Project name: RRM

Chain sequence(s)	A: MGHHHHHHSHSDNNTIFVQGLGENVTIESVADYFKQIGIIKTNKKTGQPMINLYTDRETGKLKGEATVSFDDPPSAKAAIDWFDGKEFSGNPIKVSFAT
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:59)

• Minimal score value: -3.4344
• Maximal score value: 0.4077
• Average score: -1.4387
• Total score value: -142.4344

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	M	A	0.2189
2	G	A	-1.0235
3	H	A	-1.6934
4	H	A	-2.3723
5	H	A	-2.6443
6	H	A	-2.4120
7	H	A	-2.6276
8	H	A	-2.5378
9	S	A	-1.8663
10	H	A	-1.9287
11	S	A	-1.6233
12	D	A	-2.0527
13	N	A	-1.9623
14	N	A	-2.0851
15	T	A	-0.9334
16	I	A	0.0000
17	F	A	0.0487
18	V	A	0.0000
19	Q	A	-1.7320
20	G	A	-2.0832
21	L	A	0.0000
22	G	A	-2.2405
23	E	A	-3.2629
24	N	A	-2.5466
25	V	A	0.0000
26	T	A	-1.1145
27	I	A	-0.9050
28	E	A	-2.3684
29	S	A	-1.6276
30	V	A	0.0000
31	A	A	-1.8778
32	D	A	-2.9449
33	Y	A	-1.5949
34	F	A	0.0000
35	K	A	-2.3608
36	Q	A	-1.7841
37	I	A	-0.2697
38	G	A	-0.4967
39	I	A	0.4077
40	I	A	0.0000
41	K	A	-1.3251
42	T	A	-1.4024
43	N	A	-2.2515
44	K	A	-3.1190
45	K	A	-2.9144
46	T	A	-1.9088
47	G	A	-2.0563
48	Q	A	-1.8819
49	P	A	-1.2394
50	M	A	-0.9305
51	I	A	0.0000
52	N	A	-0.7461
53	L	A	-0.1208
54	Y	A	-0.5806
55	T	A	-1.9278
56	D	A	-2.9780
57	R	A	-3.4344
58	E	A	-3.2329
59	T	A	-2.4542
60	G	A	-2.6471
61	K	A	-3.3090
62	L	A	-2.4744
63	K	A	-2.8676
64	G	A	0.0000
65	E	A	-1.1933
66	A	A	0.0000
67	T	A	0.0000
68	V	A	0.0000
69	S	A	-0.8080
70	F	A	0.0000
71	D	A	-2.3305
72	D	A	-2.7957
73	P	A	-2.3217
74	P	A	-1.6306
75	S	A	-1.3655
76	A	A	0.0000
77	K	A	-1.7418
78	A	A	-0.7689
79	A	A	0.0000
80	I	A	-1.0275
81	D	A	-1.7376
82	W	A	-0.3582
83	F	A	0.0000
84	D	A	-2.2557
85	G	A	-2.2312
86	K	A	-2.3923
87	E	A	-3.0121
88	F	A	-1.3651
89	S	A	-1.3835
90	G	A	-1.5630
91	N	A	-2.0560
92	P	A	-2.4360
93	I	A	0.0000
94	K	A	-2.7438
95	V	A	0.0000
96	S	A	-0.6718
97	F	A	-0.0714
98	A	A	0.0573
99	T	A	-0.1313