Project name: CNTF

Chain sequence(s)	A: GRKKRRQRRRPQMAFTEHSPLTPHRRDLCSRSIWLARKIRSDLTALTESYVKHQGLNKNINLDSADGMPVASTDQWSELTEAERLQENLQAYRTFHVLLARLLEDQQVHFTPTEGDFHQAIHTLLLQVAAFAYQIEELMILLEYKIPRNEADGMPINVGDGGLFEKKLWGLKVLQELSQWTVRSIHDLRFISSHQTGIPARGSHYIANNKKM
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                                          (00:05:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:26)

• Minimal score value: -4.8179
• Maximal score value: 1.7895
• Average score: -0.9491
• Total score value: -201.2001

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	G	A	-1.9807
2	R	A	-3.5553
3	K	A	-4.2517
4	K	A	-4.6040
5	R	A	-4.8179
6	R	A	-4.7558
7	Q	A	-4.4857
8	R	A	-4.6193
9	R	A	-4.4653
10	R	A	-3.7114
11	P	A	-2.1523
12	Q	A	-1.3171
13	M	A	0.7110
14	A	A	0.8550
15	F	A	1.3721
16	T	A	-0.1562
17	E	A	-1.8276
18	H	A	-1.8708
19	S	A	-1.3474
20	P	A	-0.8582
21	L	A	-0.3050
22	T	A	-1.1464
23	P	A	-1.2831
24	H	A	-1.3628
25	R	A	0.0000
26	R	A	-2.1641
27	D	A	-2.0853
28	L	A	0.0000
29	C	A	0.0000
30	S	A	-1.2847
31	R	A	-1.3864
32	S	A	0.0000
33	I	A	0.0000
34	W	A	-0.2080
35	L	A	0.0000
36	A	A	0.0000
37	R	A	-2.3794
38	K	A	-2.0600
39	I	A	0.0000
40	R	A	-2.5164
41	S	A	-1.8354
42	D	A	-1.4339
43	L	A	0.0000
44	T	A	-1.1095
45	A	A	-0.9294
46	L	A	0.0000
47	T	A	-1.5993
48	E	A	-2.6051
49	S	A	-1.6346
50	Y	A	0.0000
51	V	A	0.0000
52	K	A	-2.8764
53	H	A	-1.5666
54	Q	A	0.0000
55	G	A	-1.5647
56	L	A	-1.5975
57	N	A	-2.7213
58	K	A	-3.4792
59	N	A	-2.4644
60	I	A	-1.5330
61	N	A	-2.0161
62	L	A	-1.2724
63	D	A	-2.1471
64	S	A	-1.3658
65	A	A	-1.2571
66	D	A	-2.1720
67	G	A	-1.2140
68	M	A	0.0000
69	P	A	0.0000
70	V	A	1.0920
71	A	A	0.2812
72	S	A	-0.3416
73	T	A	-0.9044
74	D	A	-2.2997
75	Q	A	-1.9558
76	W	A	-1.3714
77	S	A	-1.5132
78	E	A	-2.4121
79	L	A	0.0000
80	T	A	-0.9723
81	E	A	-0.7460
82	A	A	-1.1972
83	E	A	-1.6724
84	R	A	0.0000
85	L	A	0.0000
86	Q	A	-1.6934
87	E	A	-1.4414
88	N	A	0.0000
89	L	A	0.0000
90	Q	A	-2.0040
91	A	A	0.0000
92	Y	A	0.0000
93	R	A	-1.1656
94	T	A	0.0000
95	F	A	0.0000
96	H	A	-0.3031
97	V	A	-0.2766
98	L	A	0.0000
99	L	A	0.0000
100	A	A	-0.6683
101	R	A	-0.9287
102	L	A	0.0000
103	L	A	-1.1757
104	E	A	-1.8867
105	D	A	0.0000
106	Q	A	0.0000
107	Q	A	-1.2975
108	V	A	0.3058
109	H	A	-0.3968
110	F	A	-0.2736
111	T	A	0.0000
112	P	A	-0.8645
113	T	A	-0.8710
114	E	A	-1.9226
115	G	A	-2.2055
116	D	A	-2.7403
117	F	A	0.0000
118	H	A	0.0000
119	Q	A	-2.2946
120	A	A	-1.3499
121	I	A	0.0000
122	H	A	-0.9151
123	T	A	-0.2399
124	L	A	0.0000
125	L	A	0.0000
126	L	A	1.2605
127	Q	A	0.4558
128	V	A	0.0000
129	A	A	0.7318
130	A	A	0.7894
131	F	A	0.0000
132	A	A	0.0000
133	Y	A	0.6154
134	Q	A	-0.2694
135	I	A	0.0000
136	E	A	-0.3297
137	E	A	-1.0104
138	L	A	0.0000
139	M	A	0.0000
140	I	A	0.6779
141	L	A	0.2266
142	L	A	-0.3361
143	E	A	-1.3014
144	Y	A	-1.0609
145	K	A	-1.6555
146	I	A	-1.0799
147	P	A	-1.9198
148	R	A	-3.1115
149	N	A	-3.1805
150	E	A	-3.5308
151	A	A	0.0000
152	D	A	-2.8677
153	G	A	-1.8205
154	M	A	-1.1788
155	P	A	-0.6519
156	I	A	-0.6645
157	N	A	-1.7933
158	V	A	-1.5138
159	G	A	-1.6558
160	D	A	-2.4113
161	G	A	-1.2409
162	G	A	-0.0694
163	L	A	1.2924
164	F	A	1.7121
165	E	A	-0.6126
166	K	A	-0.2965
167	K	A	0.1826
168	L	A	0.0255
169	W	A	-0.4055
170	G	A	0.0000
171	L	A	0.0000
172	K	A	-0.7126
173	V	A	0.0000
174	L	A	0.0000
175	Q	A	-1.2111
176	E	A	0.0000
177	L	A	0.0000
178	S	A	-1.3069
179	Q	A	-0.8694
180	W	A	0.0000
181	T	A	0.0000
182	V	A	-0.1405
183	R	A	0.0000
184	S	A	0.0000
185	I	A	-0.3996
186	H	A	-0.9147
187	D	A	0.0000
188	L	A	0.0000
189	R	A	-1.8775
190	F	A	-0.5725
191	I	A	0.0000
192	S	A	0.0000
193	S	A	-1.0009
194	H	A	-1.0155
195	Q	A	-1.3372
196	T	A	-0.8038
197	G	A	-0.3785
198	I	A	0.1334
199	P	A	-0.5702
200	A	A	-1.0956
201	R	A	-2.1348
202	G	A	-1.6322
203	S	A	-0.7244
204	H	A	-0.2203
205	Y	A	1.5190
206	I	A	1.7895
207	A	A	0.0814
208	N	A	-1.7997
209	N	A	-2.7820
210	K	A	-3.2529
211	K	A	-2.5443
212	M	A	-0.3910