Project name: 910a3da1cd7431

Chain sequence(s)	A: MKTFLIFVLLAMAMKIATAARELNPSNKELQSPQQSFSYQQQPFPQQPYPQQPYPSQQPYPSQQPFPTPQQQFPEQSQQPFTQPQQPTPIQPQQPFPQQPQQPQQPFPQPQQPFPWQPQQPFPQTQQSFPLQPQQPFPQQPQQPFPQPQLPFPQQSEQIIPQQLQQPFPLQPQQPFPQQPQQPFPQPQQPIPVQPQQSFPQQSQQSQQPFAQPQQLFPELQQPIPQQPQQPFPLQPQQPFPQQPQQPFPQQPQQSFPQQPQQPYPQQQPYGSSLTSIGGQ
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
pH calculations	No
alphaCutter usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)

• Minimal score value: -3.11
• Maximal score value: 5.8498
• Average score: -0.6071
• Total score value: -169.9956

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	M	A	1.3965
2	K	A	0.5400
3	T	A	2.1830
4	F	A	4.3786
5	L	A	4.9502
6	I	A	5.6507
7	F	A	5.8498
8	V	A	5.8124
9	L	A	5.6510
10	L	A	4.6939
11	A	A	3.5547
12	M	A	3.3240
13	A	A	2.5974
14	M	A	1.8503
15	K	A	0.3770
16	I	A	1.6235
17	A	A	0.4529
18	T	A	-0.5034
19	A	A	-0.3773
20	A	A	-0.8488
21	R	A	-2.3298
22	E	A	-2.3548
23	L	A	-0.5406
24	N	A	-1.9597
25	P	A	-1.8213
26	S	A	-2.0163
27	N	A	-2.9546
28	K	A	-3.1100
29	E	A	-2.7756
30	L	A	-0.7099
31	Q	A	-1.7056
32	S	A	-1.2456
33	P	A	-1.4873
34	Q	A	-1.9551
35	Q	A	-1.4425
36	S	A	-0.1235
37	F	A	1.4277
38	S	A	0.6404
39	Y	A	0.6221
40	Q	A	-1.3012
41	Q	A	-1.7575
42	Q	A	-1.5663
43	P	A	-0.6115
44	F	A	0.7137
45	P	A	-0.4843
46	Q	A	-1.2945
47	Q	A	-1.4003
48	P	A	-0.7869
49	Y	A	0.0972
50	P	A	-0.7893
51	Q	A	-1.4720
52	Q	A	-1.4931
53	P	A	-0.6388
54	Y	A	0.3645
55	P	A	-0.4293
56	S	A	-0.9514
57	Q	A	-1.6412
58	Q	A	-1.6891
59	P	A	-0.6244
60	Y	A	0.3532
61	P	A	-0.4337
62	S	A	-0.9574
63	Q	A	-1.5369
64	Q	A	-1.5109
65	P	A	-0.3078
66	F	A	1.1439
67	P	A	0.2166
68	T	A	-0.3188
69	P	A	-1.2006
70	Q	A	-2.0466
71	Q	A	-1.9314
72	Q	A	-1.5384
73	F	A	0.0741
74	P	A	-1.0183
75	E	A	-2.4192
76	Q	A	-2.4754
77	S	A	-2.3053
78	Q	A	-2.2708
79	Q	A	-1.6187
80	P	A	-0.4187
81	F	A	0.9003
82	T	A	-0.1858
83	Q	A	-1.3101
84	P	A	-1.5739
85	Q	A	-2.3232
86	Q	A	-2.1928
87	P	A	-0.9841
88	T	A	-0.4060
89	P	A	0.0891
90	I	A	1.0039
91	Q	A	-0.8973
92	P	A	-1.2797
93	Q	A	-1.7389
94	Q	A	-1.6669
95	P	A	-0.4885
96	F	A	0.7514
97	P	A	-0.4846
98	Q	A	-1.6667
99	Q	A	-2.1922
100	P	A	-2.1039
101	Q	A	-2.6364
102	Q	A	-2.5963
103	P	A	-2.0950
104	Q	A	-2.1845
105	Q	A	-1.6491
106	P	A	-0.4501
107	F	A	0.8826
108	P	A	-0.2911
109	Q	A	-1.4584
110	P	A	-1.6014
111	Q	A	-2.0889
112	Q	A	-1.6561
113	P	A	-0.1105
114	F	A	1.4020
115	P	A	0.7376
116	W	A	0.7262
117	Q	A	-1.0202
118	P	A	-1.4954
119	Q	A	-1.8537
120	Q	A	-1.6540
121	P	A	-0.4667
122	F	A	0.8827
123	P	A	-0.2842
