Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQPGGSLRLSCAASGRIPFITAMGWYRQAPGRQRELLATVTNSGSTNYADSVKGRFTISRDNAKNTVSLQMNSLKAEDTAVYYCNVRRLGNLSDYWGQGTQVTVSS
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                                          (00:01:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:32)

• Minimal score value: -3.3345
• Maximal score value: 1.6381
• Average score: -0.8869
• Total score value: -103.7711

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	-1.6868
2	V	A	-1.2204
3	Q	A	-1.9217
4	L	A	0.0000
5	Q	A	-1.6653
6	E	A	0.0000
7	S	A	-1.1176
8	G	A	-1.0334
9	G	A	-0.8081
10	G	A	-0.0567
11	L	A	0.9967
12	V	A	0.0288
13	Q	A	-1.2313
14	P	A	-1.3444
15	G	A	-1.2111
16	G	A	-0.7973
17	S	A	-1.1971
18	L	A	-0.9509
19	R	A	-2.2831
20	L	A	0.0000
21	S	A	-0.9737
22	C	A	0.0000
23	A	A	-1.2675
24	A	A	-1.2979
25	S	A	-1.7455
26	G	A	-1.8982
27	R	A	-2.0899
28	I	A	0.0000
29	P	A	0.4003
30	F	A	1.6381
31	I	A	0.0000
32	T	A	-0.0995
33	A	A	-0.5729
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	-0.4407
38	R	A	-1.3194
39	Q	A	-2.1948
40	A	A	-1.9451
41	P	A	-1.4595
42	G	A	-1.9716
43	R	A	-3.3345
44	Q	A	-3.2547
45	R	A	-2.9749
46	E	A	-1.8337
47	L	A	-0.4950
48	L	A	0.0000
49	A	A	0.0000
50	T	A	-0.4750
51	V	A	0.0000
52	T	A	-1.2947
53	N	A	-1.4150
54	S	A	-1.1189
55	G	A	-1.3898
56	S	A	-1.0011
57	T	A	-1.0389
58	N	A	-1.6614
59	Y	A	-1.4009
60	A	A	-1.5521
61	D	A	-2.5507
62	S	A	-1.7540
63	V	A	0.0000
64	K	A	-2.7481
65	G	A	-1.7349
66	R	A	-1.3490
67	F	A	0.0000
68	T	A	-1.1481
69	I	A	0.0000
70	S	A	-0.8293
71	R	A	-1.5883
72	D	A	-2.2609
73	N	A	-2.6250
74	A	A	-1.7665
75	K	A	-2.5600
76	N	A	-2.1485
77	T	A	-1.5739
78	V	A	0.0000
79	S	A	-0.9183
80	L	A	0.0000
81	Q	A	-1.6099
82	M	A	0.0000
83	N	A	-1.3178
84	S	A	-1.0439
85	L	A	0.0000
86	K	A	-1.7393
87	A	A	-1.4748
88	E	A	-2.0664
89	D	A	0.0000
90	T	A	-0.8131
91	A	A	0.0000
92	V	A	-0.7111
93	Y	A	0.0000
94	Y	A	-0.5798
95	C	A	0.0000
96	N	A	0.0000
97	V	A	0.0000
98	R	A	-0.8685
99	R	A	-0.0088
100	L	A	1.3418
101	G	A	0.1327
102	N	A	-0.4703
103	L	A	0.7331
104	S	A	-0.1172
105	D	A	-0.5602
106	Y	A	-0.0489
107	W	A	-0.2569
108	G	A	-0.8596
109	Q	A	-1.4692
110	G	A	-1.0168
111	T	A	0.0000
112	Q	A	-1.0764
113	V	A	0.0000
114	T	A	-0.2385
115	V	A	0.0000
116	S	A	-0.6231
117	S	A	-0.4746