Project name: F36D

Chain sequence(s)	A: TAEVMSHVTAHFGKTLEECREESGLSVDILDEFKHDWSDDFDVVHRELGCAIICMSNKFSLMDDDVRMHHVNMDEYIKSFPNGQVLAEKMVKLIHNCEKQFDTETDDCTRVVKVAACFKEDSRKEGIAPEVAMVEAVIEKY
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                                          (00:02:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:22)

• Minimal score value: -3.5839
• Maximal score value: 0.391
• Average score: -1.1677
• Total score value: -164.6463

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	-0.9715
2	A	A	-1.5282
3	E	A	-2.2572
4	V	A	0.0000
5	M	A	0.0000
6	S	A	0.0000
7	H	A	-0.8009
8	V	A	0.0000
9	T	A	0.0000
10	A	A	0.0000
11	H	A	-0.4196
12	F	A	-0.6134
13	G	A	-1.2708
14	K	A	-2.3868
15	T	A	0.0000
16	L	A	0.0000
17	E	A	-3.5151
18	E	A	-3.5839
19	C	A	0.0000
20	R	A	0.0000
21	E	A	-3.5838
22	E	A	-3.1655
23	S	A	0.0000
24	G	A	-1.8917
25	L	A	0.0000
26	S	A	-0.5917
27	V	A	-0.1894
28	D	A	-1.2634
29	I	A	-0.6869
30	L	A	0.0000
31	D	A	-2.2135
32	E	A	-2.0712
33	F	A	0.0000
34	K	A	-1.3327
35	H	A	-1.8997
36	D	A	-1.6063
37	W	A	0.0000
38	S	A	-2.1640
39	D	A	-3.1782
40	D	A	-3.0484
41	F	A	-1.8689
42	D	A	-1.9698
43	V	A	0.0000
44	V	A	0.3910
45	H	A	-0.9892
46	R	A	-2.2386
47	E	A	-1.7142
48	L	A	0.0000
49	G	A	0.0000
50	C	A	-0.8973
51	A	A	0.0000
52	I	A	-0.1679
53	I	A	-0.2053
54	C	A	-0.8920
55	M	A	0.0000
56	S	A	0.0000
57	N	A	-1.8651
58	K	A	-1.9446
59	F	A	-0.8804
60	S	A	-1.0165
61	L	A	0.0000
62	M	A	-1.6705
63	D	A	-2.4608
64	D	A	-2.9811
65	D	A	-2.9220
66	V	A	-1.7083
67	R	A	-1.6128
68	M	A	0.0000
69	H	A	-1.2492
70	H	A	-1.4030
71	V	A	-0.0295
72	N	A	-0.9442
73	M	A	-1.0780
74	D	A	-2.0468
75	E	A	-2.4600
76	Y	A	-1.2252
77	I	A	0.0000
78	K	A	-2.8042
79	S	A	-1.6457
80	F	A	-1.2513
81	P	A	-1.3826
82	N	A	-1.9528
83	G	A	0.0000
84	Q	A	-2.1881
85	V	A	-0.3602
86	L	A	0.0000
87	A	A	0.0000
88	E	A	-2.6535
89	K	A	-1.9410
90	M	A	0.0000
91	V	A	-1.5988
92	K	A	-2.5138
93	L	A	0.0000
94	I	A	-1.1881
95	H	A	-2.1509
96	N	A	-2.3290
97	C	A	0.0000
98	E	A	0.0000
99	K	A	-2.8549
100	Q	A	-2.4736
101	F	A	-1.4936
102	D	A	-1.8821
103	T	A	-1.0576
104	E	A	-1.1593
105	T	A	-0.9409
106	D	A	-1.5456
107	D	A	-1.7618
108	C	A	-1.2687
109	T	A	-1.2541
110	R	A	0.0000
111	V	A	0.0000
112	V	A	0.0000
113	K	A	-0.8103
114	V	A	0.0000
115	A	A	-0.1700
116	A	A	-0.6465
117	C	A	-0.9691
118	F	A	-1.0647
119	K	A	0.0000
120	E	A	-2.8305
121	D	A	-2.7648
122	S	A	0.0000
123	R	A	-3.0413
124	K	A	-3.4572
125	E	A	-3.0393
126	G	A	-1.9631
127	I	A	0.0000
128	A	A	-1.8617
129	P	A	0.0000
130	E	A	-2.3437
131	V	A	-1.1217
132	A	A	-0.6209
133	M	A	-0.9079
134	V	A	0.0000
135	E	A	-1.5740
136	A	A	-0.9019
137	V	A	0.0000
138	I	A	-0.8498
139	E	A	-2.1129
140	K	A	-1.8181
141	Y	A	0.1593