Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGSVQAGGSLKLSCAASGYFYSSNYCLGWFRQAPGKEREGVAQINIAPGRIYYADSVKGRFTISRDNAKNTVYLQMDSLKPEDTAIYYCASTAGNMYYGLRGPADFDYWGQGTQVTVSS
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                                          (00:01:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:20)

• Minimal score value: -3.3349
• Maximal score value: 1.6569
• Average score: -0.602
• Total score value: -76.4571

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	-1.1027
2	V	A	-0.2516
3	Q	A	-0.6421
4	L	A	0.0000
5	V	A	0.7794
6	E	A	0.0000
7	S	A	-0.5099
8	G	A	-1.1793
9	G	A	-1.1333
10	G	A	-0.9298
11	S	A	-0.7248
12	V	A	-0.7650
13	Q	A	-1.6006
14	A	A	-1.6678
15	G	A	-1.3961
16	G	A	-1.1440
17	S	A	-1.2941
18	L	A	-1.1400
19	K	A	-1.9770
20	L	A	0.0000
21	S	A	-0.3470
22	C	A	0.0000
23	A	A	-0.2965
24	A	A	-0.1194
25	S	A	-0.3242
26	G	A	-0.0229
27	Y	A	1.3757
28	F	A	0.0000
29	Y	A	1.3787
30	S	A	0.3388
31	S	A	-0.0649
32	N	A	-0.1359
33	Y	A	0.0605
34	C	A	0.0000
35	L	A	0.0000
36	G	A	0.0000
37	W	A	0.0000
38	F	A	0.0000
39	R	A	-1.1333
40	Q	A	-1.7612
41	A	A	-1.8258
42	P	A	-1.3361
43	G	A	-1.9052
44	K	A	-3.2196
45	E	A	-3.3349
46	R	A	-2.3633
47	E	A	-1.7618
48	G	A	-0.7063
49	V	A	0.0000
50	A	A	0.0000
51	Q	A	0.0000
52	I	A	0.0000
53	N	A	0.0000
54	I	A	0.5482
55	A	A	0.0305
56	P	A	-0.1195
57	G	A	-0.7027
58	R	A	-0.7680
59	I	A	0.8597
60	Y	A	0.3642
61	Y	A	-0.2858
62	A	A	0.0000
63	D	A	-2.3952
64	S	A	-1.8221
65	V	A	0.0000
66	K	A	-2.5501
67	G	A	-1.7987
68	R	A	-1.5542
69	F	A	0.0000
70	T	A	-0.5925
71	I	A	0.0000
72	S	A	-0.1773
73	R	A	-0.7761
74	D	A	-1.4739
75	N	A	-1.3557
76	A	A	-1.1876
77	K	A	-2.2675
78	N	A	-1.3544
79	T	A	-1.0008
80	V	A	0.0000
81	Y	A	-0.4059
82	L	A	0.0000
83	Q	A	-1.1131
84	M	A	0.0000
85	D	A	-1.6503
86	S	A	-1.3524
87	L	A	0.0000
88	K	A	-2.3375
89	P	A	-1.8469
90	E	A	-2.2917
91	D	A	0.0000
92	T	A	-1.0993
93	A	A	0.0000
94	I	A	-0.3400
95	Y	A	0.0000
96	Y	A	-0.2035
97	C	A	0.0000
98	A	A	0.0000
99	S	A	0.0000
100	T	A	0.0000
101	A	A	-0.7408
102	G	A	-0.8428
103	N	A	-0.9195
104	M	A	0.5281
105	Y	A	1.6569
106	Y	A	1.5261
107	G	A	0.6759
108	L	A	0.4200
109	R	A	-0.3867
110	G	A	-0.7091
111	P	A	-0.9516
112	A	A	-0.8902
113	D	A	-1.3695
114	F	A	0.0000
115	D	A	-1.6541
116	Y	A	-0.4116
117	W	A	-0.0736
118	G	A	-0.0764
119	Q	A	-0.8726
120	G	A	0.0000
121	T	A	0.0000
122	Q	A	-1.2422
123	V	A	0.0000
124	T	A	-0.9432
125	V	A	0.0000
126	S	A	-1.1338
127	S	A	-0.8430