Project name: query_structure

Chain sequence(s)	A: DVQLQASGGGLVQAGGSLRISCAASGGALSDYNMGWFRQAPGKEREFVAVVTWSGGSTRYADSVNGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAAAPLTPFQSLGDMKAYNYWGQGTQVTVS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:10)

• Minimal score value: -3.5962
• Maximal score value: 1.2587
• Average score: -0.8701
• Total score value: -108.7582

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	D	A	-2.2480
2	V	A	0.0000
3	Q	A	-2.1170
4	L	A	0.0000
5	Q	A	-1.6409
6	A	A	0.0000
7	S	A	-1.1781
8	G	A	-1.0237
9	G	A	-0.7990
10	G	A	-0.0233
11	L	A	1.0740
12	V	A	0.0900
13	Q	A	-1.1687
14	A	A	-1.3820
15	G	A	-1.3086
16	G	A	-0.8766
17	S	A	-1.2191
18	L	A	-1.0150
19	R	A	-2.1271
20	I	A	0.0000
21	S	A	-0.8101
22	C	A	0.0000
23	A	A	-1.1374
24	A	A	0.0000
25	S	A	-1.3972
26	G	A	-1.5204
27	G	A	-1.3141
28	A	A	-1.0095
29	L	A	0.0000
30	S	A	-1.1784
31	D	A	-1.4521
32	Y	A	-0.3210
33	N	A	0.0000
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-1.5969
39	Q	A	-2.2386
40	A	A	-2.0836
41	P	A	-1.3623
42	G	A	-1.9045
43	K	A	-3.3969
44	E	A	-3.5962
45	R	A	-2.7492
46	E	A	-2.8771
47	F	A	-1.4773
48	V	A	0.0000
49	A	A	0.0000
50	V	A	0.0000
51	V	A	0.0000
52	T	A	0.0000
53	W	A	0.0002
54	S	A	-0.6948
55	G	A	-0.7153
56	G	A	-0.5962
57	S	A	-0.4595
58	T	A	-0.5196
59	R	A	-1.1914
60	Y	A	-1.1004
61	A	A	-1.6115
62	D	A	-2.3934
63	S	A	-1.6857
64	V	A	0.0000
65	N	A	-2.3096
66	G	A	-1.5738
67	R	A	-1.3436
68	F	A	0.0000
69	T	A	-0.8578
70	I	A	0.0000
71	S	A	-0.5873
72	R	A	-1.1249
73	D	A	-1.9757
74	N	A	-2.0294
75	A	A	-1.5177
76	K	A	-2.3319
77	N	A	-1.6824
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6511
81	L	A	0.0000
82	Q	A	-1.2130
83	M	A	0.0000
84	N	A	-1.3843
85	S	A	-1.1857
86	L	A	0.0000
87	K	A	-2.2561
88	P	A	-1.8790
89	E	A	-2.3337
90	D	A	0.0000
91	T	A	-0.9260
92	A	A	0.0000
93	V	A	-0.4242
94	Y	A	0.0000
95	Y	A	-0.6767
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	A	A	0.0000
100	P	A	0.0666
101	L	A	1.2587
102	T	A	0.5358
103	P	A	-0.1276
104	F	A	-0.2387
105	Q	A	-1.3713
106	S	A	-1.0864
107	L	A	0.0000
108	G	A	-1.2507
109	D	A	-1.6353
110	M	A	-1.3706
111	K	A	-2.0394
112	A	A	-1.0977
113	Y	A	0.0000
114	N	A	-1.3073
115	Y	A	-0.5887
116	W	A	-0.4234
117	G	A	-0.9744
118	Q	A	-1.4766
119	G	A	-0.9977
120	T	A	-1.0588
121	Q	A	-0.9995
122	V	A	0.0000
123	T	A	-0.2295
124	V	A	0.0000
125	S	A	-0.7283