Project name: Ras43

Chain sequence(s)	A: ASPSKTSNTIRVFLPNKQRTVVNVRNGMSLHDCLMKALKVRGLQPECCAVFRLLHEHKGKKARLDWNTDAASLIGEELQVDFLDHVPLTTHNFARKTFLKLAFCDICQKFLLNGFRCQTCGYKFHEHCSTKVPTMCVDWSNIRQLLLFPNSTIGDSGVPALPSLTMRRMRESGSAIHAVLTSINQSSIALAGSRHGMEKIWRPNRVFSLQDLCCRAIVSCTPVHLIDKLPLPVTIKSHLKSFSMANGMNAVMMHGRSYSLASGAG
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                                          (00:04:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:56)

• Minimal score value: -3.6574
• Maximal score value: 1.9433
• Average score: -0.6328
• Total score value: -167.6971

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	-0.1350
2	S	A	-0.6003
3	P	A	-0.8972
4	S	A	-1.2588
5	K	A	-2.0907
6	T	A	-1.2323
7	S	A	-1.2942
8	N	A	-1.7149
9	T	A	-1.0408
10	I	A	0.0000
11	R	A	-1.2513
12	V	A	0.0000
13	F	A	-1.0634
14	L	A	0.0000
15	P	A	-1.5705
16	N	A	-2.4236
17	K	A	-2.7960
18	Q	A	-2.3972
19	R	A	-2.2222
20	T	A	-0.3175
21	V	A	0.5285
22	V	A	-0.5481
23	N	A	-1.5274
24	V	A	0.0000
25	R	A	-2.9714
26	N	A	-2.5998
27	G	A	-1.8043
28	M	A	-1.7328
29	S	A	-1.8813
30	L	A	0.0000
31	H	A	-1.5995
32	D	A	-1.5806
33	C	A	0.0000
34	L	A	0.0000
35	M	A	-1.4413
36	K	A	-2.0221
37	A	A	0.0000
38	L	A	0.0000
39	K	A	-1.7221
40	V	A	0.0337
41	R	A	-0.7137
42	G	A	-0.9339
43	L	A	0.0000
44	Q	A	-1.2435
45	P	A	-1.1571
46	E	A	-1.5334
47	C	A	0.0000
48	C	A	0.0000
49	A	A	0.0000
50	V	A	0.0000
51	F	A	-1.6540
52	R	A	-1.7882
53	L	A	-2.0699
54	L	A	-2.3637
55	H	A	-3.0191
56	E	A	-3.3652
57	H	A	-3.6574
58	K	A	-3.5423
59	G	A	-2.8653
60	K	A	-3.6565
61	K	A	-2.7439
62	A	A	-1.9481
63	R	A	-2.5939
64	L	A	-1.9613
65	D	A	-2.6006
66	W	A	-2.0405
67	N	A	-2.2071
68	T	A	-1.7261
69	D	A	-2.0920
70	A	A	0.0000
71	A	A	-1.2533
72	S	A	-0.5613
73	L	A	0.0000
74	I	A	-0.6389
75	G	A	-0.9109
76	E	A	-1.5317
77	E	A	-1.4581
78	L	A	0.0000
79	Q	A	-1.0986
80	V	A	0.0000
81	D	A	-0.5872
82	F	A	-0.4763
83	L	A	-0.8343
84	D	A	-1.8370
85	H	A	-1.1851
86	V	A	0.0000
87	P	A	-0.3072
88	L	A	0.7346
89	T	A	0.2150
90	T	A	-0.1145
91	H	A	-0.6412
92	N	A	-1.3193
93	F	A	-0.6900
94	A	A	-1.4030
95	R	A	-2.6441
96	K	A	-1.9056
97	T	A	-0.8439
98	F	A	0.0000
99	L	A	1.1613
100	K	A	0.2496
101	L	A	1.3173
102	A	A	0.0000
103	F	A	-0.0607
104	C	A	0.0000
105	D	A	-1.9346
106	I	A	-1.3598
107	C	A	-1.2754
108	Q	A	-1.8543
109	K	A	-1.4091
110	F	A	0.8489
111	L	A	0.0000
112	L	A	1.0364
113	N	A	-1.2671
114	G	A	0.0000
115	F	A	-1.7320
