Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGYIYRRYRMGWYRQAPGKEREFVAGINGGSSTNYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAAYRIVWDLRVYWGQGTQVTVSS
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                                          (00:01:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:46)

• Minimal score value: -3.4237
• Maximal score value: 3.1296
• Average score: -0.8197
• Total score value: -96.7301

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	-1.3969
2	V	A	-0.7677
3	Q	A	-1.7675
4	L	A	0.0000
5	Q	A	-1.7201
6	E	A	0.0000
7	S	A	-1.2000
8	G	A	-1.0198
9	G	A	-0.8217
10	G	A	-0.0298
11	L	A	1.0398
12	V	A	0.0135
13	Q	A	-1.2722
14	A	A	-1.4928
15	G	A	-1.3579
16	G	A	-0.8737
17	S	A	-1.1955
18	L	A	-0.8997
19	R	A	-2.1314
20	L	A	0.0000
21	S	A	-0.8598
22	C	A	0.0000
23	A	A	-1.1942
24	A	A	-0.8599
25	S	A	-0.8287
26	G	A	-0.0642
27	Y	A	0.1778
28	I	A	0.0000
29	Y	A	0.0000
30	R	A	-3.0308
31	R	A	-2.6725
32	Y	A	-1.1670
33	R	A	-1.3407
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	-0.2104
38	R	A	0.0000
39	Q	A	-2.0103
40	A	A	-2.0097
41	P	A	-1.3985
42	G	A	-1.9376
43	K	A	-3.3212
44	E	A	-3.4237
45	R	A	-2.4714
46	E	A	-1.8056
47	F	A	-0.4798
48	V	A	0.0000
49	A	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	N	A	-2.0889
53	G	A	-2.4190
54	G	A	-1.5692
55	S	A	-1.1284
56	S	A	-1.1097
57	T	A	-1.1196
58	N	A	-1.6643
59	Y	A	-1.3549
60	A	A	-1.5563
61	D	A	-2.5366
62	S	A	-1.7614
63	V	A	0.0000
64	K	A	-2.7863
65	G	A	-1.7730
66	R	A	-1.4961
67	F	A	0.0000
68	T	A	-1.0038
69	I	A	0.0000
70	S	A	-0.6375
71	R	A	-1.3276
72	D	A	-2.0046
73	N	A	-2.6067
74	A	A	-1.8129
75	K	A	-2.4075
76	N	A	-2.0074
77	T	A	-1.5294
78	V	A	0.0000
79	Y	A	-0.6574
80	L	A	0.0000
81	Q	A	-1.2439
82	M	A	0.0000
83	N	A	-1.3922
84	S	A	-1.2213
85	L	A	0.0000
86	K	A	-2.4038
87	P	A	-1.9047
88	E	A	-2.3587
89	D	A	0.0000
90	T	A	-0.9342
91	A	A	0.0000
92	V	A	-0.5970
93	Y	A	0.0000
94	Y	A	-0.4724
95	C	A	0.0000
96	A	A	0.0000
97	A	A	0.0000
98	Y	A	0.3208
99	R	A	0.1485
100	I	A	2.3965
101	V	A	3.1296
102	W	A	2.4944
103	D	A	1.3689
104	L	A	1.3121
105	R	A	-0.5133
106	V	A	0.2392
107	Y	A	-0.1467
108	W	A	-0.0552
109	G	A	-0.8264
110	Q	A	-1.5825
111	G	A	-1.0061
112	T	A	0.0000
113	Q	A	-1.1860
114	V	A	0.0000
115	T	A	-0.3063
116	V	A	0.0000
117	S	A	-0.7822
118	S	A	-1.0471