124	Q	A	-1.3663
125	T	A	-1.4545
126	Q	A	-1.9990
127	Q	A	-1.5585
128	S	A	-0.0565
129	F	A	1.4809
130	P	A	0.8500
131	L	A	1.0937
132	Q	A	-0.8644
133	P	A	-1.4186
134	Q	A	-1.8155
135	Q	A	-1.6812
136	P	A	-0.5001
137	F	A	0.7445
138	P	A	-0.5078
139	Q	A	-1.6540
140	Q	A	-2.2145
141	P	A	-2.1459
142	Q	A	-2.1889
143	Q	A	-1.6592
144	P	A	-0.4685
145	F	A	0.8487
146	P	A	-0.3517
147	Q	A	-1.0883
148	P	A	-0.8294
149	Q	A	-0.7546
150	L	A	1.0779
151	P	A	0.9309
152	F	A	1.4558
153	P	A	-0.0679
154	Q	A	-1.6404
155	Q	A	-2.2375
156	S	A	-2.0611
157	E	A	-2.1016
158	Q	A	-0.8311
159	I	A	1.6916
160	I	A	1.8391
161	P	A	0.3792
162	Q	A	-0.8495
163	Q	A	-1.3229
164	L	A	-0.3342
165	Q	A	-1.3364
166	Q	A	-1.2035
167	P	A	0.1403
168	F	A	1.4942
169	P	A	0.8437
170	L	A	1.0856
171	Q	A	-0.8534
172	P	A	-1.4248
173	Q	A	-1.8118
174	Q	A	-1.6812
175	P	A	-0.4792
176	F	A	0.7578
177	P	A	-0.4905
178	Q	A	-1.6521
179	Q	A	-2.2031
180	P	A	-2.1158
181	Q	A	-2.1773
182	Q	A	-1.6636
183	P	A	-0.4872
184	F	A	0.8398
185	P	A	-0.3574
186	Q	A	-1.4469
187	P	A	-1.6533
188	Q	A	-2.0826
189	Q	A	-1.6614
190	P	A	-0.0184
191	I	A	1.6418
192	P	A	0.9657
193	V	A	1.3610
194	Q	A	-0.7531
195	P	A	-1.3421
196	Q	A	-1.7728
197	Q	A	-1.6392
198	S	A	-0.4844
199	F	A	0.7386
200	P	A	-0.4899
201	Q	A	-1.6602
202	Q	A	-2.2025
203	S	A	-2.1480
204	Q	A	-2.6389
205	Q	A	-2.5746
206	S	A	-2.0779
207	Q	A	-2.1769
208	Q	A	-1.5940
209	P	A	-0.3013
210	F	A	1.0866
211	A	A	0.1683
212	Q	A	-1.2308
213	P	A	-1.4933
214	Q	A	-1.5229
215	Q	A	-0.7141
216	L	A	1.2563
217	F	A	1.8053
218	P	A	0.3488
219	E	A	-0.9702
220	L	A	-0.1124
221	Q	A	-1.3993
222	Q	A	-1.1968
223	P	A	-0.2363
224	I	A	0.8064
225	P	A	-0.4741
226	Q	A	-1.6318
227	Q	A	-2.1960
228	P	A	-2.1237
229	Q	A	-2.2005
230	Q	A	-1.6776
231	P	A	-0.0817
232	F	A	1.4889
233	P	A	0.8531
234	L	A	1.0921
235	Q	A	-0.8525
236	P	A	-1.4021
237	Q	A	-1.8190
238	Q	A	-1.6707
239	P	A	-0.4620
240	F	A	0.7816
241	P	A	-0.4655
242	Q	A	-1.6545
243	Q	A	-2.2000
244	P	A	-2.1029
245	Q	A	-2.1905
246	Q	A	-1.6669
247	P	A	-0.4690
248	F	A	0.7728
249	P	A	-0.4847
250	Q	A	-1.6634
251	Q	A	-2.2074
252	P	A	-2.1185
253	Q	A	-2.1889
254	Q	A	-1.6367
255	S	A	-0.4460
256	F	A	0.7706
257	P	A	-0.4840
258	Q	A	-1.6603
259	Q	A	-2.2006
260	P	A	-2.1201
261	Q	A	-2.2772
262	Q	A	-1.8333
263	P	A	-0.7627
264	Y	A	0.1356
265	P	A	-0.9218
266	Q	A	-1.9590
267	Q	A	-2.1187
268	Q	A	-1.9688
269	P	A	-0.8078
270	Y	A	0.3718
271	G	A	0.0097
272	S	A	0.1564
273	S	A	0.3990
274	L	A	1.4864
275	T	A	1.0351
276	S	A	1.0065
277	I	A	1.7672
278	G	A	-0.0052
279	G	A	-0.8974
280	Q	A	-1.5228