Project name: BLAC25

Chain sequence(s)	A: LIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI
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                                          (00:02:05)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:02:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:06)

• Minimal score value: -3.5284
• Maximal score value: 1.9231
• Average score: -1.2184
• Total score value: -196.1658

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	L	A	0.9493
2	I	A	0.0000
3	V	A	1.9231
4	T	A	0.4849
5	Q	A	-0.2150
6	T	A	-0.4010
7	M	A	-1.0701
8	K	A	-2.0575
9	G	A	-1.2924
10	L	A	0.0000
11	D	A	-1.3680
12	I	A	-1.4667
13	Q	A	-2.3798
14	K	A	-2.7255
15	V	A	0.0000
16	A	A	-2.0033
17	G	A	-1.8487
18	T	A	-1.4020
19	W	A	0.0000
20	Y	A	-1.1843
21	S	A	0.0000
22	L	A	0.0000
23	A	A	0.0000
24	M	A	0.0000
25	A	A	0.0000
26	A	A	0.0000
27	S	A	-1.2654
28	D	A	-1.5079
29	I	A	-0.6204
30	S	A	-1.0099
31	L	A	0.0000
32	L	A	0.0000
33	D	A	-1.9706
34	A	A	-1.4572
35	Q	A	-1.8736
36	S	A	-1.7052
37	A	A	-0.9627
38	P	A	-0.7238
39	L	A	0.0000
40	R	A	-0.6281
41	V	A	-0.2721
42	Y	A	0.0000
43	V	A	0.0000
44	E	A	-1.6843
45	E	A	-2.3070
46	L	A	0.0000
47	K	A	-2.7272
48	P	A	-2.0380
49	T	A	-1.5814
50	P	A	-1.6043
51	E	A	-2.3996
52	G	A	-2.0841
53	D	A	-2.5946
54	L	A	0.0000
55	E	A	-1.8939
56	I	A	0.0000
57	L	A	-1.8006
58	L	A	0.0000
59	Q	A	0.0000
60	K	A	-1.9372
61	W	A	-2.1981
62	E	A	-3.3365
63	N	A	-2.8953
64	G	A	-2.4745
65	E	A	-2.8528
66	C	A	-2.2957
67	A	A	-2.3067
68	Q	A	-2.3434
69	K	A	-2.4778
70	K	A	-2.1867
71	I	A	-0.8453
72	I	A	-1.0949
73	A	A	0.0000
74	E	A	-2.4135
75	K	A	-2.1702
76	T	A	-1.6316
77	K	A	-1.9977
78	I	A	-1.2997
79	P	A	-1.3275
80	A	A	0.0000
81	V	A	-0.8649
82	F	A	0.0000
83	K	A	-1.7093
84	I	A	-1.5048
85	D	A	-1.9123
86	A	A	-0.7471
87	L	A	-0.0790
88	N	A	-1.5536
89	E	A	-2.3824
90	N	A	-1.7489
91	K	A	-1.5177
92	V	A	0.0000
93	L	A	0.0000
94	V	A	0.0000
95	L	A	0.0000
96	D	A	-0.8622
97	T	A	-0.9248
98	D	A	-1.4642
99	Y	A	-1.7433
100	K	A	-2.5796
101	K	A	-2.1816
102	Y	A	0.0000
103	L	A	0.0000
104	L	A	0.0000
105	F	A	0.0000
106	C	A	0.0000
107	M	A	0.0000
108	E	A	0.0000
109	N	A	-1.8114
110	S	A	-1.5667
111	A	A	-1.1974
112	E	A	-1.6894
113	P	A	-1.3391
114	E	A	-2.2026
115	Q	A	-2.2108
116	S	A	-1.5844
117	L	A	0.0000
118	A	A	0.0000
119	C	A	0.0000
120	Q	A	0.0000
121	C	A	0.0000
122	L	A	0.0000
123	V	A	0.0000
124	R	A	-2.7937
125	T	A	-1.4735
126	P	A	-1.4416
127	E	A	-1.5361
128	V	A	-0.4485
129	D	A	-1.8295
130	D	A	-3.1375
131	E	A	-3.3101
132	A	A	0.0000
133	L	A	-2.0518
134	E	A	-3.4938
135	K	A	-3.0501
136	F	A	0.0000
137	D	A	-2.5614
138	K	A	-3.0310
139	A	A	-1.9776
140	L	A	-1.8140
141	K	A	-2.3647
142	A	A	-0.9838
143	L	A	0.0000
144	P	A	-0.5706
145	M	A	-1.0608
146	H	A	-1.2738
147	I	A	-1.2829
148	R	A	-1.7285
149	L	A	-0.8507
150	S	A	-0.5690
151	F	A	0.0000
152	N	A	-1.7866
153	P	A	-1.6462
154	T	A	-1.8028
155	Q	A	-2.5225
156	L	A	0.0000
157	E	A	-3.3677
158	E	A	-3.5284
159	Q	A	-2.8377
160	C	A	-1.8687
161	H	A	-1.9387