Project name: Ras25

Chain sequence(s)	A: ASPSKTSNTIRVFLPNKQRTVVNVRNGMSLHDCLMKALKVRGLQPECCAVFRLLHEHKGKKARLDWNTDAASLIGEELQVDFLDHVPLTTHNFARKTFLKLAFCDICQKFLLNGFRCQTCGYKFHEHCSTKVPTMCVDWSNIRQLLLFPNSTIGDSGVPALPSLTMRRMRESGSAIHAVLTSINQSSIALAGSIKGKIRQRIMPVRNFSKFSDCTRAAEQLKNNPRHKSYLEQVSLRQLEKLFSFLRGYLSGQSLAETMEQIQRE
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                                          (00:04:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:49)

• Minimal score value: -3.7486
• Maximal score value: 1.8827
• Average score: -0.9339
• Total score value: -247.4733

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	-0.1366
2	S	A	-0.5986
3	P	A	-0.9112
4	S	A	-1.2593
5	K	A	-2.0824
6	T	A	-1.2482
7	S	A	-1.2428
8	N	A	-1.6064
9	T	A	-0.8460
10	I	A	0.0000
11	R	A	-0.9996
12	V	A	0.0000
13	F	A	-1.0057
14	L	A	0.0000
15	P	A	-1.5530
16	N	A	-2.4050
17	K	A	-2.7629
18	Q	A	-2.3295
19	R	A	-2.1618
20	T	A	-0.2173
21	V	A	0.7741
22	V	A	-0.1256
23	N	A	-1.1645
24	V	A	0.0000
25	R	A	-2.8928
26	N	A	-2.5869
27	G	A	-1.7941
28	M	A	-1.6473
29	S	A	-1.7581
30	L	A	0.0000
31	H	A	0.0000
32	D	A	-1.2876
33	C	A	0.0000
34	L	A	0.0000
35	M	A	-1.1644
36	K	A	-1.9408
37	A	A	0.0000
38	L	A	0.0000
39	K	A	-1.7663
40	V	A	0.0780
41	R	A	-0.6105
42	G	A	-0.9717
43	L	A	0.0000
44	Q	A	-0.7580
45	P	A	0.0000
46	E	A	0.0000
47	C	A	0.0000
48	C	A	0.0000
49	A	A	0.0000
50	V	A	0.0000
51	F	A	0.0000
52	R	A	-1.9976
53	L	A	-2.1178
54	L	A	-2.3008
55	H	A	-2.9581
56	E	A	-3.3343
57	H	A	-3.6229
58	K	A	-3.5181
59	G	A	-2.8464
60	K	A	-3.6789
61	K	A	-2.8434
62	A	A	-2.0624
63	R	A	-2.7259
64	L	A	-2.0742
65	D	A	-2.5963
66	W	A	-1.7415
67	N	A	-2.0844
68	T	A	-1.6919
69	D	A	-2.0959
70	A	A	0.0000
71	A	A	-1.2671
72	S	A	-0.5935
73	L	A	0.0000
74	I	A	-0.6693
75	G	A	-0.9094
76	E	A	-1.3117
77	E	A	-1.3123
78	L	A	0.0000
79	Q	A	-1.1988
80	V	A	0.0000
81	D	A	-0.6382
82	F	A	-0.3269
83	L	A	-0.6994
84	D	A	-1.8826
85	H	A	-1.0682
86	V	A	0.0000
87	P	A	-0.3160
88	L	A	0.4274
89	T	A	0.0809
90	T	A	-0.1343
91	H	A	-0.6440
92	N	A	-1.2574
93	F	A	-0.7607
94	A	A	-1.4325
95	R	A	-2.6373
96	K	A	-1.7481
97	T	A	-0.8687
98	F	A	0.0000
99	L	A	1.0449
100	K	A	-0.1904
101	L	A	1.5309
102	A	A	0.0000
103	F	A	0.8679
104	C	A	0.0000
105	D	A	-0.7858
106	I	A	-0.7086
107	C	A	-0.8265
108	Q	A	-1.4394
109	K	A	-0.9822
110	F	A	1.4316
111	L	A	0.0000
112	L	A	1.0691
113	N	A	-1.3108
114	G	A	0.0000
115	F	A	-1.8378
116	R	A	-1.8195
