Project name: RasNeu

Chain sequence(s)	A: ASPSKTSNTIRVFLPNKQRTVVNVRNGMSLHDCLMKALKVRGLQPECCAVFRLLHEHKGKKARLDWNTDAASLIGEELQVDFLDHVPLTTHNFARKTFLKLAFCDICQKFLLNGFRCQTCGYKFHEHCSTKVPTMCVDWSNIRQLLLFPNSTIGDSGVPALPSLTMRRMRESGSAIHAVLTSINQSSIALAGSGLYCQRLPSSRTHGGTESLKGKNTENMGFYGTLKMIFYKMKRKLDHGSEVRSFSLGKKPCKVSEYTSTTGLV
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                                          (00:05:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:16)

• Minimal score value: -3.9866
• Maximal score value: 2.5273
• Average score: -0.7054
• Total score value: -186.9191

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	A	A	-0.1384
2	S	A	-0.6020
3	P	A	-0.9211
4	S	A	-1.2556
5	K	A	-2.0851
6	T	A	-1.2639
7	S	A	-1.2456
8	N	A	-1.6554
9	T	A	-0.9477
10	I	A	0.0000
11	R	A	-1.0760
12	V	A	0.0000
13	F	A	-0.9516
14	L	A	0.0000
15	P	A	-1.5270
16	N	A	-2.2434
17	K	A	-2.5869
18	Q	A	-2.1171
19	R	A	-2.0465
20	T	A	-0.0185
21	V	A	0.8283
22	V	A	-0.4034
23	N	A	-1.1921
24	V	A	0.0000
25	R	A	-2.9093
26	N	A	-2.5944
27	G	A	-1.7993
28	M	A	-1.7400
29	S	A	-1.8762
30	L	A	0.0000
31	H	A	-1.5760
32	D	A	-1.5634
33	C	A	0.0000
34	L	A	0.0000
35	M	A	-1.3846
36	K	A	-1.9929
37	A	A	0.0000
38	L	A	0.0000
39	K	A	-1.6816
40	V	A	0.0500
41	R	A	-0.6609
42	G	A	-0.8991
43	L	A	0.0000
44	Q	A	-1.2993
45	P	A	0.0000
46	E	A	-1.9520
47	C	A	0.0000
48	C	A	0.0000
49	A	A	0.0000
50	V	A	0.0000
51	F	A	-1.6584
52	R	A	-1.8114
53	L	A	-2.1204
54	L	A	-2.4559
55	H	A	-3.0659
56	E	A	-3.3749
57	H	A	-3.6957
58	K	A	-3.5845
59	G	A	-2.9390
60	K	A	-3.7710
61	K	A	-2.9828
62	A	A	-2.0530
63	R	A	-2.6248
64	L	A	-1.9566
65	D	A	-2.5809
66	W	A	-2.0652
67	N	A	-2.1968
68	T	A	-1.6656
69	D	A	-2.1049
70	A	A	0.0000
71	A	A	-1.2967
72	S	A	-0.6377
73	L	A	0.0000
74	I	A	-0.8330
75	G	A	-1.0192
76	E	A	-1.5280
77	E	A	-1.3313
78	L	A	0.0000
79	Q	A	-1.0495
80	V	A	0.0000
81	D	A	-0.5954
82	F	A	-0.5202
83	L	A	-0.8979
84	D	A	-1.7957
85	H	A	-0.9694
86	V	A	0.0000
87	P	A	-0.2262
88	L	A	0.8195
89	T	A	0.2484
90	T	A	-0.1631
91	H	A	-0.8175
92	N	A	-1.6602
93	F	A	-1.4681
94	A	A	-1.7694
95	R	A	-3.0059
96	K	A	-2.0722
97	T	A	-0.9605
98	F	A	0.0000
99	L	A	1.0225
100	K	A	0.0997
101	L	A	1.8361
102	A	A	0.0000
103	F	A	0.6289
104	C	A	0.0000
105	D	A	-1.9721
106	I	A	-1.2195
107	C	A	-1.0051
108	Q	A	-1.6303
109	K	A	-1.1434
110	F	A	1.3135
111	L	A	0.0000
112	L	A	1.1195
113	N	A	-1.3635
114	G	A	0.0000
115	F	A	0.0000
