Project name: 5m_mut

Chain sequence(s)	A: KPYIDNYLHEKDNDNKIENYNKAEKKQSTSPKESPQIPKDKAKMAGYIEIPDAQIKEPVYPGPATPQQLNRGVSFAEGDESLNQQNISIAGHTFTDRPHYQFTNLKAAKKGSKVYFKVGNQTRKYKITKIHDVKPTEVKVLDEHPSKKNQLTLITCDDYNEQTGVWETRKIFVATQMN
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                                          (00:04:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:29)

• Minimal score value: -4.341
• Maximal score value: 0.8274
• Average score: -1.3698
• Total score value: -243.8264

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	K	A	-1.3268
2	P	A	-1.0176
3	Y	A	0.8274
4	I	A	0.7677
5	D	A	-0.8668
6	N	A	-0.8107
7	Y	A	0.1615
8	L	A	-0.0282
9	H	A	-1.3475
10	E	A	-2.5556
11	K	A	-3.1902
12	D	A	-3.6725
13	N	A	0.0000
14	D	A	-4.2499
15	N	A	-4.3410
16	K	A	-3.5798
17	I	A	0.0000
18	E	A	-4.0871
19	N	A	-3.6728
20	Y	A	-2.7028
21	N	A	-3.1613
22	K	A	-3.7814
23	A	A	-2.8762
24	E	A	-3.2411
25	K	A	-4.0658
26	K	A	-3.7202
27	Q	A	-3.2523
28	S	A	-1.7963
29	T	A	-1.1452
30	S	A	-1.7789
31	P	A	-1.7820
32	K	A	-2.9556
33	E	A	-3.1250
34	S	A	-2.1504
35	P	A	-1.8405
36	Q	A	-1.8321
37	I	A	-1.5760
38	P	A	-2.0624
39	K	A	-2.9437
40	D	A	-2.8704
41	K	A	-2.7425
42	A	A	-2.1082
43	K	A	-2.6651
44	M	A	-1.1472
45	A	A	0.0000
46	G	A	0.0000
47	Y	A	-0.2435
48	I	A	0.0000
49	E	A	-1.4705
50	I	A	0.0000
51	P	A	-1.8384
52	D	A	-2.9351
53	A	A	0.0000
54	Q	A	-2.2382
55	I	A	0.0000
56	K	A	-1.6533
57	E	A	0.0000
58	P	A	0.0000
59	V	A	0.0000
60	Y	A	0.0000
61	P	A	0.0000
62	G	A	0.0000
63	P	A	-1.4860
64	A	A	-0.7915
65	T	A	-0.9578
66	P	A	-1.3232
67	Q	A	-1.9480
68	Q	A	0.0000
69	L	A	0.0000
70	N	A	-2.1152
71	R	A	-1.9971
72	G	A	0.0000
73	V	A	0.0000
74	S	A	0.0000
75	F	A	0.0000
76	A	A	-1.0046
77	E	A	-2.1932
78	G	A	-2.3583
79	D	A	-2.5327
80	E	A	-2.0135
81	S	A	-1.5954
82	L	A	0.0000
83	N	A	-1.7529
84	Q	A	-1.4191
85	Q	A	-2.0649
86	N	A	0.0000
87	I	A	0.0000
88	S	A	0.0000
89	I	A	0.0000
90	A	A	0.0000
91	G	A	0.0000
92	H	A	-0.4404
93	T	A	-0.6466
94	F	A	-0.2741
95	T	A	-0.9341
96	D	A	-2.2481
97	R	A	-1.8090
98	P	A	-1.1686
99	H	A	-1.3858
100	Y	A	-0.9389
101	Q	A	0.0000
102	F	A	0.0000
103	T	A	0.0000
104	N	A	-1.4310
105	L	A	0.0000
106	K	A	-2.3203
107	A	A	-1.9185
108	A	A	0.0000
109	K	A	-3.4609
110	K	A	-3.0532
111	G	A	-2.3125
112	S	A	0.0000
113	K	A	-2.0975
114	V	A	0.0000
115	Y	A	-0.8186
116	F	A	0.0000
117	K	A	-0.8274
118	V	A	0.0000
119	G	A	-1.7385
120	N	A	-2.6356
121	Q	A	-1.4927
122	T	A	-0.9561
123	R	A	-1.1165
124	K	A	-1.6116
125	Y	A	0.0000
126	K	A	-1.9615
127	I	A	0.0000
128	T	A	-1.6728
129	K	A	-1.6788
130	I	A	-1.3470
131	H	A	-1.3288
132	D	A	-2.5461
133	V	A	-2.1265
134	K	A	-2.4348
135	P	A	-1.3896
136	T	A	-0.7577
137	E	A	-0.9083
138	V	A	0.2313
139	K	A	-1.4718
140	V	A	-0.5449
141	L	A	-0.9578
142	D	A	-2.3295
143	E	A	-2.4691
144	H	A	-2.4202
145	P	A	-1.8707
146	S	A	-1.7136
147	K	A	-2.8318
148	K	A	-2.5343
149	N	A	-2.0914
150	Q	A	-1.3445
151	L	A	0.0000
152	T	A	0.0000
153	L	A	0.0000
154	I	A	0.0000
155	T	A	0.0000
156	C	A	0.0000
157	D	A	-1.4733
158	D	A	-2.4951
159	Y	A	-1.7039
160	N	A	-2.1713
161	E	A	-2.7007
162	Q	A	-2.1790
163	T	A	-1.3959
164	G	A	-1.2958
165	V	A	-0.9368
166	W	A	0.0000
167	E	A	-2.4573
168	T	A	-2.1050
169	R	A	-2.1922
170	K	A	-2.0260
171	I	A	0.0000
172	F	A	0.0000
173	V	A	-0.4881
174	A	A	0.0000
175	T	A	-1.4807
176	Q	A	-1.5053
177	M	A	-1.2896
178	N	A	-1.5488