Project name: GCSF

Chain sequence(s)	A: MTPLGPASSLPQSFLLKCLEQVRKIQGDGAALQEKLCATYKLCHPEELVLLGHSLGIPWAPLSSCPSQALQLAGCLSQLHSGLFLYQGLLQALEGISPELGPTLDTLQLDVADFATTIWQQMEELGMAPALQPTQGAMPAFASAFQRRAGGVLVASHLQSFLEVSYRVLRHLAQP
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]                                                (00:01:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:01:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:01:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:01:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:27)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:02:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:28)

• Minimal score value: -3.0704
• Maximal score value: 1.6205
• Average score: -0.5931
• Total score value: -103.8002

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	1.0995
2	T	A	0.5214
3	P	A	0.5926
4	L	A	1.2907
5	G	A	0.3166
6	P	A	0.0376
7	A	A	0.0633
8	S	A	-0.3584
9	S	A	-0.0785
10	L	A	0.0000
11	P	A	-0.6051
12	Q	A	-1.4881
13	S	A	-0.8745
14	F	A	0.0000
15	L	A	0.0000
16	L	A	-0.8081
17	K	A	-1.5953
18	C	A	0.0000
19	L	A	0.0000
20	E	A	-2.4556
21	Q	A	-2.3541
22	V	A	0.0000
23	R	A	-2.9950
24	K	A	-3.0704
25	I	A	0.0000
26	Q	A	-2.0003
27	G	A	-1.6616
28	D	A	-1.6573
29	G	A	-1.2896
30	A	A	-1.2569
31	A	A	-1.1684
32	L	A	0.0000
33	Q	A	-1.5287
34	E	A	-2.4013
35	K	A	-2.0815
36	L	A	0.0000
37	C	A	-1.3936
38	A	A	-1.0542
39	T	A	-1.0304
40	Y	A	-0.6234
41	K	A	-1.7220
42	L	A	-1.2441
43	C	A	-1.4713
44	H	A	-1.9915
45	P	A	-1.3480
46	E	A	-2.1644
47	E	A	-2.1167
48	L	A	0.0000
49	V	A	1.0554
50	L	A	1.6205
51	L	A	0.8218
52	G	A	0.5521
53	H	A	-0.4367
54	S	A	-0.0898
55	L	A	-0.1677
56	G	A	-0.5150
57	I	A	0.0000
58	P	A	0.3097
59	W	A	1.0359
60	A	A	0.0000
61	P	A	0.1871
62	L	A	0.0090
63	S	A	-0.3510
64	S	A	-0.4692
65	C	A	0.0000
66	P	A	-0.7459
67	S	A	-0.7683
68	Q	A	-0.8301
69	A	A	-0.3492
70	L	A	0.1774
71	Q	A	-0.9799
72	L	A	0.0000
73	A	A	-0.3550
74	G	A	-0.5969
75	C	A	0.0000
76	L	A	0.0000
77	S	A	-0.2536
78	Q	A	-0.3726
79	L	A	0.0000
80	H	A	0.0000
81	S	A	-0.4402
82	G	A	0.0000
83	L	A	0.0000
84	F	A	-0.2498
85	L	A	-0.0687
86	Y	A	0.0000
87	Q	A	-0.6775
88	G	A	-0.6919
89	L	A	0.0000
90	L	A	0.0000
91	Q	A	-1.8170
92	A	A	-1.2608
93	L	A	0.0000
94	E	A	-2.4333
95	G	A	-1.9843
96	I	A	0.0000
97	S	A	-1.2979
98	P	A	-1.2629
99	E	A	-2.1666
100	L	A	0.0000
101	G	A	-1.4524
102	P	A	-1.1020
103	T	A	-1.0502
104	L	A	0.0000
105	D	A	-1.2392
106	T	A	-0.3498
107	L	A	0.0000
108	Q	A	-0.6412
109	L	A	0.2909
110	D	A	-0.9547
111	V	A	0.0000
112	A	A	-0.5425
113	D	A	-1.5850
114	F	A	0.0000
115	A	A	0.0000
116	T	A	-1.0061
117	T	A	-1.0462
118	I	A	0.0000
119	W	A	-1.4926
120	Q	A	-2.2218
121	Q	A	0.0000
122	M	A	0.0000
123	E	A	-3.0089
124	E	A	-2.7818
125	L	A	-1.1157
126	G	A	-1.4259
127	M	A	-0.8915
128	A	A	-1.0306
129	P	A	-0.1147
130	A	A	0.4685
131	L	A	0.9312
132	Q	A	-0.6791
133	P	A	-0.6500
134	T	A	-0.7211
135	Q	A	-1.3961
136	G	A	-0.4535
137	A	A	-0.1900
138	M	A	-0.0621
139	P	A	0.0518
140	A	A	0.0100
141	F	A	0.0000
142	A	A	0.1007
143	S	A	0.1205
144	A	A	0.2754
145	F	A	0.8565
146	Q	A	0.0522
147	R	A	-0.7162
148	R	A	-0.2438
149	A	A	0.0000
150	G	A	0.0000
151	G	A	0.0000
152	V	A	0.0000
153	L	A	0.0000
154	V	A	0.0000
155	A	A	0.0000
156	S	A	-0.5304
157	H	A	-0.2972
158	L	A	0.0000
159	Q	A	-0.8058
160	S	A	-0.4861
161	F	A	0.0000
162	L	A	0.0000
163	E	A	-1.2847
164	V	A	-0.2302
165	S	A	0.0000
166	Y	A	-1.6356
167	R	A	-2.4198
168	V	A	0.0000
169	L	A	0.0000
170	R	A	-2.5453
171	H	A	-2.5142
172	L	A	-1.5328
173	A	A	0.0000
174	Q	A	-1.9935
175	P	A	-0.6881