Project name: query_structure

Chain sequence(s)	A: QVQLVESGGALVQPGGSLRLSCAASGLEVQWSDLRWYRQAPGKEREWVCGISWTPFFISYEDSVKGRFTCSRDDARNTVYLQLNSLKPEDTAVYYCASQHSHAMAMHTKTLYWGQGTQVTVSS
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                                          (00:01:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:59)

• Minimal score value: -3.6413
• Maximal score value: 3.5493
• Average score: -0.6843
• Total score value: -84.1638

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	-1.5577
2	V	A	-1.3167
3	Q	A	-1.0752
4	L	A	0.0000
5	V	A	1.2081
6	E	A	0.0000
7	S	A	-0.5276
8	G	A	-1.1637
9	G	A	-0.6994
10	A	A	0.1527
11	L	A	1.1481
12	V	A	0.0306
13	Q	A	-1.3417
14	P	A	-1.5864
15	G	A	-1.3750
16	G	A	-0.9144
17	S	A	-1.2758
18	L	A	-1.0249
19	R	A	-2.2515
20	L	A	0.0000
21	S	A	-0.4119
22	C	A	0.0000
23	A	A	-0.0788
24	A	A	0.0000
25	S	A	-1.1177
26	G	A	-1.5185
27	L	A	0.0000
28	E	A	-2.7683
29	V	A	0.0000
30	Q	A	-2.0320
31	W	A	-0.9075
32	S	A	0.0000
33	D	A	-0.2694
34	L	A	0.0000
35	R	A	-0.3275
36	W	A	0.0000
37	Y	A	-0.8087
38	R	A	-1.4845
39	Q	A	-2.1850
40	A	A	-2.0999
41	P	A	-1.3913
42	G	A	-1.9318
43	K	A	-3.4275
44	E	A	-3.6413
45	R	A	-2.8723
46	E	A	-2.6508
47	W	A	-1.0864
48	V	A	0.0000
49	C	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	S	A	1.2196
53	W	A	0.8529
54	T	A	1.3014
55	P	A	1.4352
56	F	A	3.1806
57	F	A	3.5493
58	I	A	2.7601
59	S	A	0.7256
60	Y	A	-0.8665
61	E	A	-2.0769
62	D	A	-2.7794
63	S	A	-1.8376
64	V	A	0.0000
65	K	A	-2.7930
66	G	A	-1.8065
67	R	A	-1.3559
68	F	A	0.0000
69	T	A	-0.7927
70	C	A	0.0000
71	S	A	-0.5148
72	R	A	-1.6952
73	D	A	-2.6403
74	D	A	-3.5099
75	A	A	-2.4375
76	R	A	-3.0296
77	N	A	-2.8033
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.8159
81	L	A	0.0000
82	Q	A	-1.5459
83	L	A	0.0000
84	N	A	-1.3720
85	S	A	-1.1840
86	L	A	0.0000
87	K	A	-2.2783
88	P	A	-1.9655
89	E	A	-2.3364
90	D	A	0.0000
91	T	A	-0.9097
92	A	A	0.0000
93	V	A	-0.4588
94	Y	A	0.0000
95	Y	A	-0.3284
96	C	A	0.0000
97	A	A	0.0000
98	S	A	0.0000
99	Q	A	-0.7325
100	H	A	-1.3719
101	S	A	-0.6488
102	H	A	-0.1316
103	A	A	0.4273
104	M	A	1.0363
105	A	A	0.2352
106	M	A	0.5612
107	H	A	-0.7644
108	T	A	-1.2253
109	K	A	-1.8082
110	T	A	-0.7491
111	L	A	0.1439
112	Y	A	0.2408
113	W	A	0.4889
114	G	A	0.0785
115	Q	A	-0.7903
116	G	A	-0.4423
117	T	A	-0.6515
118	Q	A	-0.9592
119	V	A	0.0000
120	T	A	-0.2097
121	V	A	0.0000
122	S	A	-0.6914
123	S	A	-0.5088