Project name: 63242517db1030

Chain sequence(s)	A: MCKIANIIPNILLSIDWLSDIFVFSYLKQDHPREEFNDWPHGLLAIGTFGNKKQTPQTLDQEVIQEETVSNLHVEGRQAQDTDQELSSSDDLEEDFTPEEVGKLQKELTKLLTRRSKKRKSDVNRELANLPLDRFLNCPSSLEVDRRISNALCDEKEEDIERTISVILGRCKAISTESKNKTKKNKRDLSKTSVSHLLKKMFVCTEGFSPVPRPILRDTFQETRMEKLLRMMLHKKVNTQASSKQTSTKKYLQDKQQLSLKNEEEEGRSSNDGGKWVKTDSDFIVLEI
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)

• Minimal score value: -5.1534
• Maximal score value: 4.3915
• Average score: -0.768
• Total score value: -221.1928

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	1.3282
2	C	A	0.8252
3	K	A	-0.0952
4	I	A	2.1191
5	A	A	1.2330
6	N	A	0.5337
7	I	A	2.8797
8	I	A	3.7004
9	P	A	1.9173
10	N	A	1.7159
11	I	A	3.5911
12	L	A	3.7701
13	L	A	3.0417
14	S	A	2.4627
15	I	A	2.9438
16	D	A	1.1260
17	W	A	2.3635
18	L	A	3.2236
19	S	A	1.9884
20	D	A	1.4102
21	I	A	3.6517
22	F	A	4.3915
23	V	A	4.3529
24	F	A	3.8582
25	S	A	2.4048
26	Y	A	2.4927
27	L	A	1.9264
28	K	A	-1.0811
29	Q	A	-2.0927
30	D	A	-3.0507
31	H	A	-3.3601
32	P	A	-2.8751
33	R	A	-3.5720
34	E	A	-3.5499
35	E	A	-2.8411
36	F	A	-0.5416
37	N	A	-1.6418
38	D	A	-1.7076
39	W	A	0.0519
40	P	A	-0.4929
41	H	A	-0.5747
42	G	A	0.3608
43	L	A	2.2514
44	L	A	2.4617
45	A	A	1.8765
46	I	A	2.6601
47	G	A	1.1321
48	T	A	0.8311
49	F	A	1.5195
50	G	A	-0.7553
51	N	A	-2.2821
52	K	A	-3.4854
53	K	A	-3.4433
54	Q	A	-2.5052
55	T	A	-1.3770
56	P	A	-1.1267
57	Q	A	-1.0496
58	T	A	-0.3791
59	L	A	0.0472
60	D	A	-1.9978
61	Q	A	-2.2144
62	E	A	-1.5532
63	V	A	1.3253
64	I	A	1.4736
65	Q	A	-1.0174
66	E	A	-2.9424
67	E	A	-2.6310
68	T	A	-0.5708
69	V	A	0.9396
70	S	A	0.3874
71	N	A	-0.4532
72	L	A	0.7518
73	H	A	0.0970
74	V	A	0.6062
75	E	A	-1.8511
76	G	A	-2.1374
77	R	A	-3.1045
78	Q	A	-2.4583
79	A	A	-1.8921
80	Q	A	-2.3013
81	D	A	-2.9319
82	T	A	-2.5654
83	D	A	-3.0811
84	Q	A	-2.8075
85	E	A	-2.1193
86	L	A	0.0268
87	S	A	-0.4076
88	S	A	-1.0058
89	S	A	-1.5263
90	D	A	-2.6658
91	D	A	-2.6247
92	L	A	-1.6899
93	E	A	-2.8917
94	E	A	-2.7836
95	D	A	-2.1167
96	F	A	0.0059
97	T	A	-0.6934
98	P	A	-1.0012
99	E	A	-2.1553
100	E	A	-1.5786
101	V	A	-0.0002
102	G	A	-1.8580
103	K	A	-2.6915
104	L	A	-0.8308
105	Q	A	-2.0605
106	K	A	-2.9448
107	E	A	-1.9834
108	L	A	0.0571
109	T	A	-0.8115
110	K	A	-1.8612
111	L	A	0.1594
112	L	A	0.3765
113	T	A	-1.4331
114	R	A	-3.0008
115	R	A	-3.4185
116	S	A	-3.1104
117	K	A	-4.4714
118	K	A	-4.6668
119	R	A	-4.5271
120	K	A	-3.8105
121	S	A	-2.6853
122	D	A	-2.8052
123	V	A	-1.6646
124	N	A	-2.6570
125	R	A	-3.1222
126	E	A	-2.4299
127	L	A	-0.2054
128	A	A	-1.1859
129	N	A	-1.5131
130	L	A	0.6927
