Project name: query_structure

Chain sequence(s)	A: MVQLQESGGGSVQAGGSLRLSCVASGDTASMYCMGWFRQAPGKEREEVATIDSDGSVSIYDSLKGRFTISKDSANNALYLHMNSLRPEDTANYYCAAGRPPCGSWFLPGYYYYGMDYWGKGTLVTVSS
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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -3.3301
• Maximal score value: 2.9305
• Average score: -0.5807
• Total score value: -74.3339

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	0.1978
2	V	A	0.0000
3	Q	A	-1.6275
4	L	A	0.0000
5	Q	A	-1.5499
6	E	A	0.0000
7	S	A	-0.5743
8	G	A	-0.8338
9	G	A	-0.4058
10	G	A	-0.2547
11	S	A	-0.3784
12	V	A	-0.9228
13	Q	A	-1.7553
14	A	A	-1.9687
15	G	A	-1.6496
16	G	A	-1.3580
17	S	A	-1.6541
18	L	A	-1.3362
19	R	A	-2.2088
20	L	A	0.0000
21	S	A	-0.6479
22	C	A	0.0000
23	V	A	-0.1636
24	A	A	0.0000
25	S	A	-1.2845
26	G	A	-1.4495
27	D	A	-1.9780
28	T	A	-1.2025
29	A	A	-0.6485
30	S	A	-0.4380
31	M	A	0.0000
32	Y	A	-0.0367
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	-1.2997
39	Q	A	-2.1220
40	A	A	-1.7791
41	P	A	-1.3812
42	G	A	-1.6630
43	K	A	-2.6579
44	E	A	-3.3301
45	R	A	-2.9491
46	E	A	-1.6230
47	E	A	-0.3765
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.2283
51	I	A	0.0000
52	D	A	-1.0303
53	S	A	-1.1856
54	D	A	-1.9644
55	G	A	-1.2632
56	S	A	-0.5280
57	V	A	0.6276
58	S	A	0.0857
59	I	A	-0.2066
60	Y	A	-0.6734
61	D	A	-2.0955
62	S	A	-1.4460
63	L	A	0.0000
64	K	A	-2.4322
65	G	A	-1.8307
66	R	A	-1.9007
67	F	A	0.0000
68	T	A	-0.8491
69	I	A	0.0000
70	S	A	-0.4468
71	K	A	-1.2973
72	D	A	-1.2698
73	S	A	-1.1412
74	A	A	-1.0730
75	N	A	-1.6736
76	N	A	-1.3400
77	A	A	0.0000
78	L	A	0.0000
79	Y	A	-0.5570
80	L	A	0.0000
81	H	A	-1.4902
82	M	A	0.0000
83	N	A	-2.2916
84	S	A	-1.7379
85	L	A	0.0000
86	R	A	-3.0733
87	P	A	-2.1811
88	E	A	-2.5079
89	D	A	0.0000
90	T	A	-0.9994
91	A	A	0.0000
92	N	A	-0.4279
93	Y	A	0.0000
94	Y	A	-0.6232
95	C	A	0.0000
96	A	A	0.0000
97	A	A	0.0000
98	G	A	0.0000
99	R	A	-0.8050
100	P	A	-0.1940
101	P	A	0.0951
102	C	A	-0.0050
103	G	A	0.9839
104	S	A	1.0680
105	W	A	1.8226
106	F	A	2.6693
107	L	A	2.0648
108	P	A	1.0226
109	G	A	1.1264
110	Y	A	2.6672
111	Y	A	2.9305
112	Y	A	2.5434
113	Y	A	1.4737
114	G	A	0.0813
115	M	A	0.0000
116	D	A	-1.8051
117	Y	A	0.0000
118	W	A	-0.7902
119	G	A	-1.1463
120	K	A	-2.0391
121	G	A	0.0000
122	T	A	-0.1831
123	L	A	0.8652
124	V	A	0.0000
125	T	A	-0.5432
126	V	A	0.0000
127	S	A	-1.3257
128	S	A	-1.0050