Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVNQWYMAWYRQAPGKEREWVAAIRSTGVKTWYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDDGWQWDNYDYWGQGTQVTVS
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                                          (00:01:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:52)

• Minimal score value: -3.5853
• Maximal score value: 0.926
• Average score: -0.8731
• Total score value: -104.7735

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	-1.3523
2	V	A	-0.5776
3	Q	A	-0.5408
4	L	A	0.0000
5	V	A	0.8929
6	E	A	0.0000
7	S	A	-0.6381
8	G	A	-1.0345
9	G	A	-0.8406
10	G	A	-0.0735
11	L	A	0.9260
12	V	A	0.0000
13	Q	A	-1.2805
14	A	A	-1.3596
15	G	A	-1.2765
16	G	A	-0.8717
17	S	A	-1.2097
18	L	A	-0.9434
19	R	A	-2.1356
20	L	A	0.0000
21	S	A	-0.4330
22	C	A	0.0000
23	A	A	-0.1287
24	A	A	0.0000
25	S	A	-0.5743
26	G	A	-0.8911
27	F	A	-0.7181
28	P	A	-1.3941
29	V	A	0.0000
30	N	A	-2.3792
31	Q	A	-2.1510
32	W	A	0.0000
33	Y	A	-1.5588
34	M	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	Y	A	0.0000
38	R	A	0.0000
39	Q	A	-2.0972
40	A	A	-2.0313
41	P	A	-1.4329
42	G	A	-1.9736
43	K	A	-3.3692
44	E	A	-3.5853
45	R	A	-2.8059
46	E	A	-1.8933
47	W	A	-0.5805
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	R	A	-1.4261
53	S	A	-1.6698
54	T	A	-0.7686
55	G	A	-0.5654
56	V	A	0.6916
57	K	A	-0.8062
58	T	A	-0.2327
59	W	A	-0.1555
60	Y	A	-0.5643
61	A	A	-1.2290
62	D	A	-2.3513
63	S	A	-1.7289
64	V	A	0.0000
65	K	A	-2.5498
66	G	A	-1.7918
67	R	A	-1.4766
68	F	A	0.0000
69	T	A	-0.7953
70	I	A	0.0000
71	S	A	-0.5700
72	R	A	-1.2745
73	D	A	-2.1053
74	N	A	-2.7829
75	A	A	-1.8529
76	K	A	-2.4570
77	N	A	-2.0183
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6658
81	L	A	0.0000
82	Q	A	-1.2447
83	M	A	0.0000
84	N	A	-1.3716
85	S	A	-1.1342
86	L	A	0.0000
87	K	A	-2.0734
88	P	A	-1.8141
89	E	A	-2.2559
90	D	A	0.0000
91	T	A	-0.9245
92	A	A	0.0000
93	V	A	-0.6092
94	Y	A	0.0000
95	Y	A	-0.2150
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-1.9888
100	D	A	-2.2986
101	D	A	-1.4765
102	G	A	-0.6113
103	W	A	0.1714
104	Q	A	-1.0499
105	W	A	-0.3095
106	D	A	-2.0470
107	N	A	-2.4295
108	Y	A	-1.6650
109	D	A	-2.0994
110	Y	A	-0.6352
111	W	A	-0.0702
112	G	A	-0.0076
113	Q	A	-0.9203
114	G	A	0.0000
115	T	A	0.0000
116	Q	A	-1.1576
117	V	A	0.0000
118	T	A	-0.3254
119	V	A	0.0000
120	S	A	-0.7511