Project name: a0ee848d91425da

Chain sequence(s)	A: RAATVGSLAGQPLQERAQAWGERLRARMEEMGSRTRDRLDEVKEQVAEVRAKLEEQAQQIRLQAEAFQARLKSWFEPLVEDMQRQWAGLVEKVQAAVGTSAAPVPSDNH
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                                          (00:02:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:06)

• Minimal score value: -3.8298
• Maximal score value: 1.6059
• Average score: -1.3463
• Total score value: -146.7463

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
18	R	A	-1.5026
19	A	A	-0.3788
20	A	A	0.0391
21	T	A	0.4298
22	V	A	1.5987
23	G	A	0.5424
24	S	A	0.7790
25	L	A	1.6059
26	A	A	0.4275
27	G	A	-0.5401
28	Q	A	-1.2143
29	P	A	-1.3630
30	L	A	-0.5105
31	Q	A	-2.0080
32	E	A	-3.1419
33	R	A	-2.9544
34	A	A	-2.0249
35	Q	A	-2.2391
36	A	A	-1.8211
37	W	A	-1.0210
38	G	A	-1.3337
39	E	A	-2.8129
40	R	A	-3.1004
41	L	A	-2.1376
42	R	A	-3.3867
43	A	A	-2.9529
44	R	A	-2.7654
45	M	A	-1.6991
46	E	A	-3.4825
47	E	A	-3.5278
48	M	A	-1.9423
49	G	A	-1.8811
50	S	A	-2.5450
51	R	A	-3.4372
52	T	A	-3.2010
53	R	A	-3.8298
54	D	A	-3.8063
55	R	A	-3.5200
56	L	A	-1.5850
57	D	A	-2.9276
58	E	A	-2.2994
59	V	A	-0.6820
60	K	A	-1.8463
61	E	A	-2.3922
62	Q	A	-2.1973
63	V	A	-1.4059
64	A	A	-1.5556
65	E	A	-2.3896
66	V	A	-2.4432
67	R	A	-2.7772
68	A	A	-2.5391
69	K	A	-3.5049
70	L	A	0.0000
71	E	A	-3.7550
72	E	A	-3.4173
73	Q	A	-2.3062
74	A	A	-1.7396
75	Q	A	-2.0189
76	Q	A	-1.5278
77	I	A	0.1738
78	R	A	-1.3345
79	L	A	-0.3588
80	Q	A	-0.7725
81	A	A	-0.9002
82	E	A	-1.9061
83	A	A	-0.5978
84	F	A	-0.2503
85	Q	A	-1.4736
86	A	A	-1.0185
87	R	A	-0.4554
88	L	A	-0.1987
89	K	A	-1.1675
90	S	A	-0.5453
91	W	A	0.3479
92	F	A	0.8596
93	E	A	-0.9335
94	P	A	-0.3447
95	L	A	0.5252
96	V	A	0.3085
97	E	A	-1.2210
98	D	A	0.0000
99	M	A	-0.3651
100	Q	A	-2.0400
101	R	A	-2.3784
102	Q	A	-0.9935
103	W	A	-0.1370
104	A	A	-0.4065
105	G	A	-0.6129
106	L	A	0.2936
107	V	A	1.3146
108	E	A	-0.6235
109	K	A	-0.4278
110	V	A	0.5098
111	Q	A	-0.9664
112	A	A	-0.1240
113	A	A	0.2091
114	V	A	0.2996
115	G	A	-0.1717
116	T	A	-0.5215
117	S	A	-1.0448
118	A	A	-0.8731
119	A	A	-0.2878
120	P	A	-0.6638
121	V	A	-1.2686
122	P	A	-1.9063
123	S	A	-2.6784
124	D	A	-2.8842
125	N	A	-2.7224
126	H	A	-2.0428