Project name: query_structure

Chain sequence(s)	A: MASGAAGGGLGEGLVQAGGSLRLSCAASGRTFNSYPMAWFRQAPGKEREFVAALGWSGGSTDYADSVKGRFTISRDNSKNTVYLEMNSLKPDDTGVYYCALRRRGGVYNTYSGEKDYDYWGQGTQVTVS
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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -3.2971
• Maximal score value: 1.6024
• Average score: -0.907
• Total score value: -117.0033

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	0.9117
2	A	A	0.0000
3	S	A	-0.2885
4	G	A	-0.5983
5	A	A	-0.9813
6	A	A	-1.4132
7	G	A	-1.6092
8	G	A	-1.0965
9	G	A	-0.2401
10	L	A	0.8836
11	G	A	-0.3528
12	E	A	-1.7475
13	G	A	-0.5403
14	L	A	0.7447
15	V	A	-0.1532
16	Q	A	-1.1935
17	A	A	-1.3182
18	G	A	-1.2579
19	G	A	-1.0510
20	S	A	-1.3999
21	L	A	0.0000
22	R	A	-2.2233
23	L	A	0.0000
24	S	A	-0.6537
25	C	A	0.0000
26	A	A	-0.6581
27	A	A	-0.5894
28	S	A	-0.7495
29	G	A	-1.4477
30	R	A	-2.4034
31	T	A	-1.8946
32	F	A	0.0000
33	N	A	-2.0471
34	S	A	-1.4462
35	Y	A	-1.1040
36	P	A	-0.7208
37	M	A	0.0000
38	A	A	0.0000
39	W	A	0.0000
40	F	A	0.0000
41	R	A	0.0000
42	Q	A	-1.9077
43	A	A	-1.9630
44	P	A	-1.3769
45	G	A	-1.9089
46	K	A	-3.2295
47	E	A	-3.2971
48	R	A	-2.4768
49	E	A	-1.8180
50	F	A	-0.7678
51	V	A	0.0000
52	A	A	0.0000
53	A	A	0.0000
54	L	A	0.0000
55	G	A	-0.4322
56	W	A	-0.3108
57	S	A	-0.5618
58	G	A	-0.7787
59	G	A	-0.6224
60	S	A	-0.7195
61	T	A	-0.5513
62	D	A	-0.9637
63	Y	A	-1.1585
64	A	A	-1.5092
65	D	A	-2.5114
66	S	A	-1.8070
67	V	A	0.0000
68	K	A	-2.7187
69	G	A	-1.7634
70	R	A	-1.5075
71	F	A	0.0000
72	T	A	-1.0881
73	I	A	0.0000
74	S	A	-0.6846
75	R	A	-1.3261
76	D	A	-2.1762
77	N	A	-2.6789
78	S	A	-2.1216
79	K	A	-2.6902
80	N	A	-2.6684
81	T	A	-1.6268
82	V	A	0.0000
83	Y	A	-0.7383
84	L	A	0.0000
85	E	A	-1.7867
86	M	A	0.0000
87	N	A	-1.4052
88	S	A	-1.1496
89	L	A	0.0000
90	K	A	-2.0548
91	P	A	-1.8101
92	D	A	-2.2549
93	D	A	0.0000
94	T	A	-0.9091
95	G	A	0.0000
96	V	A	-0.5851
97	Y	A	0.0000
98	Y	A	-0.3968
99	C	A	0.0000
100	A	A	0.0000
101	L	A	0.0000
102	R	A	0.0000
103	R	A	-3.1808
104	R	A	-2.7324
105	G	A	-1.3409
106	G	A	-0.4820
107	V	A	1.6024
108	Y	A	1.3319
109	N	A	-0.3563
110	T	A	-0.0426
111	Y	A	-0.2213
112	S	A	-0.6729
113	G	A	-1.5445
114	E	A	-2.4850
115	K	A	-2.8032
116	D	A	-2.3714
117	Y	A	0.0000
118	D	A	-1.8666
119	Y	A	0.1414
120	W	A	0.1341
121	G	A	-0.1279
122	Q	A	-1.1713
123	G	A	-0.8566
124	T	A	0.0000
125	Q	A	-1.3830
126	V	A	0.0000
127	T	A	-0.4157
128	V	A	0.0000
129	S	A	-0.7062