Project name: query_structure

Chain sequence(s)	A: VQLVESGGGSVQAGGSLRLSCTVSGYTDNRYCMGWFRQAPGKEREGVAGINDFGGTTYYVDSVKGRFTISQNNAKNTVYLQMNSLKPEDTAIYYCAIAPRIWGSICSPGTQYNYWGQGTMVTVSS
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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -3.3614
• Maximal score value: 1.463
• Average score: -0.6198
• Total score value: -77.4731

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	V	A	0.4630
2	Q	A	-0.4586
3	L	A	0.0000
4	V	A	0.4686
5	E	A	0.0000
6	S	A	-0.3457
7	G	A	-0.9937
8	G	A	-0.5399
9	G	A	-0.4295
10	S	A	-0.4267
11	V	A	-0.7586
12	Q	A	-1.5997
13	A	A	-1.6436
14	G	A	-1.3630
15	G	A	-1.0953
16	S	A	-1.2533
17	L	A	-1.1751
18	R	A	-2.1556
19	L	A	0.0000
20	S	A	-0.4963
21	C	A	0.0000
22	T	A	-0.5007
23	V	A	0.0000
24	S	A	-0.4823
25	G	A	-0.3219
26	Y	A	-0.4918
27	T	A	-0.7854
28	D	A	-1.8764
29	N	A	-2.3639
30	R	A	-2.0262
31	Y	A	-0.8607
32	C	A	0.0000
33	M	A	0.0000
34	G	A	0.0000
35	W	A	0.0000
36	F	A	0.0000
37	R	A	0.0000
38	Q	A	-1.7223
39	A	A	-1.6177
40	P	A	-1.2710
41	G	A	-1.7449
42	K	A	-2.8407
43	E	A	-3.3614
44	R	A	-2.7606
45	E	A	-1.6923
46	G	A	-0.6447
47	V	A	0.0000
48	A	A	0.0000
49	G	A	0.0000
50	I	A	0.0000
51	N	A	0.0000
52	D	A	0.0000
53	F	A	1.0351
54	G	A	0.1938
55	G	A	0.0635
56	T	A	0.4227
57	T	A	0.5401
58	Y	A	0.5107
59	Y	A	-0.4781
60	V	A	-0.9516
61	D	A	-2.2449
62	S	A	-1.7029
63	V	A	0.0000
64	K	A	-2.4552
65	G	A	-1.7414
66	R	A	-1.4874
67	F	A	0.0000
68	T	A	-0.8014
69	I	A	0.0000
70	S	A	-0.5892
71	Q	A	-0.9600
72	N	A	-1.9932
73	N	A	-2.2939
74	A	A	-1.7803
75	K	A	-2.6218
76	N	A	-2.1432
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.6443
80	L	A	0.0000
81	Q	A	-1.2835
82	M	A	0.0000
83	N	A	-1.4878
84	S	A	-1.2670
85	L	A	0.0000
86	K	A	-2.3154
87	P	A	-1.8605
88	E	A	-2.3009
89	D	A	0.0000
90	T	A	-0.7923
91	A	A	0.0000
92	I	A	0.2200
93	Y	A	0.0000
94	Y	A	-0.0305
95	C	A	0.0000
96	A	A	0.0000
97	I	A	0.0000
98	A	A	0.0000
99	P	A	-0.9347
100	R	A	-0.2865
101	I	A	1.2994
102	W	A	1.3325
103	G	A	0.6164
104	S	A	0.9828
105	I	A	1.4630
106	C	A	0.0000
107	S	A	0.2336
108	P	A	-0.2702
109	G	A	-0.6919
110	T	A	-0.7077
111	Q	A	-1.5957
112	Y	A	-0.9728
113	N	A	-1.0671
114	Y	A	0.0586
115	W	A	0.2902
116	G	A	-0.0644
117	Q	A	-0.9343
118	G	A	0.0000
119	T	A	0.1352
120	M	A	0.5213
121	V	A	0.0000
122	T	A	-0.5002
123	V	A	0.0000
124	S	A	-1.1289
125	S	A	-0.8430