Project name: query_structure

Chain sequence(s)	A: MAQVQLVEKGGGKVRAGGKLRLRCTASGGSEYSYSTFSLGWFRQAPGQEREAVAAIASMGGLTYYADSVKGRFKIKRDNAKNTVTLRMNNLKPEDTAIYYCAAVRGYFMRLPSSHNFRYWGQGTRVTVSR
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                                          (00:03:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:43)

• Minimal score value: -3.5025
• Maximal score value: 1.9251
• Average score: -1.0714
• Total score value: -139.277

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	0.6949
2	A	A	-0.3570
3	Q	A	-1.2559
4	V	A	-1.1184
5	Q	A	-1.4948
6	L	A	0.0000
7	V	A	-0.6102
8	E	A	0.0000
9	K	A	-2.7232
10	G	A	-2.5005
11	G	A	-2.2418
12	G	A	-2.0075
13	K	A	-2.3845
14	V	A	-2.2050
15	R	A	-3.2075
16	A	A	-2.8652
17	G	A	-2.1839
18	G	A	-2.3782
19	K	A	-3.3279
20	L	A	-2.6714
21	R	A	-3.5025
22	L	A	0.0000
23	R	A	-2.5557
24	C	A	0.0000
25	T	A	-1.0471
26	A	A	-0.6342
27	S	A	-0.8229
28	G	A	-1.3880
29	G	A	-1.4545
30	S	A	-1.3759
31	E	A	-2.0696
32	Y	A	-1.5725
33	S	A	-1.1618
34	Y	A	0.0000
35	S	A	-0.1295
36	T	A	-0.3756
37	F	A	0.0000
38	S	A	0.0000
39	L	A	0.0000
40	G	A	0.0000
41	W	A	0.0000
42	F	A	0.0000
43	R	A	-1.1041
44	Q	A	-1.6358
45	A	A	-1.6785
46	P	A	-1.1429
47	G	A	-1.6667
48	Q	A	-2.7145
49	E	A	-3.0921
50	R	A	-2.2285
51	E	A	-1.6738
52	A	A	0.0000
53	V	A	0.0000
54	A	A	0.0000
55	A	A	0.0000
56	I	A	0.0000
57	A	A	0.0000
58	S	A	0.0000
59	M	A	1.0110
60	G	A	0.2264
61	G	A	0.4794
62	L	A	1.3432
63	T	A	0.3532
64	Y	A	0.1518
65	Y	A	-0.9321
66	A	A	0.0000
67	D	A	-2.4265
68	S	A	-1.8294
69	V	A	0.0000
70	K	A	-2.7397
71	G	A	-2.1571
72	R	A	-2.4808
73	F	A	0.0000
74	K	A	-2.5437
75	I	A	0.0000
76	K	A	-1.9871
77	R	A	0.0000
78	D	A	-1.4707
79	N	A	-1.5172
80	A	A	-1.3316
81	K	A	-2.1496
82	N	A	-1.4675
83	T	A	-1.3988
84	V	A	0.0000
85	T	A	-2.0927
86	L	A	0.0000
87	R	A	-3.2090
88	M	A	0.0000
89	N	A	-3.2362
90	N	A	-2.8008
91	L	A	0.0000
92	K	A	-2.8507
93	P	A	-2.1360
94	E	A	-2.1993
95	D	A	0.0000
96	T	A	-1.2895
97	A	A	0.0000
98	I	A	-0.4333
99	Y	A	0.0000
100	Y	A	-0.3346
101	C	A	0.0000
102	A	A	0.0000
103	A	A	0.0000
104	V	A	-1.1989
105	R	A	-1.7062
106	G	A	0.3978
107	Y	A	1.9251
108	F	A	1.7159
109	M	A	0.6796
110	R	A	-1.1698
111	L	A	-0.7528
112	P	A	-0.9534
113	S	A	-1.3442
114	S	A	-1.6501
115	H	A	-2.0482
116	N	A	-2.4400
117	F	A	0.0000
118	R	A	-2.4098
119	Y	A	-1.1755
120	W	A	-0.3728
121	G	A	-0.4869
122	Q	A	-1.2831
123	G	A	-1.0348
124	T	A	-1.6087
125	R	A	-2.3411
126	V	A	0.0000
127	T	A	-1.8746
128	V	A	0.0000
129	S	A	-2.2970
130	R	A	-2.5339