Project name: sol_331_1st

Chain sequence(s)	A: EFKLPENFGKRESDLRLSVLLVEMLKNINLRLGCQLSREEIEKVKKDPKKINLALEAVFNERPKIALELAEKLRLKNIESLALLLCGVSPSGNLGIEYAAKVDANLELVYVIWIENNKYFNKHFPELIKKYSKGIYPEDLTDKVPYKGIEISIKLVTEPIEEGIKIREEDPSLLKPLLEELEKKIEELREEVKRLSEENVGDTLKYSKDPRILEAARKFPLLMYEKGKEIAKEKGLSEEDILGIAVLVADVNVQLCSTILNVAFPLEVIGRIFFFPLILMEETEKFFEEFVEEYKKKKEEKL
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                                          (00:07:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:43)

• Minimal score value: -5.2981
• Maximal score value: 1.3738
• Average score: -1.3697
• Total score value: -413.6507

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	E	A	-2.0877
2	F	A	-1.5225
3	K	A	-2.3402
4	L	A	-1.1347
5	P	A	-1.6237
6	E	A	-2.8195
7	N	A	-2.8879
8	F	A	-1.7444
9	G	A	-1.7588
10	K	A	-2.7789
11	R	A	-2.6606
12	E	A	-2.5840
13	S	A	-1.7307
14	D	A	-1.4213
15	L	A	-0.1805
16	R	A	-1.0769
17	L	A	-0.3601
18	S	A	0.6431
19	V	A	1.3738
20	L	A	0.7311
21	L	A	1.1249
22	V	A	1.0539
23	E	A	0.0350
24	M	A	-0.3149
25	L	A	0.2174
26	K	A	-0.9815
27	N	A	0.0000
28	I	A	0.0000
29	N	A	0.0000
30	L	A	-0.8092
31	R	A	-0.9046
32	L	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	Q	A	-0.3780
36	L	A	0.0000
37	S	A	-2.2387
38	R	A	-2.9620
39	E	A	-3.5900
40	E	A	-3.8345
41	I	A	0.0000
42	E	A	-4.4426
43	K	A	-4.5747
44	V	A	-3.6661
45	K	A	-4.2596
46	K	A	-4.1106
47	D	A	-3.4199
48	P	A	-2.5823
49	K	A	-2.8360
50	K	A	-2.1169
51	I	A	0.0000
52	N	A	-2.5034
53	L	A	-1.6840
54	A	A	0.0000
55	L	A	0.0000
56	E	A	-2.2620
57	A	A	0.0000
58	V	A	0.0000
59	F	A	0.0000
60	N	A	-1.8036
61	E	A	-1.7522
62	R	A	0.0000
63	P	A	0.0000
64	K	A	-1.8952
65	I	A	-1.3638
66	A	A	0.0000
67	L	A	-1.6656
68	E	A	-3.1919
69	L	A	0.0000
70	A	A	0.0000
71	E	A	-4.1026
72	K	A	-3.5146
73	L	A	-2.7983
74	R	A	-3.6820
75	L	A	-2.5484
76	K	A	-2.7474
77	N	A	-2.2187
78	I	A	-0.4422
79	E	A	0.0000
80	S	A	0.0000
81	L	A	0.0000
82	A	A	0.0000
83	L	A	0.0000
84	L	A	0.0000
85	L	A	0.0000
86	C	A	0.0000
87	G	A	0.0000
88	V	A	0.0000
89	S	A	0.0000
90	P	A	0.0000
91	S	A	0.0000
92	G	A	0.0000
93	N	A	-0.2688
94	L	A	0.0000
95	G	A	0.0000
96	I	A	0.0000
97	E	A	0.0000
98	Y	A	0.0000
99	A	A	0.0000
100	A	A	-0.8589
101	K	A	-1.9586
102	V	A	0.0000
103	D	A	-2.1003
104	A	A	-1.6808
105	N	A	-1.3097
106	L	A	-0.5834
107	E	A	-1.4183
108	L	A	0.0000
109	V	A	0.0000
110	Y	A	0.0000
111	V	A	0.0000
112	I	A	0.0000
113	W	A	0.0000
114	I	A	-0.5940
115	E	A	-1.6662
116	N	A	0.0000
117	N	A	0.0000
118	K	A	-2.3792
119	Y	A	-1.2373
120	F	A	0.0000
121	N	A	-1.9564
122	K	A	-2.3467
123	H	A	-1.7196
124	F	A	0.0000
125	P	A	-2.3151
126	E	A	-2.8947
127	L	A	0.0000
128	I	A	0.0000
129	K	A	-3.3803
130	K	A	-3.1033
131	Y	A	0.0000
132	S	A	0.0000
133	K	A	-2.6991
