Project name: cbd643ede1851ea

Chain sequence(s)	A: MDAMKRGLCCVLLLCGAVFVSPEAAAKAKFVAAWTLKAAAAAYYVKVNIRDIAAYLYIEDLLSRAAYAVYNPALGYAAYGQDWRVKSAAAYSSQESLSDLAAYDACLGLLAVAAYYTDASFANRGPGPGRTGQDWRVKSAFKCSGPGPGSQESLSDLGAIESLRGPGPGLLLLYIEDLLSRCSSGPGPGLLNYAVYNPALGYSQGPGPGRIKILCATYVKVNIRGPGPGSDACLGLLAVAAVAAGPGPGVYREYTDASFANRKEGPGPGYTDASFANRKERGPEEEIFMYLLTVFLITQMIGSALFAV
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                                          (00:03:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:35)

• Minimal score value: -4.3726
• Maximal score value: 3.7619
• Average score: 0.0288
• Total score value: 8.8649

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	-0.2903
2	D	A	-2.0359
3	A	A	-1.1691
4	M	A	-0.6406
5	K	A	-1.8551
6	R	A	-1.8007
7	G	A	-0.0841
8	L	A	1.5182
9	C	A	1.8748
10	C	A	2.2984
11	V	A	3.2401
12	L	A	3.7619
13	L	A	3.6389
14	L	A	2.9643
15	C	A	3.0244
16	G	A	2.6697
17	A	A	1.9409
18	V	A	2.7113
19	F	A	3.2756
20	V	A	2.4721
21	S	A	0.5301
22	P	A	-0.5330
23	E	A	-2.1386
24	A	A	-0.7645
25	A	A	-0.0364
26	A	A	-0.9742
27	K	A	-1.6838
28	A	A	-0.1763
29	K	A	-0.2862
30	F	A	1.4232
31	V	A	1.3842
32	A	A	1.0300
33	A	A	1.0757
34	W	A	1.7113
35	T	A	1.1651
36	L	A	1.4188
37	K	A	-0.2534
38	A	A	0.4072
39	A	A	0.9924
40	A	A	0.9698
41	A	A	1.1311
42	A	A	1.3010
43	Y	A	2.1752
44	Y	A	2.4608
45	V	A	2.1905
46	K	A	0.6452
47	V	A	0.8293
48	N	A	0.3455
49	I	A	1.4706
50	R	A	-0.5468
51	D	A	0.0635
52	I	A	2.1969
53	A	A	1.6689
54	A	A	1.4574
55	Y	A	2.6137
56	L	A	2.6228
57	Y	A	2.5901
58	I	A	2.0817
59	E	A	-0.1356
60	D	A	-0.4773
61	L	A	0.5917
62	L	A	0.8829
63	S	A	-0.5832
64	R	A	-1.1728
65	A	A	0.1811
66	A	A	0.8941
67	Y	A	1.0840
68	A	A	0.9295
69	V	A	1.9985
70	Y	A	1.7986
71	N	A	1.2618
72	P	A	0.9077
73	A	A	0.8433
74	L	A	1.9619
75	G	A	1.4686
76	Y	A	2.2591
77	A	A	0.0000
78	A	A	0.7774
79	Y	A	1.5155
80	G	A	0.4891
81	Q	A	-0.2755
82	D	A	-0.3765
83	W	A	-0.0106
84	R	A	-1.2205
85	V	A	0.0224
86	K	A	-1.1436
87	S	A	-0.5520
88	A	A	0.0053
89	A	A	-0.1474
90	A	A	-0.3910
91	Y	A	0.1132
92	S	A	-0.4603
93	S	A	-0.6169
94	Q	A	-1.3586
95	E	A	-2.0379
96	S	A	-0.8818
97	L	A	0.4832
98	S	A	-0.8486
99	D	A	-1.4131
100	L	A	0.4489
101	A	A	0.0602
102	A	A	0.0146
103	Y	A	0.4004
104	D	A	-0.8963
105	A	A	0.0458
106	C	A	0.7280
107	L	A	0.2254
108	G	A	0.5802
109	L	A	1.9667
110	L	A	1.3779
111	A	A	0.0000
112	V	A	2.2791
113	A	A	1.8485
114	A	A	1.3960
115	Y	A	2.3342
116	Y	A	2.2193
117	T	A	1.0532
118	D	A	0.4230
119	A	A	0.1784
120	S	A	-0.2485
121	F	A	-0.4269
122	A	A	-1.0803
123	N	A	-2.0567
124	R	A	-2.3609
125	G	A	-1.5761
126	P	A	-1.2762
127	G	A	-1.0532
128	P	A	-0.9932
129	G	A	-1.2355
130	R	A	-1.1627
131	T	A	-0.8928
132	G	A	-0.9790
133	Q	A	-1.0292
134	D	A	-1.0257
135	W	A	-0.0041
136	R	A	-0.5953
