Project name: query_structure

Chain sequence(s)	A: MAQVQLVESGGGLVQAGGSLRLSCAASGRTYSISAMGWFRQAPGKEREFVAGISRSGGTTYYADPVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAARARGWTTFPAREIEYDYWGQGTQVTV
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                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:32)

• Minimal score value: -3.3335
• Maximal score value: 1.229
• Average score: -0.7667
• Total score value: -96.6049

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	0.4339
2	A	A	-0.7379
3	Q	A	-1.7435
4	V	A	-1.6443
5	Q	A	-1.5708
6	L	A	0.0000
7	V	A	0.5504
8	E	A	-0.1052
9	S	A	-0.6287
10	G	A	-1.0194
11	G	A	-0.8232
12	G	A	0.0483
13	L	A	1.2290
14	V	A	0.2943
15	Q	A	-0.9478
16	A	A	-1.1334
17	G	A	-1.1810
18	G	A	-0.7378
19	S	A	-1.1869
20	L	A	-1.0402
21	R	A	-2.2571
22	L	A	0.0000
23	S	A	-0.5698
24	C	A	0.0000
25	A	A	-0.3421
26	A	A	0.0000
27	S	A	-1.2278
28	G	A	-1.6526
29	R	A	-1.9144
30	T	A	0.0000
31	Y	A	0.1297
32	S	A	-0.6440
33	I	A	0.0000
34	S	A	-0.8411
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	0.0000
41	Q	A	-1.9689
42	A	A	-1.8720
43	P	A	-1.3201
44	G	A	-1.7856
45	K	A	-2.9117
46	E	A	-3.3335
47	R	A	-2.7005
48	E	A	-1.7470
49	F	A	-0.8650
50	V	A	0.0000
51	A	A	0.0000
52	G	A	0.0000
53	I	A	0.0000
54	S	A	-0.8269
55	R	A	-1.7089
56	S	A	-1.2950
57	G	A	-1.2836
58	G	A	-0.8942
59	T	A	-0.4489
60	T	A	0.0771
61	Y	A	0.1715
62	Y	A	-0.5577
63	A	A	-1.1748
64	D	A	-2.3752
65	P	A	-1.8329
66	V	A	0.0000
67	K	A	-2.5292
68	G	A	-1.7352
69	R	A	-1.4479
70	F	A	0.0000
71	T	A	-0.8895
72	I	A	0.0000
73	S	A	-0.6866
74	R	A	-1.4657
75	D	A	-2.0965
76	N	A	-2.3887
77	A	A	-1.6995
78	K	A	-2.4711
79	N	A	-1.7410
80	T	A	0.0000
81	V	A	0.0000
82	Y	A	-0.7425
83	L	A	0.0000
84	Q	A	-1.5720
85	M	A	0.0000
86	N	A	-1.3416
87	S	A	-1.1063
88	L	A	0.0000
89	K	A	-2.0216
90	P	A	-1.6774
91	E	A	-2.2312
92	D	A	0.0000
93	T	A	-0.7910
94	A	A	0.0000
95	V	A	-0.6722
96	Y	A	0.0000
97	Y	A	-0.2826
98	C	A	0.0000
99	A	A	0.0000
100	A	A	0.0000
101	R	A	-1.1804
102	A	A	-1.5048
103	R	A	-1.8554
104	G	A	-0.5684
105	W	A	0.7316
106	T	A	0.1770
107	T	A	0.0455
108	F	A	-0.0472
109	P	A	-0.5252
110	A	A	0.0000
111	R	A	-1.4830
112	E	A	-0.8050
113	I	A	0.7193
114	E	A	-0.5025
115	Y	A	0.0000
116	D	A	-1.7071
117	Y	A	-0.9348
118	W	A	-0.2853
119	G	A	-0.3098
120	Q	A	-1.0127
121	G	A	-0.6803
122	T	A	0.0000
123	Q	A	-1.0361
124	V	A	0.0000
125	T	A	-0.0349
126	V	A	-0.2989