Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVSNAYMEWYRQAPGKEREWVAAIESNGWWTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDVGNRQQTYDYWGQGTQVTVS
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                                          (00:01:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:40)

• Minimal score value: -3.6042
• Maximal score value: 1.2914
• Average score: -0.9129
• Total score value: -109.5489

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	-1.4767
2	V	A	-0.7218
3	Q	A	-0.7511
4	L	A	0.0000
5	V	A	1.2914
6	E	A	0.0000
7	S	A	-0.5366
8	G	A	-1.0501
9	G	A	-0.8158
10	G	A	-0.0735
11	L	A	1.0169
12	V	A	-0.0249
13	Q	A	-1.2756
14	A	A	-1.4910
15	G	A	-1.3784
16	G	A	-0.9022
17	S	A	-1.2746
18	L	A	-0.9934
19	R	A	-2.2741
20	L	A	0.0000
21	S	A	-0.4131
22	C	A	0.0000
23	A	A	-0.0160
24	A	A	0.0000
25	S	A	-0.7150
26	G	A	-1.1024
27	F	A	0.0000
28	P	A	-1.0684
29	V	A	0.0000
30	S	A	-1.4414
31	N	A	-1.4847
32	A	A	0.0000
33	Y	A	-1.1072
34	M	A	0.0000
35	E	A	0.0000
36	W	A	0.0000
37	Y	A	-0.3867
38	R	A	-1.2550
39	Q	A	-2.1818
40	A	A	-2.0868
41	P	A	-1.4670
42	G	A	-1.9908
43	K	A	-3.3991
44	E	A	-3.6042
45	R	A	-2.8310
46	E	A	-1.7870
47	W	A	-0.4848
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	E	A	-0.7766
53	S	A	-1.2258
54	N	A	-1.2840
55	G	A	-0.5288
56	W	A	1.0027
57	W	A	1.2543
58	T	A	0.9665
59	Y	A	0.6213
60	Y	A	-0.4441
61	A	A	-1.1341
62	D	A	-2.3210
63	S	A	-1.7130
64	V	A	0.0000
65	K	A	-2.5138
66	G	A	-1.7722
67	R	A	-1.5431
68	F	A	0.0000
69	T	A	-0.8798
70	I	A	0.0000
71	S	A	-0.5786
72	R	A	-1.4767
73	D	A	-2.0150
74	N	A	-2.6075
75	A	A	-1.7735
76	K	A	-2.4822
77	N	A	-1.9211
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.7856
81	L	A	0.0000
82	Q	A	-1.5934
83	M	A	0.0000
84	N	A	-1.4174
85	S	A	-1.2298
86	L	A	0.0000
87	K	A	-2.5411
88	P	A	-2.0142
89	E	A	-2.4166
90	D	A	0.0000
91	T	A	-1.0175
92	A	A	0.0000
93	V	A	-0.6085
94	Y	A	0.0000
95	Y	A	-0.1437
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-2.2286
100	D	A	-2.7999
101	V	A	-1.7444
102	G	A	-1.9633
103	N	A	-2.8485
104	R	A	-3.6017
105	Q	A	-3.0185
106	Q	A	-2.8752
107	T	A	-1.9542
108	Y	A	-0.8367
109	D	A	-1.7683
110	Y	A	-0.4460
111	W	A	0.0474
112	G	A	0.1186
113	Q	A	-0.8840
114	G	A	0.0000
115	T	A	0.0000
116	Q	A	-1.1714
117	V	A	0.0000
118	T	A	-0.3247
119	V	A	0.0000
120	S	A	-0.7817