Project name: ABFerritin

Chain sequence(s)	A: MKGNRDVINQLNQVLYHHLTAINQYFLHSRMFNDWGIEQLGSAEYKESIRQMKHADKIIERILFLEGLPNLQHLGKLYIGQHTEEVLQCDIRKVKENIEAIQKAVALAETEQDYVTRDLVQEILEKEEEYWDWLDTQIDLIGSVGIENYIQSQM
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:54)

• Minimal score value: -3.7193
• Maximal score value: 1.618
• Average score: -0.8738
• Total score value: -134.5625

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	0.3036
2	K	A	-1.7181
3	G	A	0.0000
4	N	A	-2.8499
5	R	A	-3.5979
6	D	A	-3.1940
7	V	A	0.0000
8	I	A	0.0000
9	N	A	-2.0001
10	Q	A	0.0000
11	L	A	0.0000
12	N	A	-0.4884
13	Q	A	-1.0036
14	V	A	0.0000
15	L	A	0.0000
16	Y	A	0.2933
17	H	A	-0.3475
18	H	A	0.0000
19	L	A	0.2832
20	T	A	0.0000
21	A	A	0.0000
22	I	A	0.3373
23	N	A	0.1090
24	Q	A	0.0000
25	Y	A	0.0000
26	F	A	0.5773
27	L	A	0.3378
28	H	A	0.0000
29	S	A	0.0000
30	R	A	-2.2493
31	M	A	-1.7761
32	F	A	0.0000
33	N	A	-2.8283
34	D	A	-2.8168
35	W	A	-1.3611
36	G	A	-1.7105
37	I	A	0.0000
38	E	A	-2.7881
39	Q	A	-1.7257
40	L	A	0.0000
41	G	A	0.0000
42	S	A	-1.3957
43	A	A	-0.8287
44	E	A	0.0000
45	Y	A	-0.0999
46	K	A	-1.0734
47	E	A	0.0000
48	S	A	0.0000
49	I	A	-0.0182
50	R	A	-1.1169
51	Q	A	0.0000
52	M	A	-1.1397
53	K	A	-2.2579
54	H	A	0.0000
55	A	A	0.0000
56	D	A	-3.0544
57	K	A	-2.4860
58	I	A	0.0000
59	I	A	-0.6715
60	E	A	-1.6529
61	R	A	0.0000
62	I	A	0.0000
63	L	A	1.3539
64	F	A	1.4614
65	L	A	0.0000
66	E	A	-1.1809
67	G	A	-0.2738
68	L	A	1.6180
69	P	A	0.4760
70	N	A	0.0991
71	L	A	0.9921
72	Q	A	-0.7002
73	H	A	-0.6865
74	L	A	0.4454
75	G	A	-0.4917
76	K	A	-1.2815
77	L	A	-0.1088
78	Y	A	-0.4120
79	I	A	-0.0596
80	G	A	0.0000
81	Q	A	-2.0542
82	H	A	-2.2936
83	T	A	0.0000
84	E	A	-2.6514
85	E	A	-2.8953
86	V	A	0.0000
87	L	A	0.0000
88	Q	A	-2.2548
89	C	A	-1.2302
90	D	A	0.0000
91	I	A	-1.4837
92	R	A	-1.8714
93	K	A	0.0000
94	V	A	0.0000
95	K	A	-2.0212
96	E	A	-1.7681
97	N	A	0.0000
98	I	A	-2.1605
99	E	A	-2.8572
100	A	A	0.0000
101	I	A	0.0000
102	Q	A	-2.3076
103	K	A	-2.5049
104	A	A	0.0000
105	V	A	-1.2844
106	A	A	-1.3419
107	L	A	-1.5533
108	A	A	0.0000
109	E	A	-1.6901
110	T	A	-1.3158
111	E	A	-2.1830
112	Q	A	-1.7193
113	D	A	-0.7234
114	Y	A	0.4559
115	V	A	1.2529
116	T	A	0.0000
117	R	A	-1.1248
118	D	A	-1.6840
119	L	A	-0.9233
120	V	A	0.0000
121	Q	A	-2.4200
122	E	A	-3.1393
123	I	A	0.0000
124	L	A	0.0000
125	E	A	-3.7193
126	K	A	-3.2475
127	E	A	0.0000
128	E	A	-3.5752
129	E	A	-3.6349
130	Y	A	0.0000
131	W	A	-2.2453
132	D	A	-2.8543
133	W	A	-1.4925
134	L	A	0.0000
135	D	A	-1.7388
136	T	A	-1.2046
137	Q	A	0.0000
138	I	A	-1.1444
139	D	A	-1.6253
140	L	A	-0.4046
141	I	A	0.0000
142	G	A	-0.6284
143	S	A	-0.3656
144	V	A	-0.0854
145	G	A	-0.6703
146	I	A	-1.0198
147	E	A	-2.3736
148	N	A	-2.1992
149	Y	A	0.0000
150	I	A	-1.4308
151	Q	A	-1.7858
152	S	A	-1.1053
153	Q	A	-1.0437
154	M	A	-0.4618