Project name: query_structure

Chain sequence(s)	A: DVQLVESGGGSVQAGGSLRLSCAASCKFSHLVFLGWFRQAPGKEREGVAAGLGAYESGYYADSVKGRFTVSLDNAENTVYLQMNSLKPEDTALYYCAALVVLSRDNTEFIAHNYWGQGTQVTVSS
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                                          (00:01:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -3.8059
• Maximal score value: 1.0558
• Average score: -0.8477
• Total score value: -105.9679

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	D	A	-1.9837
2	V	A	-1.5634
3	Q	A	-1.3406
4	L	A	0.0000
5	V	A	0.5115
6	E	A	-0.2319
7	S	A	-0.7646
8	G	A	-1.2534
9	G	A	-1.2199
10	G	A	-0.9362
11	S	A	-0.7054
12	V	A	-0.7651
13	Q	A	-1.6226
14	A	A	-1.7148
15	G	A	-1.4097
16	G	A	-1.0951
17	S	A	-1.2598
18	L	A	-1.1523
19	R	A	-2.1245
20	L	A	0.0000
21	S	A	-0.4203
22	C	A	0.0000
23	A	A	-0.3621
24	A	A	0.0000
25	S	A	-1.1964
26	C	A	-1.3928
27	K	A	-2.3784
28	F	A	0.0000
29	S	A	-0.9883
30	H	A	-0.5934
31	L	A	0.0000
32	V	A	1.0558
33	F	A	0.6878
34	L	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	-0.4945
38	R	A	-1.3722
39	Q	A	-2.2246
40	A	A	-2.0796
41	P	A	-1.4862
42	G	A	-2.0142
43	K	A	-3.4692
44	E	A	-3.8059
45	R	A	-3.2748
46	E	A	-2.0678
47	G	A	-0.8839
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	G	A	0.0000
52	L	A	0.2762
53	G	A	0.1679
54	A	A	0.1768
55	Y	A	0.1895
56	E	A	-1.4058
57	S	A	-0.6536
58	G	A	-0.0904
59	Y	A	0.1778
60	Y	A	-0.5631
61	A	A	0.0000
62	D	A	-2.3962
63	S	A	-1.8366
64	V	A	0.0000
65	K	A	-2.5292
66	G	A	-1.7720
67	R	A	-1.5121
68	F	A	0.0000
69	T	A	-0.6946
70	V	A	0.1235
71	S	A	-0.0014
72	L	A	-0.2392
73	D	A	-1.5723
74	N	A	-2.3757
75	A	A	-1.8608
76	E	A	-2.6737
77	N	A	-2.1574
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3711
81	L	A	0.0000
82	Q	A	-1.1920
83	M	A	0.0000
84	N	A	-1.5100
85	S	A	-1.3231
86	L	A	0.0000
87	K	A	-2.5628
88	P	A	-1.9729
89	E	A	-2.3865
90	D	A	0.0000
91	T	A	-1.2009
92	A	A	0.0000
93	L	A	-0.6591
94	Y	A	0.0000
95	Y	A	-0.3295
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	L	A	0.2723
100	V	A	0.0000
101	V	A	0.6921
102	L	A	0.1891
103	S	A	-1.2914
104	R	A	-2.6723
105	D	A	-3.3200
106	N	A	-2.7050
107	T	A	-2.0168
108	E	A	-1.8854
109	F	A	0.6773
110	I	A	0.7578
111	A	A	0.5014
112	H	A	-0.5613
113	N	A	-1.1664
114	Y	A	-0.7465
115	W	A	-0.0054
116	G	A	-0.2475
117	Q	A	-1.1343
118	G	A	-0.6387
119	T	A	0.0000
120	Q	A	-1.4960
121	V	A	0.0000
122	T	A	-0.9971
123	V	A	0.0000
124	S	A	-1.1705
125	S	A	-0.8805