Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGYISDAYYMGWYRQAPGKEREFVATITHGTNTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAVAYATYAVFDPYFWYWGQGTQVTVSSLE
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                                          (00:01:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:34)

• Minimal score value: -3.2075
• Maximal score value: 2.9579
• Average score: -0.4222
• Total score value: -52.3548

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	-1.3041
2	V	A	-0.4470
3	Q	A	-1.6715
4	L	A	0.0000
5	Q	A	-1.7630
6	E	A	0.0000
7	S	A	-1.1101
8	G	A	-1.0222
9	G	A	-0.7791
10	G	A	-0.0363
11	L	A	1.0519
12	V	A	0.2074
13	Q	A	-1.0239
14	A	A	0.0000
15	G	A	-1.0780
16	G	A	-0.8349
17	S	A	-1.1668
18	L	A	-0.8859
19	R	A	-2.1265
20	L	A	0.0000
21	S	A	-0.8590
22	C	A	0.0000
23	A	A	-1.0062
24	A	A	0.0000
25	S	A	-0.7104
26	G	A	-0.1504
27	Y	A	0.3828
28	I	A	0.0000
29	S	A	-1.0294
30	D	A	-1.3288
31	A	A	0.0000
32	Y	A	0.5086
33	Y	A	0.4581
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	0.0719
38	R	A	0.0000
39	Q	A	-1.7381
40	A	A	-1.7921
41	P	A	-1.2819
42	G	A	-1.7941
43	K	A	-2.9242
44	E	A	-3.2075
45	R	A	-2.3090
46	E	A	-1.1211
47	F	A	0.2163
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.4838
51	I	A	0.0000
52	T	A	0.0000
53	H	A	-1.2867
54	G	A	-1.0745
55	T	A	-0.9672
56	N	A	-1.2949
57	T	A	-0.1005
58	Y	A	0.7547
59	Y	A	-0.1211
60	A	A	-0.8926
61	D	A	-2.2391
62	S	A	-1.7523
63	V	A	0.0000
64	K	A	-2.4641
65	G	A	-1.7889
66	R	A	-1.4907
67	F	A	0.0000
68	T	A	-0.7147
69	I	A	0.0000
70	S	A	-0.6077
71	R	A	-1.1456
72	D	A	-1.7079
73	N	A	-1.8869
74	A	A	-1.3100
75	K	A	-2.1191
76	N	A	-1.3079
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.6488
80	L	A	0.0000
81	Q	A	-1.2339
82	M	A	0.0000
83	N	A	-1.3684
84	S	A	-1.1684
85	L	A	0.0000
86	K	A	-2.1621
87	P	A	-1.6052
88	E	A	-2.2714
89	D	A	0.0000
90	T	A	-0.8349
91	A	A	0.0000
92	V	A	-0.3888
93	Y	A	0.0000
94	Y	A	-0.3437
95	C	A	0.0000
96	A	A	0.0000
97	V	A	0.0000
98	A	A	1.4194
99	Y	A	1.1142
100	A	A	1.2340
101	T	A	1.3546
102	Y	A	2.0189
103	A	A	1.7462
104	V	A	2.6958
105	F	A	2.9124
106	D	A	1.4151
107	P	A	1.3272
108	Y	A	2.3555
109	F	A	2.9579
110	W	A	2.1875
111	Y	A	1.1702
112	W	A	0.4852
113	G	A	-0.7555
114	Q	A	-1.5168
115	G	A	-0.9523
116	T	A	-1.0498
117	Q	A	-1.0873
118	V	A	0.0000
119	T	A	-0.2252
120	V	A	0.0000
121	S	A	-0.6227
122	S	A	-0.7689
123	L	A	0.1854
124	E	A	-1.2918