Project name: query_structure

Chain sequence(s)	A: MAQVQLVESGGGLVQAGGSLRLSCAASGRTFSNYAMGWFRQAPGKEREFVAAISWTGVSTYYADSVKGRFTISRDNDKNTVYVQMNSLIPEDTAIYYCAAVRARSFSDTYSRVNEYDYWGQGTQVTV
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                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -3.5422
• Maximal score value: 1.674
• Average score: -0.7907
• Total score value: -100.42

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	0.7734
2	A	A	-0.3694
3	Q	A	-1.0629
4	V	A	-0.8397
5	Q	A	-0.7670
6	L	A	0.0000
7	V	A	1.2116
8	E	A	0.0684
9	S	A	-0.5056
10	G	A	-1.0641
11	G	A	-0.8161
12	G	A	0.0448
13	L	A	1.2227
14	V	A	0.5004
15	Q	A	-0.6553
16	A	A	-0.5006
17	G	A	-0.7140
18	G	A	-0.4663
19	S	A	-0.9423
20	L	A	-0.9489
21	R	A	-2.1292
22	L	A	0.0000
23	S	A	-0.4308
24	C	A	0.0000
25	A	A	-0.1316
26	A	A	-0.6565
27	S	A	-1.0403
28	G	A	-1.6083
29	R	A	-2.2910
30	T	A	-1.6421
31	F	A	0.0000
32	S	A	-1.8810
33	N	A	-2.0182
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	0.0000
41	Q	A	-1.7022
42	A	A	-1.7809
43	P	A	-1.3189
44	G	A	-1.8706
45	K	A	-3.0880
46	E	A	-3.1884
47	R	A	-2.0072
48	E	A	-1.4366
49	F	A	-0.6275
50	V	A	0.0000
51	A	A	0.0000
52	A	A	0.0000
53	I	A	0.0000
54	S	A	0.0000
55	W	A	-0.3156
56	T	A	0.2400
57	G	A	0.4618
58	V	A	1.6740
59	S	A	0.8373
60	T	A	0.5665
61	Y	A	0.0173
62	Y	A	-0.6459
63	A	A	-1.2725
64	D	A	-2.4080
65	S	A	-1.7921
66	V	A	0.0000
67	K	A	-2.5779
68	G	A	-1.7803
69	R	A	-1.3757
70	F	A	0.0000
71	T	A	-0.8284
72	I	A	0.0000
73	S	A	-0.3243
74	R	A	-1.1447
75	D	A	-2.5220
76	N	A	-3.0782
77	D	A	-3.5422
78	K	A	-3.3940
79	N	A	-2.8293
80	T	A	-1.4494
81	V	A	0.0000
82	Y	A	-0.6571
83	V	A	0.0000
84	Q	A	-1.2425
85	M	A	0.0000
86	N	A	-1.1916
87	S	A	-0.7294
88	L	A	0.0000
89	I	A	-0.0973
90	P	A	-0.7474
91	E	A	-1.5913
92	D	A	0.0000
93	T	A	-0.4026
94	A	A	0.0000
95	I	A	-0.4258
96	Y	A	0.0000
97	Y	A	-0.1591
98	C	A	0.0000
99	A	A	0.0000
100	A	A	0.0000
101	V	A	0.0000
102	R	A	-2.2226
103	A	A	-1.7128
104	R	A	-2.5883
105	S	A	-1.9452
106	F	A	0.0000
107	S	A	-1.3131
108	D	A	-2.4666
109	T	A	-2.1431
110	Y	A	-0.9030
111	S	A	-1.2118
112	R	A	-2.4972
113	V	A	-1.4506
114	N	A	-2.2354
115	E	A	-2.5740
116	Y	A	0.0000
117	D	A	-1.3287
118	Y	A	-0.4688
119	W	A	0.0979
120	G	A	-0.0570
121	Q	A	-0.8541
122	G	A	-0.5476
123	T	A	0.0000
124	Q	A	-0.9739
125	V	A	0.0000
126	T	A	0.1982
127	V	A	0.1856