Project name: 5c26f8530852e7d

Chain sequence(s)	A: MALCVILIASIAVGAAAWGREGHRLTCMIAEPFLSSESKVALEELLPGRDLPELCSWADDIRRSYRFRWTGPLHYIDTPDNLCGYDYDRDCHDSRGEKDMCVAGAINNYSRQLETFQEAKLSLHKSYNLTEALLFLAHYVGDIHQPLHVAFTADAGGNGVHVHWFGRKANLHHIWDTEFIDRAKRLYYHDIFRMLRNISMSITENFDAWSSCETDPEACIDSYATESIHASCRWAYKDAVEGSYLEDDYFSSRLPIVEQRLAQGGVRLASILNRIFGAKSSESSI
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                                          (00:03:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:16)

• Minimal score value: -4.2279
• Maximal score value: 4.6183
• Average score: -0.6843
• Total score value: -195.0288

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	M	A	1.5688
2	A	A	1.7275
3	L	A	2.9509
4	C	A	3.2633
5	V	A	4.2426
6	I	A	4.6183
7	L	A	4.0896
8	I	A	3.8121
9	A	A	2.2540
10	S	A	1.8430
11	I	A	2.6785
12	A	A	1.6755
13	V	A	2.0516
14	G	A	0.4574
15	A	A	0.1535
16	A	A	-0.4164
17	A	A	0.0000
18	W	A	0.0000
19	G	A	0.0000
20	R	A	-2.3355
21	E	A	0.0000
22	G	A	0.0000
23	H	A	0.0000
24	R	A	-1.2978
25	L	A	0.0000
26	T	A	0.0000
27	C	A	0.0000
28	M	A	-0.5467
29	I	A	0.0000
30	A	A	0.0000
31	E	A	-1.2944
32	P	A	-0.6035
33	F	A	-0.0770
34	L	A	0.0000
35	S	A	-0.6888
36	S	A	-0.4703
37	E	A	-0.9564
38	S	A	0.0000
39	K	A	-1.1537
40	V	A	0.1080
41	A	A	0.0000
42	L	A	0.0000
43	E	A	-2.7846
44	E	A	-1.8672
45	L	A	-1.3973
46	L	A	0.0000
47	P	A	-2.2858
48	G	A	-2.3917
49	R	A	-3.6208
50	D	A	-3.6981
51	L	A	0.0000
52	P	A	-2.0736
53	E	A	-2.8879
54	L	A	-1.7147
55	C	A	0.0000
56	S	A	-1.2597
57	W	A	-0.8875
58	A	A	0.0000
59	D	A	0.0000
60	D	A	-2.2194
61	I	A	-1.6177
62	R	A	-1.9580
63	R	A	-2.7092
64	S	A	-1.5209
65	Y	A	-0.4473
66	R	A	-1.7413
67	F	A	-1.4824
68	R	A	-2.0446
69	W	A	-0.4258
70	T	A	0.0000
71	G	A	-0.5875
72	P	A	-0.3522
73	L	A	0.0000
74	H	A	0.0000
75	Y	A	0.3040
76	I	A	0.0000
77	D	A	-0.9108
78	T	A	0.0000
79	P	A	-0.9507
80	D	A	-1.8408
81	N	A	-1.3478
82	L	A	0.1184
83	C	A	-0.3416
84	G	A	-0.2915
85	Y	A	-0.7793
86	D	A	-1.7234
87	Y	A	-2.1095
88	D	A	-2.9310
89	R	A	-2.3129
90	D	A	0.0000
91	C	A	0.0000
92	H	A	-3.1534
93	D	A	0.0000
94	S	A	-1.8760
95	R	A	-2.9620
96	G	A	-3.0860
97	E	A	-3.8986
98	K	A	-4.2279
99	D	A	-3.3613
100	M	A	-2.0455
101	C	A	0.0000
102	V	A	0.0000
103	A	A	0.0000
104	G	A	0.0000
105	A	A	0.0000
106	I	A	0.0000
107	N	A	-1.7799
108	N	A	-1.8221
109	Y	A	0.0000
110	S	A	-1.8155
111	R	A	-2.8158
112	Q	A	-1.8983
113	L	A	0.0000
114	E	A	-3.0656
115	T	A	-2.3278
116	F	A	-1.8756
117	Q	A	-2.3057
118	E	A	-2.5813
119	A	A	-2.0698
120	K	A	-1.8224
121	L	A	0.0023
122	S	A	-0.3811
123	L	A	0.4750
124	H	A	-1.2406
