Project name: be55f3007862e09

Chain sequence(s)	A: MDAMKRGLCCVLLLCGAVFVSPEAAAKAKFVAAWTLKAAAAAYYVKVNIRDIAAYLYIEDLLSRAAYAVYNPALGYAAYRNQAAKGETAAYSSQESLSDLAAYDACLGLLAVAAYYTDASFANRGPGPGRNQAAKGETRCFAKVGPGPGSQESLSDLGAIESLRGPGPGLLLLYIEDLLSRCSSGPGPGLLNYAVYNPALGYSQGPGPGRIKILCATYVKVNIRGPGPGSDACLGLLAVAAVAAGPGPGVYREYTDASFANRKEGPGPGYTDASFANRKERGPEEEIFMYLLTVFLITQMIGSALFAV
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                                          (00:06:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:54)

• Minimal score value: -3.6057
• Maximal score value: 3.3593
• Average score: -0.4329
• Total score value: -133.321

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	0.0653
2	D	A	-1.0965
3	A	A	-0.0401
4	M	A	0.2894
5	K	A	-0.7993
6	R	A	-0.0715
7	G	A	0.9007
8	L	A	2.1068
9	C	A	1.7328
10	C	A	0.0000
11	V	A	2.5746
12	L	A	3.1013
13	L	A	2.3582
14	L	A	2.3394
15	C	A	2.5887
16	G	A	2.2195
17	A	A	0.0000
18	V	A	3.3593
19	F	A	3.2868
20	V	A	2.0977
21	S	A	0.3617
22	P	A	-0.5522
23	E	A	-2.1571
24	A	A	-0.9416
25	A	A	0.0000
26	A	A	-0.8191
27	K	A	-2.0098
28	A	A	-0.2743
29	K	A	0.0000
30	F	A	0.0000
31	V	A	0.3782
32	A	A	0.0000
33	A	A	0.1323
34	W	A	0.5367
35	T	A	0.2127
36	L	A	0.0000
37	K	A	-0.8262
38	A	A	-0.2324
39	A	A	0.0000
40	A	A	0.0000
41	A	A	0.2040
42	A	A	0.1862
43	Y	A	0.0000
44	Y	A	0.0000
45	V	A	0.8466
46	K	A	-0.5900
47	V	A	-0.2824
48	N	A	-0.5198
49	I	A	0.6828
50	R	A	-1.1746
51	D	A	-0.5981
52	I	A	0.6605
53	A	A	0.5835
54	A	A	0.6384
55	Y	A	0.0000
56	L	A	1.5255
57	Y	A	1.3992
58	I	A	0.0000
59	E	A	-0.7944
60	D	A	-1.8083
61	L	A	-0.8717
62	L	A	0.0000
63	S	A	-1.3867
64	R	A	-1.9952
65	A	A	0.0000
66	A	A	-0.4071
67	Y	A	0.2322
68	A	A	0.0000
69	V	A	0.0000
70	Y	A	0.6957
71	N	A	0.5140
72	P	A	0.5446
73	A	A	0.6679
74	L	A	1.5133
75	G	A	0.1508
76	Y	A	0.1323
77	A	A	-0.2494
78	A	A	-0.5635
79	Y	A	-0.7845
80	R	A	-1.9529
81	N	A	-2.3843
82	Q	A	-2.0155
83	A	A	-1.4565
84	A	A	-1.6574
85	K	A	-2.6034
86	G	A	-2.1155
87	E	A	-2.6531
88	T	A	-1.1525
89	A	A	-0.3695
90	A	A	-0.3296
91	Y	A	0.6842
92	S	A	0.2034
93	S	A	-0.5355
94	Q	A	-1.1984
95	E	A	-1.0113
96	S	A	-0.1278
97	L	A	0.5625
98	S	A	-0.3001
99	D	A	0.1452
100	L	A	0.0000
101	A	A	-0.0610
102	A	A	-0.0492
103	Y	A	0.0000
104	D	A	0.0000
105	A	A	0.0000
106	C	A	0.0000
107	L	A	0.0000
108	G	A	0.0000
109	L	A	0.0000
110	L	A	0.0000
111	A	A	0.0000
112	V	A	0.0000
113	A	A	0.0000
114	A	A	0.0000
115	Y	A	0.1850
116	Y	A	0.0000
117	T	A	0.0000
118	D	A	-0.5525
119	A	A	0.0000
120	S	A	0.0000
121	F	A	-1.1684
122	A	A	-2.0344
123	N	A	-1.8170
124	R	A	-2.3282
125	G	A	-1.9274
126	P	A	-1.2936
127	G	A	-1.6809
128	P	A	-2.0654
129	G	A	-1.8151
130	R	A	-2.3963
131	N	A	-2.9047
132	Q	A	-2.4113
133	A	A	0.0000
134	A	A	-2.9986
135	K	A	-3.0478
136	G	A	-2.7461
