Project name: 5EE

Chain sequence(s)	A: AARVEQTPTTTTKEAGESLTINCVLKGSNCALDSTYWYFTKKGATKKARLSTGGRYSDTKNTASKSFSLRISDLRVEDSGTYHCEAKSYTAGLGGSCSRTRYSEGGGTILTVKP
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -2.9898
• Maximal score value: 0.9399
• Average score: -0.9923
• Total score value: -113.121

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	A	A	-0.7329
2	A	A	-1.9539
3	R	A	-2.9898
4	V	A	0.0000
5	E	A	-2.4480
6	Q	A	0.0000
7	T	A	-0.5372
8	P	A	-0.2638
9	T	A	-0.1179
10	T	A	0.4070
11	T	A	0.1442
12	T	A	-0.6598
13	K	A	-1.9349
14	E	A	-2.9548
15	A	A	-2.4462
16	G	A	-2.1994
17	E	A	-2.4116
18	S	A	-1.8291
19	L	A	0.0000
20	T	A	-1.1650
21	I	A	0.0000
22	N	A	-1.0923
23	C	A	0.0000
24	V	A	-1.3009
25	L	A	0.0000
26	K	A	-2.4450
27	G	A	-1.7317
28	S	A	-1.5938
29	N	A	-1.5063
30	C	A	0.0000
31	A	A	-0.4633
32	L	A	0.0000
33	D	A	-1.0853
34	S	A	-0.4772
35	T	A	-0.5570
36	Y	A	-0.3521
37	W	A	0.0000
38	Y	A	-0.8815
39	F	A	-1.0252
40	T	A	-1.7525
41	K	A	-2.4429
42	K	A	-2.3613
43	G	A	-1.7261
44	A	A	-1.7141
45	T	A	-1.6233
46	K	A	-2.3909
47	K	A	-2.3065
48	A	A	-1.8009
49	R	A	-1.8584
50	L	A	-0.7994
51	S	A	-0.7582
52	T	A	-1.1002
53	G	A	-0.9977
54	G	A	-0.9103
55	R	A	-1.3984
56	Y	A	-1.3862
57	S	A	-1.6799
58	D	A	-1.9983
59	T	A	-1.6727
60	K	A	-1.9044
61	N	A	-1.5895
62	T	A	-1.0345
63	A	A	-0.5522
64	S	A	-0.8035
65	K	A	-1.1656
66	S	A	-1.0976
67	F	A	0.0000
68	S	A	-1.3870
69	L	A	0.0000
70	R	A	-2.3599
71	I	A	0.0000
72	S	A	-1.7592
73	D	A	-2.1126
74	L	A	0.0000
75	R	A	-2.4199
76	V	A	-1.4967
77	E	A	-2.3911
78	D	A	0.0000
79	S	A	0.0000
80	G	A	0.0000
81	T	A	-0.2345
82	Y	A	0.0000
83	H	A	-0.5544
84	C	A	0.0000
85	E	A	-0.6872
86	A	A	0.0000
87	K	A	-0.7534
88	S	A	0.0000
89	Y	A	-0.9308
90	T	A	-1.1472
91	A	A	-0.5864
92	G	A	-0.1904
93	L	A	0.8809
94	G	A	-0.0381
95	G	A	-0.5004
96	S	A	-0.5428
97	C	A	-0.3452
98	S	A	-1.0287
99	R	A	-2.0718
100	T	A	-1.6113
101	R	A	-2.1178
102	Y	A	-0.5905
103	S	A	0.0000
104	E	A	-1.6339
105	G	A	0.0000
106	G	A	-1.1979
107	G	A	0.0000
108	T	A	0.0000
109	I	A	0.9399
110	L	A	0.0000
111	T	A	-0.8883
112	V	A	0.0000
113	K	A	-2.3781
114	P	A	-1.5561