Project name: query_structure

Chain sequence(s)	A: HVQLVESGGGLVQAGGFLRLSCTASGFTFDNLALAWFRQAPGKEREGVSCISWSGTRTYYADSVQGRFAISRDNAKNTLYLQMASLKPEDTAMYYCAAESSWVKTCPGDTTDWGSTYWGQGTQVTVSS
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                                          (00:01:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:14)

• Minimal score value: -3.9412
• Maximal score value: 1.5006
• Average score: -0.7268
• Total score value: -93.0304

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	H	A	-0.5427
2	V	A	0.8355
3	Q	A	-0.2694
4	L	A	0.0000
5	V	A	0.2873
6	E	A	0.0000
7	S	A	-0.6642
8	G	A	-0.9813
9	G	A	-0.7972
10	G	A	-0.0534
11	L	A	1.0390
12	V	A	0.3328
13	Q	A	-1.0141
14	A	A	-1.2728
15	G	A	-0.9290
16	G	A	0.0891
17	F	A	0.9534
18	L	A	0.0071
19	R	A	-1.5071
20	L	A	0.0000
21	S	A	-0.5203
22	C	A	0.0000
23	T	A	-0.5052
24	A	A	-0.2168
25	S	A	-0.1546
26	G	A	-0.1537
27	F	A	-0.0991
28	T	A	-1.0851
29	F	A	0.0000
30	D	A	-2.3310
31	N	A	-1.4696
32	L	A	0.0000
33	A	A	0.0000
34	L	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	F	A	-0.5288
38	R	A	-1.5717
39	Q	A	-2.5274
40	A	A	-2.2426
41	P	A	-1.5458
42	G	A	-2.0567
43	K	A	-3.5463
44	E	A	-3.9412
45	R	A	-3.4738
46	E	A	-2.2512
47	G	A	-0.9837
48	V	A	0.0000
49	S	A	0.0000
50	C	A	0.0000
51	I	A	0.0000
52	S	A	-0.5335
53	W	A	-0.5713
54	S	A	-0.9552
55	G	A	-1.0419
56	T	A	-1.0592
57	R	A	-1.9846
58	T	A	-0.7169
59	Y	A	-0.3363
60	Y	A	-0.5684
61	A	A	0.0000
62	D	A	-2.2685
63	S	A	-1.6798
64	V	A	0.0000
65	Q	A	-2.0518
66	G	A	-1.4453
67	R	A	-1.0231
68	F	A	0.0000
69	A	A	-0.6516
70	I	A	0.0000
71	S	A	-0.5588
72	R	A	-1.0067
73	D	A	-1.6935
74	N	A	-2.4995
75	A	A	-1.7776
76	K	A	-2.3534
77	N	A	-1.9565
78	T	A	-1.1348
79	L	A	0.0000
80	Y	A	-0.5876
81	L	A	0.0000
82	Q	A	-0.9321
83	M	A	0.0000
84	A	A	-0.2465
85	S	A	-0.6060
86	L	A	0.0000
87	K	A	-2.5918
88	P	A	-2.0236
89	E	A	-2.4161
90	D	A	0.0000
91	T	A	-1.0360
92	A	A	0.0000
93	M	A	-0.8129
94	Y	A	0.0000
95	Y	A	-0.4305
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	E	A	0.0000
100	S	A	-0.0854
101	S	A	0.4430
102	W	A	1.5006
103	V	A	1.4578
104	K	A	-0.7906
105	T	A	-0.5790
106	C	A	-0.7127
107	P	A	-1.4002
108	G	A	-1.4727
109	D	A	-2.2735
110	T	A	-1.4382
111	T	A	-1.4653
112	D	A	-2.1403
113	W	A	-0.9154
114	G	A	-1.0635
115	S	A	-0.4972
116	T	A	-0.0292
117	Y	A	0.6428
118	W	A	0.3077
119	G	A	-0.2589
120	Q	A	-0.9746
121	G	A	0.0000
122	T	A	-0.8858
123	Q	A	-1.1200
124	V	A	0.0000
125	T	A	-0.3251
126	V	A	0.0000
127	S	A	-0.8086
128	S	A	-0.9032