Project name: query_structure

Chain sequence(s)	A: MQVQLVEKGGKRVQPGGSLRLKCAASGFPVNRYSMRWYRQAPGKEREWVAGMSSAGDRSSYEDSVKGRFKIKRDDARNTVYLRMRKLKPEDTAVYYCNVNVGFEYWGQGTRVTVSKK
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                                          (00:02:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:39)

• Minimal score value: -3.6658
• Maximal score value: 0.6236
• Average score: -1.3703
• Total score value: -160.3195

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	0.3307
2	Q	A	-0.9349
3	V	A	-0.3705
4	Q	A	-0.8911
5	L	A	0.0000
6	V	A	0.3989
7	E	A	0.0000
8	K	A	-2.6411
9	G	A	-2.7524
10	G	A	-2.9986
11	K	A	-3.5821
12	R	A	-3.5502
13	V	A	-2.3542
14	Q	A	-2.6333
15	P	A	-2.5920
16	G	A	-1.9521
17	G	A	-1.8584
18	S	A	-2.0022
19	L	A	0.0000
20	R	A	-2.9022
21	L	A	0.0000
22	K	A	-1.7057
23	C	A	0.0000
24	A	A	-0.5045
25	A	A	0.0000
26	S	A	-0.4141
27	G	A	-0.4381
28	F	A	0.0000
29	P	A	-1.5508
30	V	A	0.0000
31	N	A	-2.3629
32	R	A	-2.3737
33	Y	A	-1.2697
34	S	A	-1.1273
35	M	A	0.0000
36	R	A	-0.7242
37	W	A	0.0000
38	Y	A	-0.9358
39	R	A	-1.6282
40	Q	A	-2.3805
41	A	A	-2.2181
42	P	A	-1.4011
43	G	A	-1.9315
44	K	A	-3.4581
45	E	A	-3.6658
46	R	A	-2.9148
47	E	A	-2.9010
48	W	A	-1.2560
49	V	A	0.0000
50	A	A	0.0000
51	G	A	0.0000
52	M	A	0.0000
53	S	A	-1.6491
54	S	A	-1.5764
55	A	A	-1.5962
56	G	A	-2.4826
57	D	A	-2.8305
58	R	A	-2.9268
59	S	A	-2.0234
60	S	A	-1.4230
61	Y	A	-1.5841
62	E	A	-2.1816
63	D	A	-2.8139
64	S	A	-2.0436
65	V	A	0.0000
66	K	A	-3.0436
67	G	A	-2.4233
68	R	A	-2.6206
69	F	A	0.0000
70	K	A	-2.7002
71	I	A	0.0000
72	K	A	-2.0787
73	R	A	-1.9050
74	D	A	-2.2481
75	D	A	-3.2185
76	A	A	-2.0256
77	R	A	-2.6362
78	N	A	-2.1342
79	T	A	0.0000
80	V	A	0.0000
81	Y	A	0.0000
82	L	A	0.0000
83	R	A	-2.3985
84	M	A	0.0000
85	R	A	-3.3839
86	K	A	-3.1751
87	L	A	0.0000
88	K	A	-2.8737
89	P	A	-2.0879
90	E	A	-2.3821
91	D	A	0.0000
92	T	A	-1.6641
93	A	A	0.0000
94	V	A	-0.7714
95	Y	A	0.0000
96	Y	A	-0.6471
97	C	A	0.0000
98	N	A	0.0000
99	V	A	0.0000
100	N	A	-1.2336
101	V	A	-0.4026
102	G	A	-0.1134
103	F	A	0.6236
104	E	A	-1.1450
105	Y	A	-0.5145
106	W	A	-0.1563
107	G	A	-0.1005
108	Q	A	-1.2005
109	G	A	-0.9438
110	T	A	-1.8287
111	R	A	-2.9134
112	V	A	0.0000
113	T	A	0.0000
114	V	A	0.0000
115	S	A	-2.4349
116	K	A	-3.0406
117	K	A	-2.9187