134	G	A	-1.2904
135	I	A	-1.1124
136	Y	A	-1.3831
137	P	A	-1.8848
138	E	A	-3.0108
139	D	A	-3.2982
140	L	A	0.0000
141	T	A	-2.1566
142	D	A	-2.1566
143	K	A	-1.2787
144	V	A	0.0000
145	P	A	-0.9361
146	Y	A	-1.2766
147	K	A	-1.8488
148	G	A	-1.1215
149	I	A	0.0000
150	E	A	-1.7997
151	I	A	-0.2656
152	S	A	-0.4022
153	I	A	0.0000
154	K	A	-1.5077
155	L	A	-0.8407
156	V	A	0.0000
157	T	A	-1.5168
158	E	A	-2.8196
159	P	A	-2.1145
160	I	A	0.0000
161	E	A	-2.2874
162	E	A	-2.9375
163	G	A	0.0000
164	I	A	0.0000
165	K	A	-3.4491
166	I	A	-2.4670
167	R	A	-2.9558
168	E	A	-3.8032
169	E	A	-3.6692
170	D	A	-2.9091
171	P	A	-2.0688
172	S	A	-0.9425
173	L	A	-0.2399
174	L	A	-1.0163
175	K	A	-1.9653
176	P	A	-1.4990
177	L	A	-1.2263
178	L	A	-2.0202
179	E	A	-3.8116
180	E	A	-3.9191
181	L	A	0.0000
182	E	A	-4.0784
183	K	A	-4.8224
184	K	A	-4.1370
185	I	A	0.0000
186	E	A	-4.5221
187	E	A	-4.4516
188	L	A	-2.9998
189	R	A	-3.2739
190	E	A	-4.1573
191	E	A	-3.1932
192	V	A	-2.6430
193	K	A	-3.5096
194	R	A	-3.6092
195	L	A	0.0000
196	S	A	-2.6273
197	E	A	-3.7408
198	E	A	-3.4960
199	N	A	0.0000
200	V	A	-1.6165
201	G	A	-2.5132
202	D	A	-2.6733
203	T	A	-1.5494
204	L	A	-1.1695
205	K	A	-1.9763
206	Y	A	-0.4785
207	S	A	0.0000
208	K	A	-1.2316
209	D	A	-1.3016
210	P	A	-1.0702
211	R	A	-1.7172
212	I	A	0.0000
213	L	A	-1.3899
214	E	A	-2.2946
215	A	A	0.0000
216	A	A	0.0000
217	R	A	-2.5148
218	K	A	-1.5633
219	F	A	0.0000
220	P	A	0.0000
221	L	A	0.1351
222	L	A	-0.2053
223	M	A	0.0000
224	Y	A	0.0000
225	E	A	-2.4610
226	K	A	-2.3393
227	G	A	0.0000
228	K	A	-3.4399
229	E	A	-4.1238
230	I	A	-3.0642
231	A	A	0.0000
232	K	A	-4.3163
233	E	A	-3.9483
234	K	A	-3.3574
235	G	A	-2.4374
236	L	A	-2.0970
237	S	A	-1.8747
238	E	A	-3.0423
239	E	A	-2.4617
240	D	A	0.0000
241	I	A	0.0000
242	L	A	0.0000
243	G	A	0.0000
244	I	A	0.0000
245	A	A	0.0000
246	V	A	0.0000
247	L	A	0.0000
248	V	A	0.0000
249	A	A	0.0000
250	D	A	0.0000
251	V	A	0.0000
252	N	A	-0.5483
253	V	A	0.0000
254	Q	A	-1.1498
255	L	A	0.0000
256	C	A	0.0000
257	S	A	-0.4414
258	T	A	-0.4702
259	I	A	0.0000
260	L	A	0.0000
261	N	A	-0.4392
262	V	A	0.5153
263	A	A	-0.4795
264	F	A	0.0000
265	P	A	-0.0405
266	L	A	-0.4086
267	E	A	-1.1917
268	V	A	0.8514
269	I	A	0.0000
270	G	A	-0.8207
271	R	A	-1.2033
272	I	A	0.0000
273	F	A	0.0125
274	F	A	0.0000
275	F	A	0.0000
276	P	A	0.0000
277	L	A	0.4585
278	I	A	0.0000
279	L	A	0.0000
280	M	A	-0.3683
281	E	A	-0.7703
282	E	A	0.0000
283	T	A	0.0000
284	E	A	-1.5712
285	K	A	-2.4635
286	F	A	-1.7212
287	F	A	0.0000
288	E	A	-3.7778
289	E	A	-3.7991
290	F	A	-2.5629
291	V	A	0.0000
292	E	A	-4.5999
293	E	A	-4.3227
294	Y	A	-3.6844
295	K	A	-4.5289
296	K	A	-5.2981
297	K	A	-4.9648
298	K	A	-4.2761
299	E	A	-4.3938
300	E	A	-4.3719
301	K	A	-3.2627
302	L	A	-0.7920