Project name: query_structure

Chain sequence(s)	A: QLQLVESGGGLVQVGGSLRLSCAASGRTFSRYAMGWFRQAPGKEREFVAAISWSGDNTYYVDSVKGRFTISRDNTKNTVFLQMNSLKPEDTAVYFCAADGPVAGSWYYSPYEYEYDYWGQGTQVTVSS
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                                          (00:01:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)

• Minimal score value: -3.2666
• Maximal score value: 2.3674
• Average score: -0.6642
• Total score value: -85.0127

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	-1.8833
2	L	A	-1.6798
3	Q	A	-1.3054
4	L	A	0.0000
5	V	A	0.7665
6	E	A	0.0000
7	S	A	-0.6325
8	G	A	-1.0161
9	G	A	-0.8124
10	G	A	-0.0171
11	L	A	1.0927
12	V	A	0.1873
13	Q	A	-0.8576
14	V	A	-0.5862
15	G	A	-0.9233
16	G	A	-0.6024
17	S	A	-0.9466
18	L	A	-0.9266
19	R	A	-2.1064
20	L	A	0.0000
21	S	A	-0.3741
22	C	A	0.0000
23	A	A	-0.2776
24	A	A	0.0000
25	S	A	-1.4612
26	G	A	-2.1161
27	R	A	-2.5107
28	T	A	-1.9556
29	F	A	0.0000
30	S	A	-1.8801
31	R	A	-2.0907
32	Y	A	0.0000
33	A	A	-0.4174
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	-0.2116
38	R	A	0.0000
39	Q	A	-1.7479
40	A	A	-1.7755
41	P	A	-1.2851
42	G	A	-1.8131
43	K	A	-2.9694
44	E	A	-3.2666
45	R	A	-2.3838
46	E	A	-1.2936
47	F	A	0.0000
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	S	A	-0.7429
53	W	A	-0.9762
54	S	A	-1.3262
55	G	A	-1.4878
56	D	A	-2.2704
57	N	A	-1.3119
58	T	A	-0.3862
59	Y	A	0.4656
60	Y	A	-0.3529
61	V	A	-0.7959
62	D	A	-2.2712
63	S	A	-1.7686
64	V	A	0.0000
65	K	A	-2.4693
66	G	A	-1.7780
67	R	A	-1.4132
68	F	A	0.0000
69	T	A	-0.7531
70	I	A	0.0000
71	S	A	-0.6222
72	R	A	-1.0969
73	D	A	-1.5239
74	N	A	-1.9395
75	T	A	-1.5466
76	K	A	-2.4185
77	N	A	-1.9993
78	T	A	0.0000
79	V	A	0.0000
80	F	A	-0.4463
81	L	A	0.0000
82	Q	A	-1.2025
83	M	A	0.0000
84	N	A	-1.3534
85	S	A	-1.0351
86	L	A	0.0000
87	K	A	-1.8874
88	P	A	-1.6041
89	E	A	-2.1820
90	D	A	0.0000
91	T	A	-0.8485
92	A	A	0.0000
93	V	A	-0.3973
94	Y	A	0.0000
95	F	A	-0.0705
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	D	A	0.0000
100	G	A	-0.8260
101	P	A	-0.1420
102	V	A	1.0829
103	A	A	0.6659
104	G	A	0.1230
105	S	A	1.2661
106	W	A	2.0098
107	Y	A	2.3674
108	Y	A	2.0883
109	S	A	1.0504
110	P	A	0.0000
111	Y	A	0.5074
112	E	A	-1.2304
113	Y	A	-1.0174
114	E	A	-2.2162
115	Y	A	0.0000
116	D	A	-2.0762
117	Y	A	-1.0413
118	W	A	-0.1019
119	G	A	-0.1243
120	Q	A	-0.8844
121	G	A	-0.4791
122	T	A	0.0000
123	Q	A	-0.9749
124	V	A	0.0000
125	T	A	-0.1474
126	V	A	0.0000
127	S	A	-0.4661
128	S	A	-0.5548