Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLTLSCTASGFTLDHYDIGWFRQAPGKEREGVSCINNSDDDTYYADSVKGRFTIFMNNAKDTVYLQMNSLKPEDTAIYYCAEARGCKRGEYEYDFWGQGTQVTVSSKKK
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                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:17)

• Minimal score value: -3.5962
• Maximal score value: 0.596
• Average score: -1.1231
• Total score value: -140.3822

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	-1.3343
2	V	A	-0.4605
3	Q	A	-0.7290
4	L	A	0.0000
5	V	A	0.5960
6	E	A	0.0000
7	S	A	-0.4304
8	G	A	-0.5823
9	G	A	-0.6522
10	G	A	-0.3672
11	L	A	-0.6954
12	V	A	0.0000
13	Q	A	-2.3558
14	P	A	-1.8727
15	G	A	-1.4231
16	G	A	-1.0453
17	S	A	-0.8813
18	L	A	-0.1734
19	T	A	-0.3466
20	L	A	0.0000
21	S	A	0.1105
22	C	A	0.0000
23	T	A	-0.3262
24	A	A	0.0000
25	S	A	-0.5486
26	G	A	-0.7806
27	F	A	-0.4257
28	T	A	-1.2210
29	L	A	0.0000
30	D	A	-2.5721
31	H	A	-2.0566
32	Y	A	-1.1811
33	D	A	0.0000
34	I	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-1.1908
39	Q	A	-1.8407
40	A	A	-1.8790
41	P	A	-1.3492
42	G	A	-1.9100
43	K	A	-3.2508
44	E	A	-3.4030
45	R	A	-2.4617
46	E	A	-1.8007
47	G	A	-0.9304
48	V	A	0.0000
49	S	A	0.0000
50	C	A	0.0000
51	I	A	0.0000
52	N	A	-2.7155
53	N	A	-2.6074
54	S	A	-2.5408
55	D	A	-3.4988
56	D	A	-3.5962
57	D	A	-3.3211
58	T	A	-1.6106
59	Y	A	-1.2690
60	Y	A	-1.0381
61	A	A	0.0000
62	D	A	-2.4420
63	S	A	-1.8526
64	V	A	0.0000
65	K	A	-2.6043
66	G	A	-1.7815
67	R	A	-1.5146
68	F	A	0.0000
69	T	A	-0.4391
70	I	A	0.0000
71	F	A	0.0475
72	M	A	-0.6306
73	N	A	-1.5130
74	N	A	-2.4981
75	A	A	-1.8505
76	K	A	-2.4298
77	D	A	-2.0745
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.2011
81	L	A	0.0000
82	Q	A	-0.4579
83	M	A	0.0000
84	N	A	-1.1658
85	S	A	-1.2400
86	L	A	0.0000
87	K	A	-2.4164
88	P	A	-1.9447
89	E	A	-2.3421
90	D	A	0.0000
91	T	A	-1.0305
92	A	A	0.0000
93	I	A	-0.3659
94	Y	A	0.0000
95	Y	A	-0.2264
96	C	A	0.0000
97	A	A	0.0000
98	E	A	0.0000
99	A	A	0.0000
100	R	A	-3.0194
101	G	A	-2.4310
102	C	A	-2.0447
103	K	A	-3.2137
104	R	A	-3.1526
105	G	A	-2.7471
106	E	A	-3.3320
107	Y	A	-2.5029
108	E	A	-2.8946
109	Y	A	0.0000
110	D	A	-1.8967
111	F	A	-0.1588
112	W	A	0.2176
113	G	A	-0.0424
114	Q	A	-0.8098
115	G	A	0.0000
116	T	A	0.0000
117	Q	A	-1.1066
118	V	A	0.0000
119	T	A	-0.6892
120	V	A	0.0000
121	S	A	-2.0132
122	S	A	-2.2641
123	K	A	-3.2331
124	K	A	-3.5155
125	K	A	-2.9920