Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVNAYNMYWYRQAPGKEREWVAAIASSGSYTHYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDYGEWWKEYDYWGQGTQVTVS
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                                          (00:01:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:39)

• Minimal score value: -3.4099
• Maximal score value: 0.9214
• Average score: -0.8217
• Total score value: -98.6064

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	-1.3816
2	V	A	-0.6616
3	Q	A	-0.7679
4	L	A	0.0000
5	V	A	0.7815
6	E	A	0.0000
7	S	A	-0.6740
8	G	A	-1.0708
9	G	A	-0.8583
10	G	A	-0.0957
11	L	A	0.9214
12	V	A	0.0000
13	Q	A	-1.3125
14	A	A	-1.4983
15	G	A	-1.4258
16	G	A	-1.0112
17	S	A	-1.4350
18	L	A	-1.1052
19	R	A	-2.3543
20	L	A	0.0000
21	S	A	-0.5444
22	C	A	0.0000
23	A	A	-0.2307
24	A	A	0.0000
25	S	A	-0.6694
26	G	A	-0.9225
27	F	A	-0.5158
28	P	A	-1.0361
29	V	A	0.0000
30	N	A	-1.6445
31	A	A	-0.7410
32	Y	A	-0.4033
33	N	A	-0.5314
34	M	A	0.0000
35	Y	A	0.0988
36	W	A	0.0000
37	Y	A	-0.2701
38	R	A	-1.1722
39	Q	A	-2.0810
40	A	A	-2.0454
41	P	A	-1.4378
42	G	A	-1.9470
43	K	A	-3.3151
44	E	A	-3.4099
45	R	A	-2.4426
46	E	A	-1.6340
47	W	A	-0.4182
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	A	A	-0.2601
53	S	A	-0.6549
54	S	A	-0.4349
55	G	A	-0.5719
56	S	A	0.2446
57	Y	A	0.8165
58	T	A	0.0023
59	H	A	-1.0422
60	Y	A	-1.3371
61	A	A	-1.5549
62	D	A	-2.5639
63	S	A	-1.7993
64	V	A	0.0000
65	K	A	-2.7924
66	G	A	-1.8698
67	R	A	-1.7354
68	F	A	0.0000
69	T	A	-1.2117
70	I	A	0.0000
71	S	A	-0.6847
72	R	A	-1.4188
73	D	A	-2.1188
74	N	A	-2.5932
75	A	A	-1.8385
76	K	A	-2.4696
77	N	A	-2.0138
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.7028
83	M	A	0.0000
84	N	A	-1.9297
85	S	A	-1.3840
86	L	A	0.0000
87	K	A	-2.4442
88	P	A	-1.9563
89	E	A	-2.3693
90	D	A	0.0000
91	T	A	-1.0294
92	A	A	0.0000
93	V	A	-0.6642
94	Y	A	0.0000
95	Y	A	-0.1412
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-1.0527
100	D	A	-0.9918
101	Y	A	0.0706
102	G	A	-0.4783
103	E	A	-0.9828
104	W	A	0.4121
105	W	A	0.3579
106	K	A	-1.6456
107	E	A	-2.1259
108	Y	A	-1.4405
109	D	A	-1.8851
110	Y	A	-0.6525
111	W	A	0.0093
112	G	A	-0.0784
113	Q	A	-0.9557
114	G	A	0.0000
115	T	A	0.0000
116	Q	A	-1.2105
117	V	A	0.0000
118	T	A	-0.3701
119	V	A	0.0000
120	S	A	-0.7999