Project name: H-Ferritin-Mms6

Chain sequence(s)	A: PSQVRQNYHQDAEAAINRQINLELYASYVYLSMSCYFDRDDVALKNFAKYFLHQSHEEREHAEKLMKLQNQRGGRIFLQDIKKPDRDDWESGLNAMECALHLEKSVNQSLLELHKLATDKNDPHLCDFIETYYLSEQVKSIKELGDHVTNLRKMGAPEAGMAEYLFDKHTLG
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                                          (00:05:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:13)

• Minimal score value: -3.7424
• Maximal score value: 1.8395
• Average score: -1.1709
• Total score value: -201.4028

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
5	P	A	-0.6263
6	S	A	-1.0177
7	Q	A	-0.9507
8	V	A	-0.2841
9	R	A	-1.4421
10	Q	A	-1.9602
11	N	A	-2.4590
12	Y	A	0.0000
13	H	A	-2.2500
14	Q	A	-2.2871
15	D	A	-2.1368
16	A	A	0.0000
17	E	A	-1.4634
18	A	A	-1.2442
19	A	A	-1.4867
20	I	A	0.0000
21	N	A	-0.5674
22	R	A	-1.6031
23	Q	A	0.0000
24	I	A	0.0000
25	N	A	-0.8154
26	L	A	-0.3562
27	E	A	0.0000
28	L	A	0.0000
29	Y	A	-0.2880
30	A	A	0.0000
31	S	A	0.0000
32	Y	A	0.3148
33	V	A	0.0000
34	Y	A	0.0000
35	L	A	0.9610
36	S	A	-0.3269
37	M	A	0.0000
38	S	A	0.0000
39	C	A	-0.3460
40	Y	A	0.0000
41	F	A	0.0000
42	D	A	-3.1925
43	R	A	-3.1060
44	D	A	-3.3921
45	D	A	-3.0147
46	V	A	-2.1820
47	A	A	-2.1133
48	L	A	-1.8577
49	K	A	-2.6441
50	N	A	-1.9183
51	F	A	0.0000
52	A	A	0.0000
53	K	A	-1.9687
54	Y	A	-0.9632
55	F	A	0.0000
56	L	A	-0.4642
57	H	A	-1.8741
58	Q	A	-1.7615
59	S	A	0.0000
60	H	A	-2.7053
61	E	A	-3.6220
62	E	A	0.0000
63	R	A	-3.0956
64	E	A	-3.7424
65	H	A	-2.2894
66	A	A	0.0000
67	E	A	-2.9243
68	K	A	-2.1458
69	L	A	0.0000
70	M	A	-1.8171
71	K	A	-2.6898
72	L	A	0.0000
73	Q	A	0.0000
74	N	A	-2.3823
75	Q	A	-2.1538
76	R	A	0.0000
77	G	A	0.0000
78	G	A	0.0000
79	R	A	-1.3698
80	I	A	0.1948
81	F	A	1.8395
82	L	A	1.0202
83	Q	A	-1.3254
84	D	A	-2.5423
85	I	A	-1.5612
86	K	A	-3.0402
87	K	A	-3.2424
88	P	A	-2.4220
89	D	A	-3.3196
90	R	A	-3.3060
91	D	A	-3.3942
92	D	A	-2.8500
93	W	A	0.0000
94	E	A	-2.5397
95	S	A	-1.4476
96	G	A	0.0000
97	L	A	0.0000
98	N	A	-1.0126
99	A	A	0.0000
100	M	A	0.0000
101	E	A	-0.9066
102	C	A	-0.6559
103	A	A	0.0000
104	L	A	-1.1824
105	H	A	-1.4721
106	L	A	0.0000
107	E	A	0.0000
108	K	A	-1.6948
109	S	A	-1.3528
110	V	A	0.0000
111	N	A	-1.1560
112	Q	A	-1.7403
113	S	A	-1.6155
114	L	A	0.0000
115	L	A	-1.2044
116	E	A	-2.3663
117	L	A	0.0000
118	H	A	-2.1429
119	K	A	-2.8272
120	L	A	-2.2606
121	A	A	0.0000
122	T	A	-2.4458
123	D	A	-2.9301
124	K	A	-2.9825
125	N	A	-2.7267
126	D	A	0.0000
127	P	A	-1.6685
128	H	A	-1.8950
129	L	A	0.0000
130	C	A	-1.9711
131	D	A	-2.5322
132	F	A	0.0000
133	I	A	0.0000
134	E	A	-2.2024
135	T	A	-1.1963
136	Y	A	-0.4490
137	Y	A	0.0000
138	L	A	-0.6782
139	S	A	-0.8342
140	E	A	-1.7318
141	Q	A	0.0000
142	V	A	-0.2054
143	K	A	-2.1334
144	S	A	-1.7623
145	I	A	-1.5624
146	K	A	-2.6017
147	E	A	-2.3148
148	L	A	0.0000
149	G	A	-1.8902
150	D	A	-2.1926
151	H	A	-1.7059
152	V	A	0.0000
153	T	A	-1.7527
154	N	A	-1.8070
155	L	A	0.0000
156	R	A	-3.0755
157	K	A	-2.5780
158	M	A	-1.2554
159	G	A	-1.6122
160	A	A	0.0000
161	P	A	-1.6985
162	E	A	-2.1251
163	A	A	-0.9590
164	G	A	-0.2921
165	M	A	0.9597
166	A	A	0.0000
167	E	A	-0.1584
168	Y	A	0.6180
169	L	A	0.3456
170	F	A	0.0000
171	D	A	-0.9059
172	K	A	-1.7978
173	H	A	-1.5411
174	T	A	-0.9282
175	L	A	-1.1034
176	G	A	-1.5713