Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGYISDAYYMGWYRQAPGKEREFVATITHGTNTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAADPGVQSSSLETFFTFFLYWGQGTQVTVSSLE
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                                          (00:01:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:13)

• Minimal score value: -3.9454
• Maximal score value: 2.9308
• Average score: -0.648
• Total score value: -82.943

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	-1.2613
2	V	A	-0.3025
3	Q	A	-1.6057
4	L	A	0.0000
5	Q	A	-1.6857
6	E	A	0.0000
7	S	A	-1.0689
8	G	A	-1.0114
9	G	A	-0.8191
10	G	A	-0.0622
11	L	A	1.0943
12	V	A	0.2855
13	Q	A	-0.8454
14	A	A	-1.1084
15	G	A	-1.0515
16	G	A	-0.8268
17	S	A	-1.2551
18	L	A	-0.9918
19	R	A	-2.2630
20	L	A	0.0000
21	S	A	-0.8997
22	C	A	0.0000
23	A	A	-1.1577
24	A	A	-0.6812
25	S	A	-0.7141
26	G	A	-0.0911
27	Y	A	0.6513
28	I	A	0.0000
29	S	A	-1.1224
30	D	A	-1.5814
31	A	A	0.0000
32	Y	A	-0.0315
33	Y	A	0.1862
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	0.0000
38	R	A	-1.8627
39	Q	A	-2.6161
40	A	A	-2.2905
41	P	A	-1.4752
42	G	A	-1.9917
43	K	A	-3.5835
44	E	A	-3.9454
45	R	A	-3.4701
46	E	A	-3.1418
47	F	A	-1.1596
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	-1.4746
54	G	A	-1.0715
55	T	A	-1.0536
56	N	A	-1.4421
57	T	A	-0.4432
58	Y	A	0.0300
59	Y	A	-0.5292
60	A	A	-1.3941
61	D	A	-2.3728
62	S	A	-1.8076
63	V	A	0.0000
64	K	A	-2.5465
65	G	A	-1.7716
66	R	A	-1.5292
67	F	A	0.0000
68	T	A	-0.9023
69	I	A	0.0000
70	S	A	-0.6584
71	R	A	-1.1201
72	D	A	-1.7202
73	N	A	-1.8738
74	A	A	-1.4063
75	K	A	-2.2332
76	N	A	-1.5447
77	T	A	-1.2677
78	V	A	0.0000
79	Y	A	-0.7264
80	L	A	0.0000
81	Q	A	-1.5802
82	M	A	0.0000
83	N	A	-1.4186
84	S	A	-1.1784
85	L	A	0.0000
86	K	A	-2.1014
87	P	A	-1.6326
88	E	A	-2.3149
89	D	A	0.0000
90	T	A	-0.9472
91	A	A	0.0000
92	V	A	-0.7302
93	Y	A	0.0000
94	Y	A	-0.7807
95	C	A	0.0000
96	A	A	0.0000
97	A	A	0.0000
98	D	A	0.0000
99	P	A	0.7018
100	G	A	0.6833
101	V	A	1.4179
102	Q	A	-0.4417
103	S	A	-0.0994
104	S	A	-0.2979
105	S	A	-0.1077
106	L	A	0.8671
107	E	A	-0.8718
108	T	A	0.4657
109	F	A	1.0948
110	F	A	1.5472
111	T	A	1.4554
112	F	A	2.9308
113	F	A	0.0000
114	L	A	2.3517
115	Y	A	1.3486
116	W	A	0.3869
117	G	A	-0.8436
118	Q	A	-1.4677
119	G	A	-1.0676
120	T	A	0.0000
121	Q	A	-1.0934
122	V	A	0.0000
123	T	A	-0.2446
124	V	A	0.0000
125	S	A	-0.5208
126	S	A	-0.7106
127	L	A	0.1281
128	E	A	-1.2550