Project name: query_structure

Chain sequence(s)	A: EVQLQASGGGLVQTGGSLRLACAGSGRSFNNYGMGWFRQAPGKERQFVAAISGNDHTTHYSDSVKGRFTISRDNAKTTVYLQMNSLKPEDTAVYYCAADRLGSFFFPRASPSDYGYWGQGTQVTVS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:41)

• Minimal score value: -3.3489
• Maximal score value: 2.9731
• Average score: -0.8383
• Total score value: -105.6258

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	E	A	-2.4000
2	V	A	-1.7187
3	Q	A	-2.0250
4	L	A	0.0000
5	Q	A	-1.7921
6	A	A	-1.1134
7	S	A	-1.2200
8	G	A	-1.1048
9	G	A	-0.7540
10	G	A	-0.0255
11	L	A	1.0704
12	V	A	0.0340
13	Q	A	-1.2033
14	T	A	-1.3811
15	G	A	-1.3003
16	G	A	-0.8679
17	S	A	-1.2591
18	L	A	-1.0921
19	R	A	-2.2319
20	L	A	0.0000
21	A	A	-0.8350
22	C	A	0.0000
23	A	A	-1.0400
24	G	A	0.0000
25	S	A	-1.7567
26	G	A	-2.0318
27	R	A	-2.4546
28	S	A	-1.7228
29	F	A	0.0000
30	N	A	-2.0049
31	N	A	-2.0110
32	Y	A	-1.0440
33	G	A	0.0000
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-1.1505
39	Q	A	-1.8461
40	A	A	-1.8570
41	P	A	-1.3399
42	G	A	-1.9141
43	K	A	-3.2484
44	E	A	-3.3489
45	R	A	-2.3646
46	Q	A	-1.7251
47	F	A	-0.7711
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	S	A	0.0000
53	G	A	0.0000
54	N	A	-2.7723
55	D	A	-2.9364
56	H	A	-2.0853
57	T	A	-1.2428
58	T	A	-0.5263
59	H	A	-0.6371
60	Y	A	-0.9611
61	S	A	-1.4201
62	D	A	-2.4436
63	S	A	-1.7311
64	V	A	0.0000
65	K	A	-2.6335
66	G	A	-1.7534
67	R	A	-1.3749
68	F	A	0.0000
69	T	A	-0.9730
70	I	A	0.0000
71	S	A	-0.4836
72	R	A	0.0000
73	D	A	-1.4876
74	N	A	-1.7841
75	A	A	-1.3099
76	K	A	-2.0796
77	T	A	-1.4265
78	T	A	-1.1302
79	V	A	0.0000
80	Y	A	-0.6407
81	L	A	0.0000
82	Q	A	-1.5421
83	M	A	0.0000
84	N	A	-1.3591
85	S	A	-1.1394
86	L	A	0.0000
87	K	A	-2.1188
88	P	A	-1.8244
89	E	A	-2.2873
90	D	A	0.0000
91	T	A	-0.8765
92	A	A	0.0000
93	V	A	-0.3597
94	Y	A	0.0000
95	Y	A	-0.5319
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	D	A	0.0000
100	R	A	-1.7621
101	L	A	0.4838
102	G	A	-0.3053
103	S	A	0.4844
104	F	A	2.9731
105	F	A	2.9380
106	F	A	1.4368
107	P	A	0.4073
108	R	A	-0.0180
109	A	A	-0.3509
110	S	A	-0.6112
111	P	A	-0.6511
112	S	A	-0.7097
113	D	A	-1.0888
114	Y	A	0.0000
115	G	A	-0.7693
116	Y	A	-0.5844
117	W	A	-0.2594
118	G	A	-1.0230
119	Q	A	-1.5131
120	G	A	-1.0043
121	T	A	-1.0581
122	Q	A	-0.9712
123	V	A	0.0000
124	T	A	-0.2328
125	V	A	0.0000
126	S	A	-0.7129