Project name: ELK-PT-GFP

Chain sequence(s)	A: LELELKLKLELELKLKPTPPTTPTPPTTPTPTPENLYFQGRGSGSESDESGLPAMEIECRITGTLNGVEFELVGGGEGTPEQGRMTNKMKSTKGALTFSPYLLSHVMGYGFYHFGTYPSGYENPFLHAINNGGYTNTRIEKYEDGGVLHVSFSYRYEAGRVIGDFKVMGTGFPEDSVIFTDKIIRSNATVEHLHPMGDNDLDGSFTRTFSLRDGGYYSSVVDSHMHFKSAIHPSILQNGGPMFAFRRVEEDHSNTELGIVEYQHAFKTPDADAGEE
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                                          (00:04:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:18)

• Minimal score value: -3.387
• Maximal score value: 1.2926
• Average score: -0.8703
• Total score value: -240.1903

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	0.7251
2	E	A	-0.5825
3	L	A	0.3732
4	E	A	-0.5837
5	L	A	0.2605
6	K	A	-0.6638
7	L	A	0.0844
8	K	A	-0.5814
9	L	A	0.1157
10	E	A	-0.5635
11	L	A	0.1139
12	E	A	-0.8852
13	L	A	-0.0224
14	K	A	-0.9796
15	L	A	-0.1194
16	K	A	-1.4020
17	P	A	-0.8820
18	T	A	-0.6160
19	P	A	-0.7097
20	P	A	-0.5128
21	T	A	-0.3790
22	T	A	-0.3717
23	P	A	-0.4724
24	T	A	-0.4177
25	P	A	-0.5121
26	P	A	-0.5149
27	T	A	-0.3831
28	T	A	-0.3752
29	P	A	-0.4549
30	T	A	-0.4007
31	P	A	-0.7366
32	T	A	-1.0388
33	P	A	-1.4695
34	E	A	-2.0666
35	N	A	-1.3891
36	L	A	0.4509
37	Y	A	0.4904
38	F	A	0.3861
39	Q	A	-1.1789
40	G	A	-1.4375
41	R	A	-2.4295
42	G	A	-1.8490
43	S	A	-1.4568
44	G	A	-1.4262
45	S	A	-1.4136
46	E	A	-2.7917
47	S	A	-2.5374
48	D	A	-3.3365
49	E	A	-3.1428
50	S	A	-1.6958
51	G	A	-1.6019
52	L	A	-0.2620
53	P	A	-0.5166
54	A	A	-1.4398
55	M	A	0.0000
56	E	A	-3.1160
57	I	A	0.0000
58	E	A	-2.3861
59	C	A	0.0000
60	R	A	-2.2503
61	I	A	0.0000
62	T	A	-1.4348
63	G	A	-0.9826
64	T	A	-0.8574
65	L	A	0.0000
66	N	A	-1.1930
67	G	A	-0.7390
68	V	A	-0.1214
69	E	A	-1.7763
70	F	A	0.0000
71	E	A	-1.7176
72	L	A	0.0000
73	V	A	-1.2445
74	G	A	-1.6652
75	G	A	-2.0721
76	G	A	-2.1430
77	E	A	-3.0259
78	G	A	0.0000
79	T	A	-1.7809
80	P	A	0.0000
81	E	A	-2.3298
82	Q	A	-2.3774
83	G	A	0.0000
84	R	A	-1.9770
85	M	A	0.0000
86	T	A	-1.4289
87	N	A	0.0000
88	K	A	-2.9533
89	M	A	0.0000
90	K	A	-3.1787
91	S	A	0.0000
92	T	A	-1.5008
93	K	A	-2.4785
94	G	A	-1.7854
95	A	A	-1.3016
96	L	A	0.0000
97	T	A	-0.1964
98	F	A	0.0000
99	S	A	0.0000
100	P	A	-1.0082
101	Y	A	-0.6557
102	L	A	0.0000
103	L	A	0.0000
104	S	A	0.0000
105	H	A	0.0000
106	V	A	0.0000
107	M	A	0.0000
108	G	A	0.0000
109	Y	A	0.0000
110	G	A	0.0000
111	F	A	0.0000
112	Y	A	0.0000
113	H	A	0.0000
114	F	A	0.0000
115	G	A	0.0000
116	T	A	-0.9170
117	Y	A	-0.3801
118	P	A	-0.5552
119	S	A	-0.4272
120	G	A	-0.6073