117	C	A	0.0000
118	Q	A	-1.5500
119	T	A	-0.9020
120	C	A	-0.6033
121	G	A	-0.6723
122	Y	A	-0.2926
123	K	A	-1.1346
124	F	A	0.0000
125	H	A	-1.7647
126	E	A	-2.8349
127	H	A	-2.1436
128	C	A	-1.5406
129	S	A	-1.4956
130	T	A	-1.2959
131	K	A	-1.5221
132	V	A	-0.5555
133	P	A	-0.4242
134	T	A	-0.3357
135	M	A	-0.0500
136	C	A	0.0000
137	V	A	0.0000
138	D	A	-0.2234
139	W	A	-0.1800
140	S	A	-0.7090
141	N	A	-0.9519
142	I	A	0.0000
143	R	A	-0.1165
144	Q	A	-0.1597
145	L	A	0.9100
146	L	A	1.1925
147	L	A	1.4641
148	F	A	1.8827
149	P	A	0.4744
150	N	A	-0.3469
151	S	A	0.2389
152	T	A	0.2859
153	I	A	1.1009
154	G	A	-0.5311
155	D	A	-1.5519
156	S	A	-0.7924
157	G	A	-0.2067
158	V	A	1.4041
159	P	A	0.8800
160	A	A	1.0621
161	L	A	1.7291
162	P	A	0.6496
163	S	A	0.6620
164	L	A	1.0053
165	T	A	0.1501
166	M	A	-0.1596
167	R	A	-2.2382
168	R	A	-2.4949
169	M	A	-1.4806
170	R	A	-2.6525
171	E	A	-2.7224
172	S	A	-1.6219
173	G	A	-1.0081
174	S	A	-0.8573
175	A	A	-0.8100
176	I	A	-0.6338
177	H	A	-0.7062
178	A	A	-0.0552
179	V	A	1.2921
180	L	A	0.7368
181	T	A	0.4229
182	S	A	0.1012
183	I	A	0.0213
184	N	A	-0.7979
185	Q	A	-0.7207
186	S	A	-0.8461
187	S	A	0.0000
188	I	A	0.0000
189	A	A	0.0000
190	L	A	0.0000
191	A	A	0.0000
192	G	A	0.0000
193	S	A	-0.7274
194	I	A	-1.2542
195	K	A	-2.0428
196	G	A	-1.6836
197	K	A	-1.8154
198	I	A	-0.0197
199	R	A	-1.5151
200	Q	A	-1.5258
201	R	A	-1.3864
202	I	A	0.0415
203	M	A	0.0000
204	P	A	-0.7516
205	V	A	-0.7942
206	R	A	-1.8999
207	N	A	-2.0200
208	F	A	-1.3053
209	S	A	0.0000
210	K	A	-0.9836
211	F	A	-0.6962
212	S	A	-1.5275
213	D	A	-2.4884
214	C	A	-1.9854
215	T	A	-2.0661
216	R	A	-2.9076
217	A	A	-2.1416
218	A	A	0.0000
219	E	A	-2.2473
220	Q	A	-2.4620
221	L	A	-1.8082
222	K	A	-2.5161
223	N	A	-2.8314
224	N	A	-2.2830
225	P	A	-2.0228
226	R	A	-1.9906
227	H	A	-2.1323
228	K	A	-3.2941
229	S	A	-1.9983
230	Y	A	-1.2986
231	L	A	0.0000
232	E	A	-3.1708
233	Q	A	-2.1878
234	V	A	0.0000
235	S	A	-1.4920
236	L	A	-1.5301
237	R	A	-2.5214
238	Q	A	-2.0220
239	L	A	0.0000
240	E	A	0.0000
241	K	A	-2.1539
242	L	A	0.0000
243	F	A	0.0000
244	S	A	-1.1684
245	F	A	-0.4413
246	L	A	0.0000
247	R	A	-1.7687
248	G	A	0.0000
249	Y	A	-0.4679
250	L	A	-0.4477
251	S	A	-0.7870
252	G	A	-0.5768
253	Q	A	-1.0414
254	S	A	-0.4739
255	L	A	0.0207
256	A	A	-0.8446
257	E	A	-2.1078
258	T	A	0.0000
259	M	A	-1.4306
260	E	A	-3.2634
261	Q	A	-2.8145
262	I	A	-2.5815
263	Q	A	-3.3052
264	R	A	-3.7486
265	E	A	-3.3409