	A	-1.3310
14	A	A	-1.6032
15	G	A	-1.4470
16	G	A	-0.9299
17	S	A	-1.2427
18	L	A	-0.9073
19	R	A	-2.1272
20	L	A	0.0000
21	S	A	-0.7376
22	C	A	0.0000
23	A	A	-0.9042
24	A	A	0.0000
25	S	A	-0.6671
26	G	A	-0.4394
27	Y	A	0.3153
28	I	A	0.0000
29	F	A	0.0000
30	R	A	-2.9044
31	K	A	-2.7521
32	Y	A	-1.1957
33	R	A	-1.1774
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	0.1005
38	R	A	0.0000
39	Q	A	-1.6748
40	A	A	-1.7337
41	P	A	-1.2276
42	G	A	-1.7177
43	K	A	-2.7839
44	E	A	-3.1166
45	R	A	-2.2208
46	E	A	-1.0556
47	F	A	0.1146
48	V	A	0.0000
49	A	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	N	A	-1.5510
53	G	A	-2.0332
54	G	A	-1.3976
55	S	A	-1.0400
56	S	A	-0.9975
57	T	A	-0.9954
58	N	A	-1.5348
59	Y	A	-1.1800
60	A	A	-1.3236
61	D	A	-2.4709
62	S	A	-1.7075
63	V	A	0.0000
64	K	A	-2.7618
65	G	A	-1.7798
66	R	A	-1.5559
67	F	A	0.0000
68	T	A	-0.9887
69	I	A	0.0000
70	S	A	-0.5271
71	R	A	-1.3679
72	D	A	-1.7395
73	N	A	-2.0368
74	A	A	-1.5532
75	K	A	-2.1968
76	N	A	-1.7583
77	T	A	-1.1542
78	V	A	0.0000
79	Y	A	-0.6296
80	L	A	0.0000
81	Q	A	-1.2363
82	M	A	0.0000
83	N	A	-1.4566
84	S	A	-1.3185
85	L	A	0.0000
86	K	A	-2.7387
87	P	A	-2.0703
88	E	A	-2.4509
89	D	A	0.0000
90	T	A	-0.9407
91	A	A	0.0000
92	V	A	-0.3322
93	Y	A	0.0000
94	Y	A	-0.2177
95	C	A	0.0000
96	A	A	0.0000
97	A	A	0.0000
98	Y	A	0.7540
99	R	A	0.6316
100	I	A	2.4356
101	V	A	2.8093
102	W	A	1.9166
103	D	A	0.4470
104	L	A	1.7191
105	L	A	2.1035
106	V	A	1.8131
107	Y	A	1.3015
108	W	A	0.6446
109	G	A	-0.4699
110	Q	A	-1.2482
111	G	A	0.0000
112	T	A	-0.9082
113	Q	A	-0.9397
114	V	A	0.0000
115	T	A	-0.2884
116	V	A	0.0000
117	S	A	-0.8335
118	S	A	-0.9198