Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGYISDAYYMGWYRQAPGKEREFVATITHGTNTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAAPVPIFRSLGTFFGPNHWYWGQGTQVTVSSLE
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                                          (00:01:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)

• Minimal score value: -3.145
• Maximal score value: 1.7274
• Average score: -0.5809
• Total score value: -74.3489

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	-1.2352
2	V	A	-0.3757
3	Q	A	-1.6022
4	L	A	0.0000
5	Q	A	-1.7160
6	E	A	0.0000
7	S	A	-1.1991
8	G	A	-1.0314
9	G	A	-0.8312
10	G	A	-0.0616
11	L	A	1.0522
12	V	A	0.2098
13	Q	A	-0.9740
14	A	A	-1.1901
15	G	A	-1.1048
16	G	A	-0.8734
17	S	A	-1.2078
18	L	A	-1.0265
19	R	A	-2.1287
20	L	A	0.0000
21	S	A	-0.8498
22	C	A	0.0000
23	A	A	-1.1285
24	A	A	-0.6861
25	S	A	-0.6822
26	G	A	-0.0461
27	Y	A	0.5735
28	I	A	0.0000
29	S	A	-0.9525
30	D	A	-1.3577
31	A	A	0.0000
32	Y	A	0.7309
33	Y	A	0.1884
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	0.0449
38	R	A	0.0000
39	Q	A	-1.7480
40	A	A	-1.8147
41	P	A	-1.2925
42	G	A	-1.7646
43	K	A	-2.8696
44	E	A	-3.1450
45	R	A	-2.2435
46	E	A	-1.0486
47	F	A	0.2845
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.4303
51	I	A	0.0000
52	T	A	0.0000
53	H	A	-1.3291
54	G	A	-1.0161
55	T	A	-1.0748
56	N	A	-1.3012
57	T	A	-0.1162
58	Y	A	0.7663
59	Y	A	-0.1140
60	A	A	-0.8743
61	D	A	-2.2329
62	S	A	-1.7423
63	V	A	0.0000
64	K	A	-2.4564
65	G	A	-1.7870
66	R	A	-1.4879
67	F	A	0.0000
68	T	A	-0.7099
69	I	A	0.0000
70	S	A	-0.5768
71	R	A	-1.0972
72	D	A	-1.6446
73	N	A	-1.6929
74	A	A	-1.1938
75	K	A	-2.0507
76	N	A	-1.4464
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.6341
80	L	A	0.0000
81	Q	A	-1.2189
82	M	A	0.0000
83	N	A	-1.3994
84	S	A	-1.2013
85	L	A	0.0000
86	K	A	-2.2566
87	P	A	-1.6299
88	E	A	-2.2983
89	D	A	0.0000
90	T	A	-0.8949
91	A	A	0.0000
92	V	A	-0.6026
93	Y	A	0.0000
94	Y	A	-0.3811
95	C	A	0.0000
96	A	A	0.0000
97	A	A	0.0000
98	P	A	0.0000
99	V	A	0.6805
100	P	A	0.6335
101	I	A	1.0193
102	F	A	1.7274
103	R	A	-0.0925
104	S	A	0.2392
105	L	A	1.2263
106	G	A	0.6047
107	T	A	0.8145
108	F	A	1.2882
109	F	A	0.8769
110	G	A	-0.3364
111	P	A	-0.9035
112	N	A	-1.6784
113	H	A	-1.1561
114	W	A	-0.0471
115	Y	A	0.1420
116	W	A	0.1441
117	G	A	-0.7593
118	Q	A	-1.5695
119	G	A	-1.0007
120	T	A	0.0000
121	Q	A	-1.1856
122	V	A	0.0000
123	T	A	-0.2655
124	V	A	0.0000
125	S	A	-0.5575
126	S	A	-0.7615
127	L	A	0.2069
128	E	A	-1.2709