121	Y	A	-0.4388
122	E	A	-0.9479
123	N	A	0.0000
124	P	A	0.0000
125	F	A	0.0000
126	L	A	-0.3218
127	H	A	-0.9560
128	A	A	0.0000
129	I	A	-1.1779
130	N	A	-1.8586
131	N	A	-2.3957
132	G	A	-2.1052
133	G	A	0.0000
134	Y	A	0.0000
135	T	A	-0.5194
136	N	A	0.0000
137	T	A	-0.7553
138	R	A	0.0000
139	I	A	0.0037
140	E	A	0.0000
141	K	A	-1.2423
142	Y	A	0.0000
143	E	A	-2.2446
144	D	A	-2.0899
145	G	A	-1.6574
146	G	A	0.0000
147	V	A	-0.5137
148	L	A	0.0000
149	H	A	-0.5188
150	V	A	0.0000
151	S	A	-0.9707
152	F	A	0.0000
153	S	A	-1.0613
154	Y	A	-1.0021
155	R	A	-2.2977
156	Y	A	-1.6795
157	E	A	-2.4002
158	A	A	-1.0856
159	G	A	-1.1938
160	R	A	-2.4419
161	V	A	0.0000
162	I	A	-1.7601
163	G	A	0.0000
164	D	A	-2.4397
165	F	A	0.0000
166	K	A	-2.2787
167	V	A	0.0000
168	M	A	-0.2632
169	G	A	0.0000
170	T	A	-0.5015
171	G	A	-1.2266
172	F	A	0.0000
173	P	A	-1.8624
174	E	A	-2.6925
175	D	A	-2.5514
176	S	A	0.0000
177	V	A	-0.7304
178	I	A	0.0000
179	F	A	-0.4400
180	T	A	-0.9471
181	D	A	-1.9980
182	K	A	-2.1426
183	I	A	0.0000
184	I	A	-1.1780
185	R	A	-2.0643
186	S	A	0.0000
187	N	A	-0.6188
188	A	A	-0.2629
189	T	A	0.0000
190	V	A	1.2926
191	E	A	0.0000
192	H	A	-0.4575
193	L	A	0.0000
194	H	A	-0.7167
195	P	A	-0.9099
196	M	A	-0.4634
197	G	A	-1.1822
198	D	A	-2.3025
199	N	A	-1.8277
200	D	A	-1.4908
201	L	A	0.0000
202	D	A	-1.4282
203	G	A	0.0000
204	S	A	-0.5789
205	F	A	0.0000
206	T	A	0.3694
207	R	A	0.0000
208	T	A	0.2415
209	F	A	0.0000
210	S	A	-0.7099
211	L	A	-1.5851
212	R	A	-3.1185
213	D	A	-2.7460
214	G	A	-1.6187
215	G	A	-0.7081
216	Y	A	0.5872
217	Y	A	0.0000
218	S	A	-0.2067
219	S	A	0.0000
220	V	A	0.6653
221	V	A	0.0000
222	D	A	-1.3723
223	S	A	0.0000
224	H	A	-1.1154
225	M	A	0.0000
226	H	A	-1.2717
227	F	A	0.0000
228	K	A	-2.4922
229	S	A	-1.9161
230	A	A	-1.5153
231	I	A	0.0000
232	H	A	-0.8948
233	P	A	-0.9365
234	S	A	-0.8025
235	I	A	0.0000
236	L	A	-1.0659
237	Q	A	-1.3975
238	N	A	-1.0924
239	G	A	-0.9817
240	G	A	-0.7159
241	P	A	-0.5939
242	M	A	0.0000
243	F	A	0.4261
244	A	A	0.0000
245	F	A	0.8501
246	R	A	0.0000
247	R	A	-0.8083
248	V	A	-1.3818
249	E	A	-2.1919
250	E	A	-2.3017
251	D	A	-2.9656
252	H	A	-2.2580
253	S	A	-1.7779
254	N	A	-1.6273
255	T	A	-2.1757
256	E	A	-3.3870
257	L	A	0.0000
258	G	A	0.0000
259	I	A	0.0000
260	V	A	-1.2107
261	E	A	0.0000
262	Y	A	-0.7748
263	Q	A	0.0000
264	H	A	-0.3663
265	A	A	0.2576
266	F	A	-0.1369
267	K	A	-0.9443
268	T	A	-0.8928
269	P	A	-1.3759
270	D	A	-2.5169
271	A	A	-1.7990
272	D	A	-3.0415
273	A	A	-2.0704
274	G	A	-2.3424
275	E	A	-3.3041
276	E	A	-3.0167