Project name: nfFerritin

Chain sequence(s)	A: RYNYSSECEQLVNEQINHELNASYFYTALGTYYSQPTVALPGVANYFLAQSNEERRHAHALIQYQNGRGGKVQFSAIQAPPDFSKVLTGGEAATVTTRGFELAIETERMVYDKIRYIYQVAESQRDFALTGFLQKLIDEQVESLRELQELYTKSKRMVNEYWFDQ
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:17)

• Minimal score value: -3.1884
• Maximal score value: 1.268
• Average score: -0.8623
• Total score value: -142.2736

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	R	A	-1.9579
2	Y	A	-0.3293
3	N	A	-1.3347
4	Y	A	0.0000
5	S	A	-1.4856
6	S	A	-1.7503
7	E	A	-2.3405
8	C	A	0.0000
9	E	A	-2.1916
10	Q	A	-2.5655
11	L	A	0.0000
12	V	A	0.0000
13	N	A	0.0000
14	E	A	-1.3795
15	Q	A	0.0000
16	I	A	0.0000
17	N	A	0.0000
18	H	A	-0.5026
19	E	A	0.0000
20	L	A	-0.2123
21	N	A	-0.0072
22	A	A	0.0000
23	S	A	0.0000
24	Y	A	0.5975
25	F	A	0.5368
26	Y	A	0.0000
27	T	A	0.1820
28	A	A	0.0843
29	L	A	0.0000
30	G	A	0.0000
31	T	A	-0.2568
32	Y	A	-0.3730
33	Y	A	0.0000
34	S	A	-0.6464
35	Q	A	-0.6582
36	P	A	-0.4823
37	T	A	-0.2052
38	V	A	0.0030
39	A	A	-0.1133
40	L	A	0.0000
41	P	A	-0.9017
42	G	A	-0.9437
43	V	A	0.0000
44	A	A	0.0000
45	N	A	-1.1661
46	Y	A	-0.3350
47	F	A	0.0000
48	L	A	-0.1623
49	A	A	-0.7385
50	Q	A	0.0000
51	S	A	0.0000
52	N	A	-2.3066
53	E	A	-2.7102
54	E	A	0.0000
55	R	A	-2.7010
56	R	A	-3.1884
57	H	A	0.0000
58	A	A	0.0000
59	H	A	-2.0714
60	A	A	-1.2551
61	L	A	0.0000
62	I	A	-1.3613
63	Q	A	-1.7418
64	Y	A	-1.0519
65	Q	A	0.0000
66	N	A	-2.6054
67	G	A	-2.0062
68	R	A	-1.9395
69	G	A	-2.0541
70	G	A	-2.3241
71	K	A	-2.3973
72	V	A	-1.3928
73	Q	A	-0.9391
74	F	A	1.1229
75	S	A	0.3669
76	A	A	0.4713
77	I	A	0.5706
78	Q	A	-0.7242
79	A	A	-0.4725
80	P	A	-0.5055
81	P	A	-1.3791
82	D	A	-2.3551
83	F	A	0.0000
84	S	A	-1.5087
85	K	A	-2.3381
86	V	A	-1.2425
87	L	A	0.0000
88	T	A	-1.0083
89	G	A	-1.3621
90	G	A	-1.5296
91	E	A	-2.1609
92	A	A	-1.4089
93	A	A	-0.9221
94	T	A	-0.4543
95	V	A	0.0462
96	T	A	0.0000
97	T	A	0.0000
98	R	A	-0.7067
99	G	A	0.0000
100	F	A	0.0000
101	E	A	-0.7653
102	L	A	-0.6591
103	A	A	0.0000
104	I	A	-1.5038
105	E	A	-2.1249
106	T	A	-1.1172
107	E	A	0.0000
108	R	A	-2.0293
109	M	A	-1.4235
110	V	A	0.0000
111	Y	A	-1.2269
112	D	A	-1.8970
113	K	A	-1.6356
114	I	A	0.0000
115	R	A	-2.0656
116	Y	A	-0.7670
117	I	A	0.0000
118	Y	A	-1.0957
119	Q	A	-1.9006
120	V	A	-1.5441
121	A	A	0.0000
122	E	A	-1.9993
123	S	A	-1.8555
124	Q	A	-2.7087
125	R	A	-2.5644
126	D	A	0.0000
127	F	A	0.8326
128	A	A	0.4619
129	L	A	0.0000
130	T	A	0.0000
131	G	A	-0.0778
132	F	A	-0.0327
133	L	A	0.0000
134	Q	A	-2.0079
135	K	A	-2.6112
136	L	A	0.0000
137	I	A	-1.7167
138	D	A	-2.5014
139	E	A	-1.9865
140	Q	A	0.0000
141	V	A	-0.5919
142	E	A	-2.2012
143	S	A	-1.8659
144	L	A	0.0000
145	R	A	-2.9520
146	E	A	-2.5668
147	L	A	0.0000
148	Q	A	-2.7658
149	E	A	-3.1196
150	L	A	-1.9322
151	Y	A	-2.0120
152	T	A	-2.3311
153	K	A	-2.7889
154	S	A	0.0000
155	K	A	-2.5375
156	R	A	-2.5852
157	M	A	-0.5186
158	V	A	1.0081
159	N	A	0.1066
160	E	A	0.1269
161	Y	A	1.0153
162	W	A	1.2680
163	F	A	-0.0496
164	D	A	-0.4501
165	Q	A	-0.8241