Project name: 7381b61bd751647

Chain sequence(s)	A: MAVLVLLFCLVTFPSCVLSQVQLKQSGPGLVQPSQSLSITCTVSGFSLTSYGVHWVRQPPGKGLEWLGVIWSGGSTDYNAAFISRLSISKDNSKSQVFFKMNSLQADDTAIYYCAK
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]                                                (00:00:06)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:07)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:07)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:07)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:07)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:43)

• Minimal score value: -2.4929
• Maximal score value: 5.6431
• Average score: 0.1215
• Total score value: 14.0984

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	2.3856
2	A	A	2.6856
3	V	A	4.0345
4	L	A	4.1760
5	V	A	5.0530
6	L	A	5.2501
7	L	A	5.1246
8	F	A	5.6431
9	C	A	4.6874
10	L	A	4.6277
11	V	A	4.2049
12	T	A	2.9102
13	F	A	3.0762
14	P	A	1.5618
15	S	A	1.6627
16	C	A	2.1839
17	V	A	2.5245
18	L	A	2.2427
19	S	A	0.6045
20	Q	A	-0.5313
21	V	A	-0.3082
22	Q	A	-1.6368
23	L	A	-1.2122
24	K	A	-2.1332
25	Q	A	-1.5057
26	S	A	-1.1552
27	G	A	-0.6264
28	P	A	-0.1458
29	G	A	0.1357
30	L	A	1.0885
31	V	A	-0.0513
32	Q	A	-1.3745
33	P	A	-1.7926
34	S	A	-1.7156
35	Q	A	-2.1395
36	S	A	-1.9570
37	L	A	0.0000
38	S	A	-1.0392
39	I	A	0.0000
40	T	A	-0.7764
41	C	A	0.0000
42	T	A	-1.3322
43	V	A	0.0000
44	S	A	-0.8415
45	G	A	-0.4343
46	F	A	-0.1931
47	S	A	-0.2606
48	L	A	0.0000
49	T	A	-0.3473
50	S	A	0.2464
51	Y	A	0.5907
52	G	A	-0.0370
53	V	A	0.0000
54	H	A	-0.4505
55	W	A	0.0000
56	V	A	0.9183
57	R	A	0.0000
58	Q	A	0.2452
59	P	A	0.0000
60	P	A	-1.0388
61	G	A	-1.5594
62	K	A	-2.0637
63	G	A	-0.8796
64	L	A	0.9674
65	E	A	-0.0246
66	W	A	0.5067
67	L	A	0.0000
68	G	A	0.0000
69	V	A	0.0000
70	I	A	0.0000
71	W	A	-0.0043
72	S	A	-0.0588
73	G	A	-0.4056
74	G	A	-0.6977
75	S	A	-0.6104
76	T	A	-0.7426
77	D	A	-0.9301
78	Y	A	0.1110
79	N	A	0.1608
80	A	A	0.4793
81	A	A	0.4753
82	F	A	0.0000
83	I	A	1.5620
84	S	A	0.3496
85	R	A	-0.6195
86	L	A	0.0000
87	S	A	-0.5345
88	I	A	0.0000
89	S	A	-0.6627
90	K	A	-1.1846
91	D	A	-1.8479
92	N	A	-2.3720
93	S	A	-1.8812
94	K	A	-2.4929
95	S	A	-1.7532
96	Q	A	-1.6122
97	V	A	0.0000
98	F	A	-0.3406
99	F	A	0.0000
100	K	A	-1.7494
101	M	A	0.0000
102	N	A	-2.3958
103	S	A	-1.8115
104	L	A	0.0000
105	Q	A	-2.4171
106	A	A	-1.6481
107	D	A	-2.2303
108	D	A	0.0000
109	T	A	-0.3357
110	A	A	0.4199
111	I	A	2.1824
112	Y	A	1.2792
113	Y	A	0.8521
114	C	A	0.0000
115	A	A	-0.8083
116	K	A	-1.4006