125	K	A	-2.2459
126	S	A	-1.1186
127	Y	A	-0.8462
128	N	A	-1.4981
129	L	A	0.0000
130	T	A	-0.6854
131	E	A	-0.7838
132	A	A	0.0000
133	L	A	0.0000
134	L	A	0.0000
135	F	A	0.0000
136	L	A	0.0000
137	A	A	0.0000
138	H	A	0.0000
139	Y	A	0.0000
140	V	A	0.0000
141	G	A	0.0000
142	D	A	0.0000
143	I	A	0.0000
144	H	A	0.0000
145	Q	A	0.0000
146	P	A	0.0000
147	L	A	0.0000
148	H	A	0.0000
149	V	A	0.0000
150	A	A	0.0000
151	F	A	0.0000
152	T	A	-0.8783
153	A	A	-0.7153
154	D	A	-0.7137
155	A	A	-0.2642
156	G	A	0.0000
157	G	A	0.0000
158	N	A	-0.4438
159	G	A	-0.8983
160	V	A	-0.6841
161	H	A	-1.4780
162	V	A	0.0000
163	H	A	-1.5702
164	W	A	0.0000
165	F	A	-0.9109
166	G	A	-1.4188
167	R	A	-2.6223
168	K	A	-2.7380
169	A	A	-1.7547
170	N	A	-1.0739
171	L	A	0.0000
172	H	A	0.0000
173	H	A	-0.3834
174	I	A	0.0000
175	W	A	0.0000
176	D	A	0.0000
177	T	A	-0.8465
178	E	A	-0.8798
179	F	A	0.0000
180	I	A	0.0000
181	D	A	-1.5388
182	R	A	-1.2373
183	A	A	0.0000
184	K	A	-1.3101
185	R	A	-1.8307
186	L	A	0.2526
187	Y	A	0.6603
188	Y	A	0.0000
189	H	A	-1.4607
190	D	A	-0.9471
191	I	A	0.0000
192	F	A	0.0971
193	R	A	-1.4000
194	M	A	0.0000
195	L	A	-0.6992
196	R	A	-1.7777
197	N	A	-1.3197
198	I	A	0.0000
199	S	A	-0.6537
200	M	A	0.0335
201	S	A	-0.6208
202	I	A	0.0000
203	T	A	-0.8798
204	E	A	-1.9957
205	N	A	-1.5097
206	F	A	-0.8770
207	D	A	-1.9209
208	A	A	-1.0180
209	W	A	0.0000
210	S	A	-0.6895
211	S	A	-1.0969
212	C	A	-1.6790
213	E	A	-2.1211
214	T	A	-1.6574
215	D	A	-2.0598
216	P	A	-2.0055
217	E	A	-2.3251
218	A	A	-1.5417
219	C	A	-1.2755
220	I	A	0.0000
221	D	A	-1.1278
222	S	A	-0.7572
223	Y	A	0.0000
224	A	A	0.0000
225	T	A	-0.6648
226	E	A	-0.8348
227	S	A	0.0000
228	I	A	0.0000
229	H	A	-0.9948
230	A	A	0.0000
231	S	A	0.0000
232	C	A	-1.1190
233	R	A	-2.2474
234	W	A	-1.2316
235	A	A	0.0000
236	Y	A	-0.8707
237	K	A	-2.0134
238	D	A	-2.0109
239	A	A	0.0000
240	V	A	0.2778
241	E	A	-1.3772
242	G	A	-0.8477
243	S	A	-0.2661
244	Y	A	0.0462
245	L	A	0.0000
246	E	A	-1.8902
247	D	A	-2.9329
248	D	A	-2.9915
249	Y	A	0.0000
250	F	A	0.0000
251	S	A	-1.4719
252	S	A	-0.8774
253	R	A	0.0000
254	L	A	0.0000
255	P	A	-0.4599
256	I	A	-0.1674
257	V	A	0.0000
258	E	A	-0.7653
259	Q	A	-0.9693
260	R	A	0.0000
261	L	A	0.0000
262	A	A	0.0000
263	Q	A	0.0000
264	G	A	0.0000
265	G	A	0.0000
266	V	A	0.0000
267	R	A	0.0000
268	L	A	0.0000
269	A	A	0.0000
270	S	A	0.0000
271	I	A	-0.2657
272	L	A	0.0000
273	N	A	-0.9553
274	R	A	-1.6655
275	I	A	-1.4909
276	F	A	-1.1201
277	G	A	-1.4549
278	A	A	-1.8232
279	K	A	-2.9584
280	S	A	-1.8750
281	S	A	-1.5353
282	E	A	-2.1499
283	S	A	-1.1016
284	S	A	-0.1942
285	I	A	1.3564