137	E	A	-3.6057
138	T	A	-2.5988
139	R	A	-2.6481
140	C	A	0.0000
141	F	A	-0.7973
142	A	A	-0.8109
143	K	A	-1.4644
144	V	A	0.0000
145	G	A	0.0000
146	P	A	-1.1733
147	G	A	-1.0652
148	P	A	-1.0999
149	G	A	-1.1967
150	S	A	-1.4064
151	Q	A	-1.8803
152	E	A	-1.9059
153	S	A	-1.1714
154	L	A	-0.2535
155	S	A	-0.9419
156	D	A	-2.2156
157	L	A	-0.9965
158	G	A	-1.6030
159	A	A	-1.1890
160	I	A	0.0000
161	E	A	-2.8362
162	S	A	-1.5868
163	L	A	0.0000
164	R	A	-2.6805
165	G	A	-1.3068
166	P	A	0.0000
167	G	A	0.0000
168	P	A	-0.1361
169	G	A	0.0887
170	L	A	0.9373
171	L	A	0.0000
172	L	A	0.7142
173	L	A	1.0354
174	Y	A	0.3007
175	I	A	0.0000
176	E	A	-1.6874
177	D	A	-2.2973
178	L	A	-1.6064
179	L	A	0.0000
180	S	A	-2.3029
181	R	A	-2.6972
182	C	A	0.0000
183	S	A	-1.4191
184	S	A	-0.9962
185	G	A	-0.7767
186	P	A	-0.4000
187	G	A	-0.0713
188	P	A	-0.2497
189	G	A	0.0000
190	L	A	0.2553
191	L	A	0.0000
192	N	A	-0.7873
193	Y	A	0.5676
194	A	A	0.0000
195	V	A	0.3031
196	Y	A	-0.1031
197	N	A	-0.6397
198	P	A	-0.0774
199	A	A	0.0030
200	L	A	-0.4879
201	G	A	-0.3912
202	Y	A	0.6969
203	S	A	0.0000
204	Q	A	-1.3979
205	G	A	-1.0668
206	P	A	-1.0542
207	G	A	-0.9283
208	P	A	-0.9503
209	G	A	-0.9809
210	R	A	-1.0402
211	I	A	0.0000
212	K	A	-0.9951
213	I	A	-0.5064
214	L	A	-0.0437
215	C	A	-0.2218
216	A	A	-0.2725
217	T	A	0.0000
218	Y	A	-0.1272
219	V	A	0.0000
220	K	A	-1.7703
221	V	A	-0.8013
222	N	A	-1.5924
223	I	A	-0.9372
224	R	A	-2.0698
225	G	A	-1.6637
226	P	A	-1.2365
227	G	A	-1.1414
228	P	A	-1.2499
229	G	A	-1.1689
230	S	A	-1.4811
231	D	A	-1.5087
232	A	A	0.0000
233	C	A	0.0000
234	L	A	0.1625
235	G	A	0.0000
236	L	A	0.0000
237	L	A	0.0000
238	A	A	0.0395
239	V	A	0.0000
240	A	A	0.0000
241	A	A	0.0000
242	V	A	0.0000
243	A	A	0.0000
244	A	A	0.0000
245	G	A	0.0000
246	P	A	0.0708
247	G	A	0.0000
248	P	A	-0.5587
249	G	A	-1.0021
250	V	A	0.0000
251	Y	A	-0.4867
252	R	A	0.0000
253	E	A	-1.1525
254	Y	A	-0.8797
255	T	A	-0.9603
256	D	A	-0.9511
257	A	A	-0.3904
258	S	A	-0.1334
259	F	A	0.1412
260	A	A	-0.3830
261	N	A	-1.8030
262	R	A	-2.1119
263	K	A	-2.1318
264	E	A	-2.2507
265	G	A	-1.6322
266	P	A	-1.3652
267	G	A	-1.3914
268	P	A	-0.9884
269	G	A	-0.9137
270	Y	A	0.0000
271	T	A	-0.1530
272	D	A	-0.1934
273	A	A	0.0274
274	S	A	-0.1195
275	F	A	-0.0426
276	A	A	-0.4680
277	N	A	-1.3156
278	R	A	0.0000
279	K	A	-2.4170
280	E	A	-2.0809
281	R	A	-1.9582
282	G	A	-1.5370
283	P	A	-1.2067
284	E	A	-1.5331
285	E	A	-0.7764
286	E	A	-0.4194
287	I	A	1.1849
288	F	A	0.7907
289	M	A	0.0000
290	Y	A	0.9318
291	L	A	1.1131
292	L	A	0.0000
293	T	A	0.0000
294	V	A	0.5911
295	F	A	0.0000
296	L	A	0.0000
297	I	A	0.0000
298	T	A	0.2999
299	Q	A	0.0601
300	M	A	0.0000
301	I	A	-0.0222
302	G	A	0.6750
303	S	A	0.0000
304	A	A	0.0000
305	L	A	1.3633
306	F	A	1.5671
307	A	A	1.4787
308	V	A	2.1835