Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSSAASGFPVYAYVMAWYRQAPGKEREWVAAIKSQGVSTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYSYVYVGTSYTGQGTQVTVS
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                                          (00:01:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:16)

• Minimal score value: -3.7204
• Maximal score value: 1.6294
• Average score: -0.6136
• Total score value: -69.9455

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	-1.4907
2	V	A	-0.8749
3	Q	A	-0.8163
4	L	A	0.0000
5	V	A	1.2284
6	E	A	0.0000
7	S	A	-0.5749
8	G	A	-1.0663
9	G	A	-0.8690
10	G	A	-0.1108
11	L	A	0.9080
12	V	A	0.0000
13	Q	A	-1.3015
14	A	A	-1.3858
15	G	A	-1.2909
16	G	A	-0.8716
17	S	A	-1.1022
18	L	A	-1.0205
19	R	A	-2.3071
20	L	A	0.0000
21	S	A	-0.4897
22	S	A	0.0000
23	A	A	-0.0675
24	A	A	0.0000
25	S	A	-0.7075
26	G	A	-1.0812
27	F	A	0.0000
28	P	A	-0.3575
29	V	A	0.0000
30	Y	A	0.1575
31	A	A	0.2672
32	Y	A	0.9573
33	V	A	1.0445
34	M	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	Y	A	-0.2370
38	R	A	-1.3252
39	Q	A	-2.2455
40	A	A	-2.1473
41	P	A	-1.5026
42	G	A	-2.0055
43	K	A	-3.4423
44	E	A	-3.7204
45	R	A	-3.0557
46	E	A	-1.8861
47	W	A	-0.5354
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	K	A	-0.0501
53	S	A	0.0265
54	Q	A	-0.6897
55	G	A	-0.1514
56	V	A	1.1677
57	S	A	0.5856
58	T	A	0.6511
59	Y	A	0.4452
60	Y	A	-0.3902
61	A	A	-1.1184
62	D	A	-2.3364
63	S	A	-1.8403
64	V	A	0.0000
65	K	A	-2.5189
66	G	A	-1.7839
67	R	A	-1.5149
68	F	A	0.0000
69	T	A	-0.8850
70	I	A	0.0000
71	S	A	-0.9285
72	R	A	-1.7140
73	D	A	-2.0683
74	N	A	-2.1158
75	A	A	-1.5631
76	K	A	-2.4486
77	N	A	-1.7273
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.6318
83	M	A	0.0000
84	N	A	-1.3677
85	S	A	-1.1123
86	L	A	0.0000
87	K	A	-2.1611
88	P	A	-1.8591
89	E	A	-2.2965
90	D	A	0.0000
91	T	A	-0.9950
92	A	A	0.0000
93	V	A	-0.7631
94	Y	A	0.0000
95	Y	A	-0.1758
96	S	A	0.0000
97	Y	A	0.6248
98	V	A	0.0000
99	Y	A	1.6294
100	V	A	0.9564
101	G	A	0.0451
102	T	A	0.2405
103	S	A	0.4615
104	Y	A	0.3408
105	T	A	0.1940
106	G	A	0.0000
107	Q	A	-0.9099
108	G	A	-0.5109
109	T	A	0.0000
110	Q	A	-1.2305
111	V	A	0.0000
112	T	A	-0.3583
113	V	A	0.0000
114	S	A	-0.7713