Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGYISDAYYMGWYRQAPGKEREFVATITHGTNTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAVFDISFLVFPWSHDYWGQGTQVTVSSLE
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                                          (00:01:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:43)

• Minimal score value: -3.1613
• Maximal score value: 4.0754
• Average score: -0.5261
• Total score value: -65.2372

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	-1.2944
2	V	A	-0.6241
3	Q	A	-1.6481
4	L	A	0.0000
5	Q	A	-1.6939
6	E	A	0.0000
7	S	A	-1.0844
8	G	A	-1.0192
9	G	A	-0.8208
10	G	A	-0.0597
11	L	A	1.0515
12	V	A	0.2023
13	Q	A	-0.9954
14	A	A	-1.2008
15	G	A	-1.1216
16	G	A	-0.8891
17	S	A	-1.2264
18	L	A	-1.0299
19	R	A	-2.1217
20	L	A	0.0000
21	S	A	-0.8482
22	C	A	0.0000
23	A	A	-1.1850
24	A	A	-0.7163
25	S	A	-0.7543
26	G	A	-0.1263
27	Y	A	0.4284
28	I	A	0.0000
29	S	A	-1.2608
30	D	A	-1.6963
31	A	A	-0.6778
32	Y	A	-0.1292
33	Y	A	-0.1098
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	0.0106
38	R	A	0.0000
39	Q	A	-1.7712
40	A	A	-1.8201
41	P	A	-1.2897
42	G	A	-1.7580
43	K	A	-2.8473
44	E	A	-3.1613
45	R	A	-2.3015
46	E	A	-1.0946
47	F	A	0.2363
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.4505
51	I	A	0.0000
52	T	A	0.0000
53	H	A	-1.6079
54	G	A	-1.0675
55	T	A	-1.0169
56	N	A	-1.3123
57	T	A	-0.1439
58	Y	A	0.6888
59	Y	A	-0.0659
60	A	A	-0.8545
61	D	A	-2.2216
62	S	A	-1.7283
63	V	A	0.0000
64	K	A	-2.4476
65	G	A	-1.7801
66	R	A	-1.4972
67	F	A	0.0000
68	T	A	-0.7084
69	I	A	0.0000
70	S	A	-0.6470
71	R	A	-1.2506
72	D	A	-1.7901
73	N	A	-2.0564
74	A	A	-1.3784
75	K	A	-2.1799
76	N	A	-1.4644
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.6475
80	L	A	0.0000
81	Q	A	-1.2078
82	M	A	0.0000
83	N	A	-1.4367
84	S	A	-1.2269
85	L	A	0.0000
86	K	A	-2.2650
87	P	A	-1.6448
88	E	A	-2.3030
89	D	A	0.0000
90	T	A	-0.8950
91	A	A	0.0000
92	V	A	-0.6005
93	Y	A	0.0000
94	Y	A	-0.3949
95	C	A	0.0000
96	A	A	0.0000
97	V	A	0.0000
98	F	A	-0.0629
99	D	A	-0.1416
100	I	A	1.8469
101	S	A	2.3280
102	F	A	3.5588
103	L	A	3.8122
104	V	A	4.0754
105	F	A	3.4785
106	P	A	1.3570
107	W	A	1.2861
108	S	A	0.0189
109	H	A	-0.6958
110	D	A	-0.9544
111	Y	A	-0.5063
112	W	A	-0.1990
113	G	A	-0.9082
114	Q	A	-1.5448
115	G	A	-1.0010
116	T	A	0.0000
117	Q	A	-1.1786
118	V	A	0.0000
119	T	A	-0.2675
120	V	A	0.0000
121	S	A	-0.5637
122	S	A	-0.7510
123	L	A	0.2015
124	E	A	-1.2759