116	R	A	-1.6056
117	C	A	0.0000
118	Q	A	-1.5403
119	T	A	-0.9236
120	C	A	-0.7219
121	G	A	-0.5644
122	Y	A	-0.6015
123	K	A	-1.4563
124	F	A	0.0000
125	H	A	-1.8048
126	E	A	-2.6700
127	H	A	-2.0851
128	C	A	0.0000
129	S	A	-1.4719
130	T	A	-1.3127
131	K	A	-1.7168
132	V	A	-0.7513
133	P	A	-0.4239
134	T	A	-0.5216
135	M	A	0.0101
136	C	A	0.0000
137	V	A	0.0000
138	D	A	-0.6845
139	W	A	-0.6442
140	S	A	-0.8648
141	N	A	-1.4853
142	I	A	0.0000
143	R	A	-0.6696
144	Q	A	-0.2886
145	L	A	0.8299
146	L	A	1.2365
147	L	A	1.9433
148	F	A	1.6247
149	P	A	0.4080
150	N	A	-0.4835
151	S	A	-0.0620
152	T	A	0.3251
153	I	A	1.0782
154	G	A	-0.6075
155	D	A	-1.5812
156	S	A	-0.8541
157	G	A	-0.2423
158	V	A	1.3660
159	P	A	0.8735
160	A	A	1.0025
161	L	A	1.7471
162	P	A	0.8019
163	S	A	0.9200
164	L	A	1.1735
165	T	A	0.2904
166	M	A	-0.0045
167	R	A	-2.2627
168	R	A	-2.7967
169	M	A	-1.6297
170	R	A	-3.1717
171	E	A	-3.2675
172	S	A	-1.8661
173	G	A	-1.3799
174	S	A	-1.1466
175	A	A	-0.0177
176	I	A	0.3604
177	H	A	-0.2218
178	A	A	0.2477
179	V	A	0.9580
180	L	A	0.6270
181	T	A	-0.3912
182	S	A	-0.2902
183	I	A	-0.1083
184	N	A	-0.8924
185	Q	A	-0.9155
186	S	A	-0.2217
187	S	A	0.5981
188	I	A	1.3282
189	A	A	0.5218
190	L	A	0.7117
191	A	A	0.1924
192	G	A	-0.3965
193	S	A	-0.6851
194	R	A	-1.9441
195	H	A	-2.1192
196	G	A	-1.6976
197	M	A	-1.0115
198	E	A	-2.2786
199	K	A	-1.4920
200	I	A	0.9244
201	W	A	0.1767
202	R	A	-2.0126
203	P	A	-1.5921
204	N	A	-2.0326
205	R	A	-1.5392
206	V	A	1.2851
207	F	A	1.1985
208	S	A	0.9548
209	L	A	1.5165
210	Q	A	-0.1585
211	D	A	0.0000
212	L	A	0.8962
213	C	A	0.2514
214	C	A	0.0000
215	R	A	-0.2755
216	A	A	0.0457
217	I	A	0.5551
218	V	A	0.0000
219	S	A	-0.0556
220	C	A	0.2328
221	T	A	-0.3179
222	P	A	-0.1187
223	V	A	-0.7496
224	H	A	-1.6419
225	L	A	-1.3109
226	I	A	0.0000
227	D	A	-2.5694
228	K	A	-2.5300
229	L	A	-0.8486
230	P	A	-0.3897
231	L	A	0.3130
232	P	A	0.7618
233	V	A	1.5296
234	T	A	0.9456
235	I	A	0.9125
236	K	A	-0.1143
237	S	A	-0.2299
238	H	A	-0.2781
239	L	A	0.0000
240	K	A	-0.7603
241	S	A	-0.0842
242	F	A	0.0033
243	S	A	0.0000
244	M	A	0.7486
245	A	A	0.3508
246	N	A	0.0191
247	G	A	0.3124
248	M	A	0.4872
249	N	A	0.3597
250	A	A	0.9660
251	V	A	1.8000
252	M	A	1.2429
253	M	A	0.6632
254	H	A	-0.6917
255	G	A	-1.1271
256	R	A	-1.8646
257	S	A	-0.5082
258	Y	A	0.9122
259	S	A	0.8835
260	L	A	1.6961
261	A	A	0.6741
262	S	A	-0.1299
263	G	A	-0.4553
264	A	A	-0.4466
265	G	A	-0.5883