Project name: query_structure

Chain sequence(s)	A: MVQLQESGGGSVQAGGSLRLSCVASGDTASMYCMGWFRQAPGKEREEVATIDSDGSVSIIDSLKGRFTISKDSANNALYLHMNSLRPEDTANYYCAAGRPPCGSYFLPGYYYYGMDYWGKGTLVTVSS
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                                          (00:02:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:21)

• Minimal score value: -3.6755
• Maximal score value: 3.2563
• Average score: -0.611
• Total score value: -78.2017

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	M	A	0.1286
2	V	A	0.0000
3	Q	A	-1.5977
4	L	A	0.0000
5	Q	A	-1.4014
6	E	A	0.0000
7	S	A	-0.5122
8	G	A	-0.7956
9	G	A	-0.3059
10	G	A	-0.1898
11	S	A	-0.3331
12	V	A	-0.8291
13	Q	A	-1.6309
14	A	A	-1.6954
15	G	A	-1.4540
16	G	A	-1.2303
17	S	A	-1.5412
18	L	A	-1.3306
19	R	A	-2.2234
20	L	A	0.0000
21	S	A	-0.6049
22	C	A	0.0000
23	V	A	-0.0177
24	A	A	0.0000
25	S	A	-1.2150
26	G	A	-1.4102
27	D	A	-1.9555
28	T	A	-1.2008
29	A	A	-0.6826
30	S	A	-0.7141
31	M	A	0.0000
32	Y	A	-0.1967
33	C	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	-1.7243
39	Q	A	-2.3686
40	A	A	0.0000
41	P	A	-1.5418
42	G	A	-1.9504
43	K	A	-3.4040
44	E	A	-3.6755
45	R	A	-2.9890
46	E	A	-2.7564
47	E	A	-1.6856
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.0000
51	I	A	0.0000
52	D	A	-0.8078
53	S	A	-1.0499
54	D	A	-1.9488
55	G	A	-1.2605
56	S	A	-0.5073
57	V	A	0.6642
58	S	A	0.0235
59	I	A	-0.3935
60	I	A	-1.1625
61	D	A	-2.2462
62	S	A	-1.5043
63	L	A	0.0000
64	K	A	-2.4774
65	G	A	-1.8417
66	R	A	-1.6715
67	F	A	0.0000
68	T	A	-0.7783
69	I	A	0.0000
70	S	A	-0.4242
71	K	A	-1.2593
72	D	A	-1.2173
73	S	A	-1.1580
74	A	A	-1.0007
75	N	A	-1.5426
76	N	A	-1.0599
77	A	A	0.0000
78	L	A	0.0000
79	Y	A	-0.5088
80	L	A	0.0000
81	H	A	-1.3764
82	M	A	0.0000
83	N	A	-2.1210
84	S	A	-1.5079
85	L	A	0.0000
86	R	A	-2.2812
87	P	A	-1.8255
88	E	A	-2.2496
89	D	A	0.0000
90	T	A	-0.8137
91	A	A	0.0000
92	N	A	-0.1843
93	Y	A	0.0000
94	Y	A	-0.6931
95	C	A	0.0000
96	A	A	0.0000
97	A	A	0.0000
98	G	A	0.0000
99	R	A	-1.9430
100	P	A	-0.8983
101	P	A	-0.2600
102	C	A	0.2160
103	G	A	1.0157
104	S	A	1.0092
105	Y	A	2.4179
106	F	A	3.2563
107	L	A	2.6493
108	P	A	0.8438
109	G	A	0.7759
110	Y	A	2.1173
111	Y	A	1.3791
112	Y	A	0.8745
113	Y	A	1.4846
114	G	A	-0.0531
115	M	A	0.0000
116	D	A	-1.7299
117	Y	A	-0.9519
118	W	A	-0.7643
119	G	A	-1.0964
120	K	A	-2.0011
121	G	A	0.0000
122	T	A	-0.0190
123	L	A	1.1555
124	V	A	0.0000
125	T	A	-0.3838
126	V	A	0.0000
127	S	A	-1.1986
128	S	A	-0.8768