131	P	A	0.7391
132	L	A	1.7499
133	D	A	0.5554
134	R	A	-0.5258
135	F	A	1.9833
136	L	A	1.5787
137	N	A	-0.2720
138	C	A	0.5450
139	P	A	0.0427
140	S	A	-0.3017
141	S	A	0.2664
142	L	A	0.5884
143	E	A	-1.3687
144	V	A	-0.2431
145	D	A	-2.1281
146	R	A	-3.0348
147	R	A	-2.6366
148	I	A	-0.1263
149	S	A	-0.7655
150	N	A	-1.2986
151	A	A	0.2011
152	L	A	0.8478
153	C	A	-0.9470
154	D	A	-3.3064
155	E	A	-4.0841
156	K	A	-4.6935
157	E	A	-4.9393
158	E	A	-5.1534
159	D	A	-4.1794
160	I	A	-1.5090
161	E	A	-2.6247
162	R	A	-2.3978
163	T	A	0.2381
164	I	A	1.9938
165	S	A	1.1434
166	V	A	1.9442
167	I	A	2.6765
168	L	A	2.1491
169	G	A	0.5742
170	R	A	-0.1514
171	C	A	0.6755
172	K	A	-0.9211
173	A	A	-0.5699
174	I	A	0.3610
175	S	A	-1.0356
176	T	A	-1.7547
177	E	A	-2.6698
178	S	A	-2.3828
179	K	A	-3.5606
180	N	A	-4.0367
181	K	A	-4.3398
182	T	A	-3.6564
183	K	A	-4.1654
184	K	A	-4.6323
185	N	A	-4.3549
186	K	A	-4.0930
187	R	A	-3.7821
188	D	A	-3.1818
189	L	A	-0.6823
190	S	A	-0.9723
191	K	A	-1.5338
192	T	A	-0.4353
193	S	A	0.3085
194	V	A	1.3922
195	S	A	-0.0058
196	H	A	-0.4125
197	L	A	1.7261
198	L	A	1.8007
199	K	A	-0.0241
200	K	A	0.1498
201	M	A	2.0248
202	F	A	2.4869
203	V	A	2.0365
204	C	A	1.5056
205	T	A	0.8031
206	E	A	-0.5565
207	G	A	-0.0492
208	F	A	1.4143
209	S	A	0.6405
210	P	A	0.6723
211	V	A	1.2527
212	P	A	-0.0545
213	R	A	-0.9049
214	P	A	0.1961
215	I	A	1.2016
216	L	A	0.7912
217	R	A	-1.0974
218	D	A	-1.4837
219	T	A	-0.8976
220	F	A	0.3570
221	Q	A	-1.5061
222	E	A	-2.1345
223	T	A	-1.5551
224	R	A	-2.1623
225	M	A	-0.0795
226	E	A	-1.2257
227	K	A	-1.3154
228	L	A	1.3487
229	L	A	1.6750
230	R	A	-0.3640
231	M	A	0.9164
232	M	A	1.3861
233	L	A	1.0078
234	H	A	-0.7437
235	K	A	-1.7828
236	K	A	-1.6462
237	V	A	-0.1389
238	N	A	-1.9006
239	T	A	-1.6590
240	Q	A	-1.5020
241	A	A	-1.1559
242	S	A	-1.3901
243	S	A	-1.6324
244	K	A	-2.4915
245	Q	A	-2.2214
246	T	A	-1.2232
247	S	A	-1.1281
248	T	A	-1.5186
249	K	A	-2.4385
250	K	A	-1.7143
251	Y	A	0.6312
252	L	A	0.8017
253	Q	A	-1.3836
254	D	A	-3.0585
255	K	A	-3.6395
256	Q	A	-2.6973
257	Q	A	-1.4713
258	L	A	0.9225
259	S	A	0.7557
260	L	A	0.6185
261	K	A	-1.9343
262	N	A	-3.0802
263	E	A	-4.2608
264	E	A	-4.3792
265	E	A	-4.3046
266	E	A	-3.9768
267	G	A	-3.0350
268	R	A	-3.0371
269	S	A	-2.1769
270	S	A	-2.2418
271	N	A	-2.7845
272	D	A	-3.1417
273	G	A	-2.3460
274	G	A	-1.6576
275	K	A	-1.4620
276	W	A	0.5424
277	V	A	0.7043
278	K	A	-1.2636
279	T	A	-1.4077
280	D	A	-2.4403
281	S	A	-1.3604
282	D	A	-0.8570
283	F	A	2.5116
284	I	A	3.6030
285	V	A	3.6067
286	L	A	2.8194
287	E	A	0.6172
288	I	A	1.7436