116	R	A	-2.0547
117	C	A	0.0000
118	Q	A	-1.9409
119	T	A	-1.0168
120	C	A	-0.7536
121	G	A	-0.9344
122	Y	A	-0.8412
123	K	A	-1.6481
124	F	A	0.0000
125	H	A	-1.8695
126	E	A	-2.9081
127	H	A	-2.1780
128	C	A	0.0000
129	S	A	-1.3928
130	T	A	-1.2517
131	K	A	-1.6614
132	V	A	-0.7302
133	P	A	-0.3608
134	T	A	-0.4394
135	M	A	0.0623
136	C	A	0.0000
137	V	A	0.0000
138	D	A	-0.7002
139	W	A	-0.8539
140	S	A	-1.3636
141	N	A	-1.8133
142	I	A	0.0000
143	R	A	-1.6548
144	Q	A	-0.7173
145	L	A	0.7034
146	L	A	1.0516
147	L	A	2.0709
148	F	A	2.1428
149	P	A	0.7579
150	N	A	-0.2427
151	S	A	-0.0276
152	T	A	0.1406
153	I	A	1.0650
154	G	A	-0.5134
155	D	A	-1.7290
156	S	A	-0.8162
157	G	A	-0.2032
158	V	A	1.5651
159	P	A	0.9806
160	A	A	1.0322
161	L	A	1.7703
162	P	A	0.8075
163	S	A	0.9722
164	L	A	1.5254
165	T	A	0.4055
166	M	A	0.1503
167	R	A	-1.9433
168	R	A	-2.3990
169	M	A	-1.6334
170	R	A	-2.9345
171	E	A	-2.7355
172	S	A	-1.7154
173	G	A	-1.3206
174	S	A	-0.1313
175	A	A	0.5665
176	I	A	1.7493
177	H	A	0.6697
178	A	A	1.5090
179	V	A	2.5273
180	L	A	2.3219
181	T	A	1.3820
182	S	A	0.9393
183	I	A	1.0798
184	N	A	-0.8613
185	Q	A	-1.1699
186	S	A	-0.2792
187	S	A	0.3625
188	I	A	2.0885
189	A	A	1.7463
190	L	A	1.9291
191	A	A	0.5039
192	G	A	-0.1599
193	S	A	0.0321
194	G	A	0.5627
195	L	A	2.0620
196	Y	A	1.7021
197	C	A	0.7955
198	Q	A	-0.7908
199	R	A	-1.4305
200	L	A	0.2143
201	P	A	-0.4577
202	S	A	-0.6999
203	S	A	-1.1265
204	R	A	-2.3097
205	T	A	-1.6368
206	H	A	-1.8122
207	G	A	-1.2061
208	G	A	-1.3226
209	T	A	-1.3636
210	E	A	-1.9137
211	S	A	-0.7618
212	L	A	-0.0333
213	K	A	-1.8867
214	G	A	-1.9919
215	K	A	-2.9493
216	N	A	-3.2441
217	T	A	-2.2417
218	E	A	-2.9694
219	N	A	-2.0931
220	M	A	-0.2665
221	G	A	0.0634
222	F	A	1.0606
223	Y	A	1.7716
224	G	A	0.8667
225	T	A	1.1346
226	L	A	1.2394
227	K	A	0.5035
228	M	A	0.8791
229	I	A	1.0545
230	F	A	0.4030
231	Y	A	-0.5013
232	K	A	-1.9885
233	M	A	-1.7768
234	K	A	-2.8150
235	R	A	-3.9866
236	K	A	-3.8280
237	L	A	-3.0477
238	D	A	-3.7983
239	H	A	-3.4327
240	G	A	-2.2522
241	S	A	-1.5620
242	E	A	-2.1628
243	V	A	0.0592
244	R	A	-1.1531
245	S	A	0.1442
246	F	A	1.7276
247	S	A	1.1171
248	L	A	1.2281
249	G	A	-0.7598
250	K	A	-2.4133
251	K	A	-2.5866
252	P	A	-1.4418
253	C	A	-0.3931
254	K	A	-0.5919
255	V	A	0.5861
256	S	A	-0.2868
257	E	A	-0.8917
258	Y	A	0.2930
259	T	A	0.0332
260	S	A	-0.0411
261	T	A	-0.3230
262	T	A	-0.0321
263	G	A	0.6591
264	L	A	2.2092
265	V	A	2.4731