Project name: 8GAD

Chain sequence(s)	A: SMEEEIEEAYDLVEEAEKTGDTSLLKKAKELLDKVAEEATKSGNPILLIRVIIILIKIVRNSGDPSVAALARELLEKLEEIAEKEGNRFIEAMGEALRTQIERAL
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: -4.8453
• Maximal score value: 1.0035
• Average score: -1.6574
• Total score value: -174.0267

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
0	S	A	-1.4696
1	M	A	-2.3396
2	E	A	-2.9947
3	E	A	-3.8255
4	E	A	-3.5410
5	I	A	0.0000
6	E	A	-4.1122
7	E	A	-3.9671
8	A	A	0.0000
9	Y	A	-2.3009
10	D	A	-3.5236
11	L	A	-2.9987
12	V	A	0.0000
13	E	A	-3.7186
14	E	A	-3.5226
15	A	A	0.0000
16	E	A	-4.2554
17	K	A	-3.6556
18	T	A	-2.4736
19	G	A	-2.3595
20	D	A	-2.2293
21	T	A	-1.7600
22	S	A	-1.3436
23	L	A	-2.1013
24	L	A	-2.1680
25	K	A	-2.7328
26	K	A	-2.7506
27	A	A	0.0000
28	K	A	-2.2152
29	E	A	-2.9358
30	L	A	0.0000
31	L	A	0.0000
32	D	A	-3.0823
33	K	A	-3.5482
34	V	A	0.0000
35	A	A	0.0000
36	E	A	-3.7662
37	E	A	-3.6063
38	A	A	0.0000
39	T	A	-2.2797
40	K	A	-2.9013
41	S	A	-1.9297
42	G	A	-1.3877
43	N	A	-0.6780
44	P	A	-0.0479
45	I	A	1.0035
46	L	A	0.0000
47	L	A	0.0000
48	I	A	0.4660
49	R	A	-0.4244
50	V	A	0.0000
51	I	A	0.0000
52	I	A	0.1523
53	I	A	0.0000
54	L	A	0.0000
55	I	A	0.0000
56	K	A	-2.0851
57	I	A	0.0000
58	V	A	0.0000
59	R	A	-2.6140
60	N	A	-2.4745
61	S	A	-1.6809
62	G	A	-1.2709
63	D	A	-1.3479
64	P	A	-0.7809
65	S	A	-0.7496
66	V	A	0.0000
67	A	A	-1.4262
68	A	A	-1.2109
69	L	A	-1.4093
70	A	A	0.0000
71	R	A	-3.2780
72	E	A	-3.1213
73	L	A	0.0000
74	L	A	0.0000
75	E	A	-3.0642
76	K	A	-2.8280
77	L	A	0.0000
78	E	A	-3.7772
79	E	A	-4.1497
80	I	A	-3.3246
81	A	A	0.0000
82	E	A	-4.8453
83	K	A	-4.1931
84	E	A	-4.0914
85	G	A	-3.2336
86	N	A	-2.5282
87	R	A	-2.2800
88	F	A	0.3685
89	I	A	0.0000
90	E	A	-2.4607
91	A	A	-0.8883
92	M	A	-0.4110
93	G	A	0.0000
94	E	A	-1.5450
95	A	A	-0.8733
96	L	A	0.0000
97	R	A	-2.0909
98	T	A	-1.8268
99	Q	A	-2.1936
100	I	A	0.0000
101	E	A	-2.9423
102	R	A	-2.7387
103	A	A	-1.5295
104	L	A	0.1944