137	V	A	-0.5859
138	K	A	-0.9315
139	S	A	-0.6690
140	A	A	-0.5825
141	F	A	-0.1525
142	K	A	-1.3546
143	C	A	-0.3104
144	S	A	-0.7888
145	G	A	-1.1674
146	P	A	-0.9300
147	G	A	-0.6346
148	P	A	-0.5798
149	G	A	0.0000
150	S	A	0.0000
151	Q	A	-1.8419
152	E	A	-2.7899
153	S	A	-1.7069
154	L	A	-0.9867
155	S	A	-1.8776
156	D	A	-2.4130
157	L	A	-0.9093
158	G	A	-1.3244
159	A	A	-0.8104
160	I	A	-0.6845
161	E	A	-1.8173
162	S	A	-0.8845
163	L	A	0.1408
164	R	A	-1.7921
165	G	A	-0.9810
166	P	A	-0.0600
167	G	A	-0.2830
168	P	A	0.2213
169	G	A	0.0557
170	L	A	0.9574
171	L	A	1.8360
172	L	A	1.8169
173	L	A	1.2687
174	Y	A	2.1769
175	I	A	1.6024
176	E	A	-0.2252
177	D	A	0.0377
178	L	A	0.6685
179	L	A	0.8304
180	S	A	-0.4944
181	R	A	-1.4887
182	C	A	-0.5864
183	S	A	-0.5718
184	S	A	-0.9929
185	G	A	-1.0020
186	P	A	-0.8304
187	G	A	-0.8368
188	P	A	-0.3942
189	G	A	-0.3351
190	L	A	0.6163
191	L	A	0.9002
192	N	A	1.0002
193	Y	A	2.3044
194	A	A	2.2713
195	V	A	2.8213
196	Y	A	2.3954
197	N	A	1.5968
198	P	A	1.2495
199	A	A	1.0743
200	L	A	2.1831
201	G	A	1.8392
202	Y	A	1.6512
203	S	A	-0.0245
204	Q	A	-1.1739
205	G	A	-0.9124
206	P	A	-0.8932
207	G	A	-1.3077
208	P	A	-0.9959
209	G	A	-1.1402
210	R	A	-0.9614
211	I	A	-0.0914
212	K	A	-0.7324
213	I	A	1.1232
214	L	A	0.9613
215	C	A	0.5663
216	A	A	0.4295
217	T	A	0.4964
218	Y	A	0.0000
219	V	A	0.3920
220	K	A	-0.6659
221	V	A	0.5665
222	N	A	-1.1490
223	I	A	-1.2417
224	R	A	-2.0764
225	G	A	-1.3499
226	P	A	-1.1711
227	G	A	-1.1676
228	P	A	-1.2844
229	G	A	-1.0723
230	S	A	-1.1719
231	D	A	-1.3012
232	A	A	-0.1497
233	C	A	0.0000
234	L	A	1.1190
235	G	A	0.7588
236	L	A	0.0000
237	L	A	0.7862
238	A	A	0.9802
239	V	A	1.0367
240	A	A	0.0000
241	A	A	0.2433
242	V	A	0.2768
243	A	A	0.1926
244	A	A	-0.1823
245	G	A	-0.3671
246	P	A	-0.5609
247	G	A	-0.9065
248	P	A	-1.1471
249	G	A	-1.4117
250	V	A	-1.0279
251	Y	A	-1.0947
252	R	A	-3.0392
253	E	A	-2.7216
254	Y	A	-0.7194
255	T	A	0.0000
256	D	A	-2.7998
257	A	A	-1.7984
258	S	A	-1.6115
259	F	A	-2.1472
260	A	A	-2.2971
261	N	A	-3.2022
262	R	A	-3.2955
263	K	A	-3.4486
264	E	A	-3.5998
265	G	A	-2.6685
266	P	A	-1.9723
267	G	A	-1.2215
268	P	A	-0.5163
269	G	A	-0.5947
270	Y	A	-0.2310
271	T	A	-0.6365
272	D	A	-1.6703
273	A	A	-1.2024
274	S	A	-1.4316
275	F	A	-1.6207
276	A	A	-2.0851
277	N	A	-2.9307
278	R	A	-3.6797
279	K	A	-3.6570
280	E	A	-3.9322
281	R	A	-4.3726
282	G	A	-3.5912
283	P	A	-2.8492
284	E	A	-2.5530
285	E	A	-2.4687
286	E	A	-1.7152
287	I	A	0.1496
288	F	A	0.8921
289	M	A	1.3606
290	Y	A	1.9770
291	L	A	1.9311
292	L	A	2.3535
293	T	A	2.0451
294	V	A	1.9877
295	F	A	2.0357
296	L	A	2.6401
297	I	A	2.4508
298	T	A	1.4642
299	Q	A	0.9462
300	M	A	2.2273
301	I	A	2.5122
302	G	A	1.7388
303	S	A	1.7642
304	A	A	2.2659
305	L	A	3.3694
306	F	A	3.4604
307	A	A	2.4465
308	V	A	2.8957