Project name: I94D

Chain sequence(s)	A: TAEVMSHVTAHFGKTLEECREESGLSVDILDEFKHFWSDDFDVVHRELGCAIICMSNKFSLMDDDVRMHHVNMDEYIKSFPNGQVLAEKMVKLDHNCEKQFDTETDDCTRVVKVAACFKEDSRKEGIAPEVAMVEAVIEKY
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                                          (00:02:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:17)

• Minimal score value: -4.1362
• Maximal score value: 0.6768
• Average score: -1.1608
• Total score value: -163.6764

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	-0.9416
2	A	A	-1.6717
3	E	A	-2.2434
4	V	A	0.0000
5	M	A	0.0000
6	S	A	0.0000
7	H	A	-0.7839
8	V	A	0.0000
9	T	A	0.0000
10	A	A	0.0000
11	H	A	-0.4985
12	F	A	-0.6213
13	G	A	-1.2378
14	K	A	-2.4107
15	T	A	0.0000
16	L	A	0.0000
17	E	A	-3.6873
18	E	A	-3.7262
19	C	A	0.0000
20	R	A	0.0000
21	E	A	-3.5657
22	E	A	-3.3631
23	S	A	0.0000
24	G	A	-1.8358
25	L	A	0.0000
26	S	A	-0.5367
27	V	A	-0.1742
28	D	A	-1.3131
29	I	A	-0.5986
30	L	A	0.0000
31	D	A	-2.1427
32	E	A	-2.1794
33	F	A	0.0000
34	K	A	-1.2802
35	H	A	-1.8054
36	F	A	0.0000
37	W	A	0.0000
38	S	A	-2.1204
39	D	A	-3.5388
40	D	A	-3.0404
41	F	A	-1.8221
42	D	A	-1.9417
43	V	A	0.0000
44	V	A	0.4892
45	H	A	-0.7720
46	R	A	-1.8263
47	E	A	-1.5102
48	L	A	0.0000
49	G	A	0.0000
50	C	A	-0.8611
51	A	A	0.0000
52	I	A	-0.1606
53	I	A	-0.2249
54	C	A	-0.9526
55	M	A	0.0000
56	S	A	0.0000
57	N	A	-1.8103
58	K	A	-1.9853
59	F	A	-0.8228
60	S	A	-0.9439
61	L	A	0.0000
62	M	A	-1.6078
63	D	A	-2.3538
64	D	A	-2.9925
65	D	A	-2.9351
66	V	A	-1.7294
67	R	A	-1.8522
68	M	A	0.0000
69	H	A	-0.8994
70	H	A	-0.7011
71	V	A	0.6768
72	N	A	-0.5675
73	M	A	-0.7994
74	D	A	-1.8141
75	E	A	-2.2533
76	Y	A	-1.1038
77	I	A	0.0000
78	K	A	-2.7695
79	S	A	-1.6418
80	F	A	-1.2514
81	P	A	-1.3535
82	N	A	-1.8878
83	G	A	0.0000
84	Q	A	-2.1033
85	V	A	-0.1748
86	L	A	0.0000
87	A	A	0.0000
88	E	A	-2.7806
89	K	A	-2.2999
90	M	A	0.0000
91	V	A	0.0000
92	K	A	-2.9017
93	L	A	0.0000
94	D	A	-1.7100
95	H	A	-2.4138
96	N	A	-2.6845
97	C	A	0.0000
98	E	A	0.0000
99	K	A	-3.2230
100	Q	A	-2.7335
101	F	A	-1.9078
102	D	A	-2.5603
103	T	A	-1.3949
104	E	A	-1.3680
105	T	A	-1.0118
106	D	A	-1.4269
107	D	A	-1.6331
108	C	A	-1.1130
109	T	A	-1.0861
110	R	A	0.0000
111	V	A	0.0000
112	V	A	0.0000
113	K	A	-0.8543
114	V	A	0.0000
115	A	A	0.0000
116	A	A	-0.6879
117	C	A	-1.1306
118	F	A	0.0000
119	K	A	0.0000
120	E	A	-3.3619
121	D	A	-3.0694
122	S	A	0.0000
123	R	A	-4.1362
124	K	A	-3.9192
125	E	A	-3.2714
126	G	A	-2.2796
127	I	A	0.0000
128	A	A	-2.2587
129	P	A	0.0000
130	E	A	-2.2741
131	V	A	-1.1529
132	A	A	-0.6049
133	M	A	-0.8421
134	V	A	0.0000
135	E	A	-1.4832
136	A	A	-0.8926
137	V	A	0.0000
138	I	A	-0.8460
139	E	A	-2.0967
140	K	A	-1.8148
141	Y	A	0.1252