Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGYISDAYYMGWYRQAPGKEREFVATITHGTNTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAVTNPWYWIGVPAADSYYDYWGQGTQVTVSSLE
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                                          (00:01:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:31)

• Minimal score value: -3.2198
• Maximal score value: 3.1696
• Average score: -0.5798
• Total score value: -74.2129

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	-1.2529
2	V	A	-0.5949
3	Q	A	-1.5359
4	L	A	0.0000
5	Q	A	-1.6655
6	E	A	0.0000
7	S	A	-1.0909
8	G	A	-1.0162
9	G	A	-0.8175
10	G	A	-0.0611
11	L	A	1.0472
12	V	A	0.1856
13	Q	A	-1.2425
14	A	A	-1.4604
15	G	A	-1.3505
16	G	A	-0.8808
17	S	A	-1.2263
18	L	A	-1.0338
19	R	A	-2.1281
20	L	A	0.0000
21	S	A	-0.8472
22	C	A	0.0000
23	A	A	-1.1372
24	A	A	-0.6894
25	S	A	-0.7243
26	G	A	-0.0894
27	Y	A	0.5490
28	I	A	0.0000
29	S	A	-1.0017
30	D	A	-1.0197
31	A	A	0.0000
32	Y	A	0.4832
33	Y	A	0.0503
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	0.0000
38	R	A	0.0000
39	Q	A	-1.8572
40	A	A	-1.8235
41	P	A	-1.2846
42	G	A	-1.7558
43	K	A	-2.8440
44	E	A	-3.2198
45	R	A	-2.4346
46	E	A	-1.4617
47	F	A	-0.2791
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.0000
51	I	A	0.0000
52	T	A	0.0000
53	H	A	-1.3756
54	G	A	-1.0990
55	T	A	-1.0114
56	N	A	-1.3072
57	T	A	-0.2183
58	Y	A	0.4975
59	Y	A	-0.2597
60	A	A	-0.9960
61	D	A	-2.2791
62	S	A	-1.7659
63	V	A	0.0000
64	K	A	-2.4934
65	G	A	-1.7950
66	R	A	-1.5209
67	F	A	0.0000
68	T	A	-0.7441
69	I	A	0.0000
70	S	A	-0.4650
71	R	A	-1.1225
72	D	A	-1.6579
73	N	A	-1.7825
74	A	A	-1.2638
75	K	A	-2.1003
76	N	A	-1.4972
77	T	A	-1.2864
78	V	A	0.0000
79	Y	A	-0.6327
80	L	A	0.0000
81	Q	A	-1.2260
82	M	A	0.0000
83	N	A	-1.4495
84	S	A	-1.2402
85	L	A	0.0000
86	K	A	-2.3614
87	P	A	-1.7082
88	E	A	-2.3383
89	D	A	0.0000
90	T	A	-0.9121
91	A	A	0.0000
92	V	A	-0.6173
93	Y	A	0.0000
94	Y	A	-0.5004
95	C	A	0.0000
96	A	A	0.0000
97	V	A	0.0000
98	T	A	0.0000
99	N	A	0.3467
100	P	A	0.0000
101	W	A	1.9234
102	Y	A	2.7513
103	W	A	2.9986
104	I	A	3.1696
105	G	A	1.6802
106	V	A	2.2448
107	P	A	0.5385
108	A	A	-0.0963
109	A	A	-0.5673
110	D	A	-1.7247
111	S	A	-0.8435
112	Y	A	-0.0581
113	Y	A	-0.3307
114	D	A	-0.6624
115	Y	A	-0.3015
116	W	A	-0.1616
117	G	A	-0.8334
118	Q	A	-1.5505
119	G	A	-1.0333
120	T	A	0.0000
121	Q	A	-1.1722
122	V	A	0.0000
123	T	A	-0.2814
124	V	A	0.0000
125	S	A	-0.4737
126	S	A	-0.6609
127	L	A	0.3124
128	E	A	-1.3859