Project name: query_structure

Chain sequence(s)	A: MAQVQLVESGGGLVQAGDSLQLSCAFSGGTFSTYAMGWFRQAPGKEREFVGGISRSGATTNYEDSVKGRFTISKDNTKNTVYLQLNSLKPEDTAVYYCAARNNILPVTTIDKYEYWGQGTQVTV
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                                          (00:01:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:23)

• Minimal score value: -3.7167
• Maximal score value: 2.3866
• Average score: -0.8382
• Total score value: -103.9313

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	0.7471
2	A	A	-0.2607
3	Q	A	-1.1796
4	V	A	-1.0111
5	Q	A	-1.2361
6	L	A	0.0000
7	V	A	0.4552
8	E	A	0.0000
9	S	A	-0.5909
10	G	A	-0.7660
11	G	A	-0.6764
12	G	A	0.0549
13	L	A	1.1713
14	V	A	-0.0071
15	Q	A	-1.2875
16	A	A	-1.5039
17	G	A	-1.6209
18	D	A	-1.7093
19	S	A	-1.4083
20	L	A	-0.8038
21	Q	A	-1.4191
22	L	A	0.0000
23	S	A	-0.3384
24	C	A	0.0000
25	A	A	-0.3748
26	F	A	0.0000
27	S	A	-0.7888
28	G	A	-0.7059
29	G	A	-0.7369
30	T	A	-0.6336
31	F	A	0.0000
32	S	A	-1.2463
33	T	A	-0.6433
34	Y	A	0.0000
35	A	A	0.0000
36	M	A	0.0000
37	G	A	0.0000
38	W	A	0.0000
39	F	A	0.0000
40	R	A	-1.4838
41	Q	A	-2.3653
42	A	A	-2.1649
43	P	A	-1.4872
44	G	A	-2.0001
45	K	A	-3.4498
46	E	A	-3.7167
47	R	A	-3.0589
48	E	A	-2.1954
49	F	A	-0.6980
50	V	A	0.0000
51	G	A	0.0000
52	G	A	-0.5196
53	I	A	0.0000
54	S	A	-0.9896
55	R	A	-1.5901
56	S	A	-1.0216
57	G	A	-1.0053
58	A	A	-0.3865
59	T	A	-0.6251
60	T	A	-0.7217
61	N	A	-1.8728
62	Y	A	-1.9762
63	E	A	-2.7122
64	D	A	-3.1392
65	S	A	-1.9833
66	V	A	0.0000
67	K	A	-3.0971
68	G	A	-1.8738
69	R	A	-1.3964
70	F	A	0.0000
71	T	A	-1.0243
72	I	A	0.0000
73	S	A	-0.5982
74	K	A	-1.3926
75	D	A	-1.9960
76	N	A	-2.6294
77	T	A	-1.9400
78	K	A	-2.6716
79	N	A	-2.3322
80	T	A	0.0000
81	V	A	0.0000
82	Y	A	-0.4831
83	L	A	0.0000
84	Q	A	-1.2489
85	L	A	0.0000
86	N	A	-1.4118
87	S	A	-1.3931
88	L	A	0.0000
89	K	A	-2.3951
90	P	A	-1.8297
91	E	A	-2.3129
92	D	A	0.0000
93	T	A	-0.8952
94	A	A	0.0000
95	V	A	-0.7117
96	Y	A	0.0000
97	Y	A	-0.3904
98	C	A	0.0000
99	A	A	0.0000
100	A	A	0.0000
101	R	A	-1.3936
102	N	A	-0.8595
103	N	A	0.5576
104	I	A	2.3866
105	L	A	2.2409
106	P	A	0.9272
107	V	A	0.3731
108	T	A	-0.0687
109	T	A	-0.4109
110	I	A	-0.1274
111	D	A	-2.2269
112	K	A	-2.6621
113	Y	A	-1.7701
114	E	A	-2.3438
115	Y	A	-1.0214
116	W	A	-0.1597
117	G	A	-0.2533
118	Q	A	-0.9998
119	G	A	-0.6712
120	T	A	0.0000
121	Q	A	-1.0551
122	V	A	0.0000
123	T	A	-0.1187
124	V	A	-0.5675