Project name: query_structure

Chain sequence(s)	A: MAQVQLLESGGGLVQPGGSLRLSCAASGFKITNKTMAWVRQAPGKGLEWVSSIGSSSGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARRKGNRLGPAALRSWGQGTLVTVSS
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                                          (00:01:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -3.189
• Maximal score value: 1.6024
• Average score: -0.6994
• Total score value: -86.7283

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	0.8784
2	A	A	0.0755
3	Q	A	-0.6342
4	V	A	0.3208
5	Q	A	-0.2406
6	L	A	0.0000
7	L	A	0.8888
8	E	A	0.2240
9	S	A	-0.3645
10	G	A	-0.6928
11	G	A	0.0978
12	G	A	0.7104
13	L	A	1.4256
14	V	A	-0.0144
15	Q	A	-1.2964
16	P	A	-1.5507
17	G	A	-1.3771
18	G	A	-0.9138
19	S	A	-1.2813
20	L	A	-1.1031
21	R	A	-2.2940
22	L	A	0.0000
23	S	A	-0.6192
24	C	A	0.0000
25	A	A	-0.1135
26	A	A	0.0000
27	S	A	-0.4414
28	G	A	-0.4160
29	F	A	-1.0067
30	K	A	-2.5433
31	I	A	0.0000
32	T	A	-1.9552
33	N	A	-2.2185
34	K	A	-2.2399
35	T	A	-1.5546
36	M	A	0.0000
37	A	A	0.0000
38	W	A	0.0000
39	V	A	0.0000
40	R	A	0.0000
41	Q	A	-0.6836
42	A	A	-1.1235
43	P	A	-1.3180
44	G	A	-1.5100
45	K	A	-2.2605
46	G	A	-1.3131
47	L	A	-0.3020
48	E	A	-0.6950
49	W	A	0.0000
50	V	A	0.0000
51	S	A	0.0000
52	S	A	0.0910
53	I	A	0.0000
54	G	A	-0.9301
55	S	A	-1.1631
56	S	A	-0.8826
57	S	A	-0.6583
58	G	A	-0.5238
59	S	A	-0.3231
60	T	A	0.1070
61	Y	A	0.2393
62	Y	A	-0.5885
63	A	A	0.0000
64	D	A	-2.3547
65	S	A	-1.7663
66	V	A	0.0000
67	K	A	-2.4786
68	G	A	-1.6952
69	R	A	-1.2541
70	F	A	0.0000
71	T	A	-0.8888
72	I	A	0.0000
73	S	A	-0.6890
74	R	A	-1.3109
75	D	A	-1.9153
76	N	A	-2.4929
77	S	A	-1.9948
78	K	A	-2.6474
79	N	A	-2.1544
80	T	A	0.0000
81	L	A	0.0000
82	Y	A	0.0000
83	L	A	0.0000
84	Q	A	-1.5765
85	M	A	0.0000
86	N	A	-1.3629
87	S	A	-1.1908
88	L	A	0.0000
89	R	A	-2.3190
90	A	A	-1.7618
91	E	A	-2.2867
92	D	A	0.0000
93	T	A	-0.3805
94	A	A	0.0000
95	V	A	0.8547
96	Y	A	0.0000
97	Y	A	0.3078
98	C	A	0.0000
99	A	A	0.0000
100	R	A	-1.3771
101	R	A	-2.2027
102	K	A	-3.1890
103	G	A	-2.6316
104	N	A	-2.4322
105	R	A	-2.2971
106	L	A	0.0397
107	G	A	0.0044
108	P	A	-0.2983
109	A	A	-0.5816
110	A	A	0.0000
111	L	A	-1.4622
112	R	A	-2.3691
113	S	A	-0.9746
114	W	A	-0.1623
115	G	A	-0.0822
116	Q	A	-0.7301
117	G	A	0.0240
118	T	A	0.5893
119	L	A	1.6024
120	V	A	0.0000
121	T	A	0.4239
122	V	A	0.0000
123	S	A	-0.6501
124	S	A	-0.5259