Project name: M73E

Chain sequence(s)	A: TAEVMSHVTAHFGKTLEECREESGLSVDILDEFKHFWSDDFDVVHRELGCAIICMSNKFSLMDDDVRMHHVNEDEYIKSFPNGQVLAEKMVKLIHNCEKQFDTETDDCTRVVKVAACFKEDSRKEGIAPEVAMVEAVIEKY
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                                          (00:02:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:19)

• Minimal score value: -4.1509
• Maximal score value: 0.5463
• Average score: -1.1959
• Total score value: -168.6194

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	T	A	-1.1238
2	A	A	-1.6342
3	E	A	-2.2127
4	V	A	0.0000
5	M	A	0.0000
6	S	A	0.0000
7	H	A	-0.6622
8	V	A	0.0000
9	T	A	0.0000
10	A	A	0.0000
11	H	A	-0.3663
12	F	A	-0.6303
13	G	A	-1.2157
14	K	A	-2.2425
15	T	A	0.0000
16	L	A	0.0000
17	E	A	-3.5014
18	E	A	-3.5822
19	C	A	0.0000
20	R	A	0.0000
21	E	A	-3.5764
22	E	A	-3.1640
23	S	A	0.0000
24	G	A	-1.8197
25	L	A	0.0000
26	S	A	-0.5236
27	V	A	-0.1506
28	D	A	-1.3095
29	I	A	-0.5994
30	L	A	0.0000
31	D	A	-2.1503
32	E	A	-2.1607
33	F	A	0.0000
34	K	A	-1.2294
35	H	A	-1.7935
36	F	A	0.0000
37	W	A	0.0000
38	S	A	-2.1070
39	D	A	-3.5251
40	D	A	-3.0389
41	F	A	-1.8223
42	D	A	-1.9474
43	V	A	0.0000
44	V	A	0.4810
45	H	A	-0.8015
46	R	A	-1.8388
47	E	A	-1.5066
48	L	A	0.0000
49	G	A	0.0000
50	C	A	-0.8373
51	A	A	0.0000
52	I	A	-0.1640
53	I	A	-0.2377
54	C	A	-0.9342
55	M	A	0.0000
56	S	A	0.0000
57	N	A	-2.0552
58	K	A	-2.0823
59	F	A	-0.9771
60	S	A	-1.3720
61	L	A	0.0000
62	M	A	-2.1239
63	D	A	-3.2961
64	D	A	-3.4743
65	D	A	-3.2589
66	V	A	-2.1125
67	R	A	-2.1682
68	M	A	0.0000
69	H	A	-1.2547
70	H	A	-0.8337
71	V	A	0.5463
72	N	A	-0.7313
73	E	A	0.0000
74	D	A	-1.9432
75	E	A	-2.3470
76	Y	A	-1.1885
77	I	A	0.0000
78	K	A	-3.0023
79	S	A	-1.7134
80	F	A	-1.2611
81	P	A	-1.4276
82	N	A	-2.0708
83	G	A	0.0000
84	Q	A	-2.4789
85	V	A	-0.8685
86	L	A	0.0000
87	A	A	0.0000
88	E	A	-2.9760
89	K	A	-2.4156
90	M	A	0.0000
91	V	A	0.0000
92	K	A	-2.7445
93	L	A	-1.7261
94	I	A	-1.1852
95	H	A	-2.0615
96	N	A	-2.3489
97	C	A	0.0000
98	E	A	0.0000
99	K	A	-3.1195
100	Q	A	-2.6814
101	F	A	-1.8651
102	D	A	-2.6243
103	T	A	-1.4144
104	E	A	-1.3635
105	T	A	-1.0054
106	D	A	-1.4099
107	D	A	-1.6422
108	C	A	-1.0978
109	T	A	-1.0724
110	R	A	0.0000
111	V	A	0.0000
112	V	A	0.0000
113	K	A	-0.8314
114	V	A	0.0000
115	A	A	0.0000
116	A	A	-0.6710
117	C	A	-0.9976
118	F	A	0.0000
119	K	A	0.0000
120	E	A	-3.3084
121	D	A	-2.9758
122	S	A	0.0000
123	R	A	-4.1509
124	K	A	-3.9667
125	E	A	-3.3799
126	G	A	-2.3340
127	I	A	0.0000
128	A	A	-2.2804
129	P	A	0.0000
130	E	A	-2.2428
131	V	A	-1.1184
132	A	A	-0.5691
133	M	A	-0.7652
134	V	A	0.0000
135	E	A	-1.2910
136	A	A	-0.7904
137	V	A	0.0000
138	I	A	-0.7787
139	E	A	-2.0875
140	K	A	-1.8046
141	Y	A	-0.0985