Project name: MPZ_WT

Chain sequence(s)	A: IVVYTDREVHGAVGSRVTLHHCSFWSSEWVSDDISFTWRYQPEGGRDAISIFHYAKGQPYIDEVGTFKERIQWVGDPRWKDGSIVIHNLDYSDNGTFTCDVKNPPDIVGKTSQVTLYVFEKV
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:01)

• Minimal score value: -3.3754
• Maximal score value: 2.0644
• Average score: -0.7201
• Total score value: -87.1296

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	I	A	1.9471
2	V	A	1.8963
3	V	A	1.0623
4	Y	A	0.3510
5	T	A	-1.4512
6	D	A	-3.0977
7	R	A	-3.3754
8	E	A	-2.5508
9	V	A	-1.3187
10	H	A	-0.4905
11	G	A	0.0000
12	A	A	-0.8370
13	V	A	-1.1194
14	G	A	-1.7448
15	S	A	-1.8784
16	R	A	-2.5292
17	V	A	-1.1563
18	T	A	-0.7376
19	L	A	0.0000
20	H	A	-1.1029
21	C	A	0.0000
22	S	A	0.5229
23	F	A	0.0000
24	W	A	2.0010
25	S	A	1.0505
26	S	A	-0.0893
27	E	A	-0.7968
28	W	A	0.3987
29	V	A	0.1521
30	S	A	-1.1910
31	D	A	-2.8645
32	D	A	-2.6809
33	I	A	0.0000
34	S	A	-1.4759
35	F	A	0.0000
36	T	A	0.0000
37	W	A	0.0000
38	R	A	-1.1411
39	Y	A	0.0000
40	Q	A	-2.0890
41	P	A	-2.0248
42	E	A	-2.5063
43	G	A	-2.1679
44	G	A	-2.5499
45	R	A	-3.2129
46	D	A	-2.8398
47	A	A	-1.4432
48	I	A	-0.5209
49	S	A	-0.4881
50	I	A	0.0000
51	F	A	0.0000
52	H	A	-0.2806
53	Y	A	0.0000
54	A	A	-1.6990
55	K	A	-2.7310
56	G	A	-2.3607
57	Q	A	-1.6198
58	P	A	-0.4238
59	Y	A	0.4917
60	I	A	-0.0436
61	D	A	-1.1099
62	E	A	-1.8055
63	V	A	0.1523
64	G	A	-0.3339
65	T	A	-0.5672
66	F	A	0.0000
67	K	A	-2.1444
68	E	A	-2.8091
69	R	A	-2.2992
70	I	A	-1.3720
71	Q	A	-0.6183
72	W	A	0.4205
73	V	A	0.5783
74	G	A	-0.0138
75	D	A	0.0000
76	P	A	-1.7150
77	R	A	-2.0542
78	W	A	-0.0866
79	K	A	-0.5723
80	D	A	-0.1629
81	G	A	0.0000
82	S	A	0.0000
83	I	A	0.0000
84	V	A	0.0000
85	I	A	0.0000
86	H	A	-2.1909
87	N	A	-2.5529
88	L	A	0.0000
89	D	A	-1.2780
90	Y	A	0.5940
91	S	A	-0.1815
92	D	A	0.0000
93	N	A	-0.4826
94	G	A	0.0000
95	T	A	-1.4943
96	F	A	0.0000
97	T	A	-1.0482
98	C	A	0.0000
99	D	A	-0.9794
100	V	A	0.0000
101	K	A	-0.6544
102	N	A	-1.1880
103	P	A	-0.9603
104	P	A	-0.5590
105	D	A	0.1383
106	I	A	2.0644
107	V	A	1.7433
108	G	A	0.0879
109	K	A	-0.8417
110	T	A	-0.7912
111	S	A	-1.1120
112	Q	A	-2.1252
113	V	A	0.0000
114	T	A	-1.6301
115	L	A	0.0000
116	Y	A	0.3542
117	V	A	0.0000
118	F	A	-0.0796
119	E	A	-1.7676
120	K	A	-1.5357
121	V	A	0.6112