Project name: d8f39363f2a1d48

Chain sequence(s)	A: MAEEYKNTVPEQETPKVATEESSAPEIKERGMFDFLKKKEEVKPQETTTLASEFEHKTQISEPESFVAKHEEEEHKPTLLEQLHQKHEEEEENKPSLLDKLHRSNSSSSSSSDEEGEDGEKKKKEKKKKIVEGDHVKTVEEENQGVMDRIKEKFPLGEKPGGDDVPVVTTMPAPHSVEDHKPEEEEKKGFMDKIKEKLPGHSKKPEDSQVVNTTPLVETATPIADIPEEKKGFMDKIKEKLPGYHAKTTGEEEKKEKVSD
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.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)

• Minimal score value: -5.8444
• Maximal score value: 2.8903
• Average score: -1.8063
• Total score value: -469.6475

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	0.3862
2	A	A	-0.6291
3	E	A	-2.2402
4	E	A	-2.5781
5	Y	A	-1.2770
6	K	A	-2.2372
7	N	A	-1.5112
8	T	A	-0.4707
9	V	A	0.3895
10	P	A	-1.0517
11	E	A	-2.5985
12	Q	A	-2.8540
13	E	A	-3.2878
14	T	A	-1.8695
15	P	A	-1.1983
16	K	A	-1.2194
17	V	A	0.5686
18	A	A	-0.4606
19	T	A	-1.3265
20	E	A	-2.5406
21	E	A	-2.8924
22	S	A	-1.8099
23	S	A	-1.5133
24	A	A	-0.7340
25	P	A	-0.8728
26	E	A	-1.8137
27	I	A	-0.6455
28	K	A	-2.8474
29	E	A	-3.3383
30	R	A	-2.5497
31	G	A	-1.0754
32	M	A	1.2514
33	F	A	1.9585
34	D	A	-0.6239
35	F	A	1.2704
36	L	A	0.7263
37	K	A	-2.1879
38	K	A	-3.3034
39	K	A	-3.5584
40	E	A	-4.0086
41	E	A	-2.9563
42	V	A	-1.0082
43	K	A	-2.1371
44	P	A	-1.8682
45	Q	A	-2.5362
46	E	A	-2.7754
47	T	A	-1.0058
48	T	A	-0.5326
49	T	A	-0.0368
50	L	A	1.2912
51	A	A	0.3324
52	S	A	-0.6525
53	E	A	-1.5209
54	F	A	-0.2003
55	E	A	-2.3482
56	H	A	-2.7173
57	K	A	-2.5516
58	T	A	-1.3386
59	Q	A	-1.1112
60	I	A	0.6120
61	S	A	-0.7797
62	E	A	-2.2692
63	P	A	-1.5326
64	E	A	-1.7791
65	S	A	0.0568
66	F	A	1.9237
67	V	A	1.8522
68	A	A	0.1728
69	K	A	-2.1626
70	H	A	-3.4141
71	E	A	-4.4536
72	E	A	-4.7556
73	E	A	-4.8377
74	E	A	-4.4669
75	H	A	-3.5340
76	K	A	-3.1489
77	P	A	-1.4982
78	T	A	0.0061
79	L	A	1.3816
80	L	A	1.3944
81	E	A	-1.4275
82	Q	A	-1.3196
83	L	A	-0.3166
84	H	A	-2.5629
85	Q	A	-3.8817
86	K	A	-4.7594
87	H	A	-4.9596
88	E	A	-5.4762
89	E	A	-5.8074
90	E	A	-5.7644
91	E	A	-5.8444
92	E	A	-5.1068
93	N	A	-4.1514
94	K	A	-3.6941
95	P	A	-2.3149
96	S	A	-1.2501
97	L	A	1.0579
98	L	A	0.9669
99	D	A	-1.7864
100	K	A	-1.6851
101	L	A	-0.1005
102	H	A	-2.0916
103	R	A	-2.8313
104	S	A	-2.3893
105	N	A	-2.2888
106	S	A	-1.3768
107	S	A	-0.9599
108	S	A	-0.7578
109	S	A	-0.6021
110	S	A	-0.7961
111	S	A	-1.1904
112	S	A	-1.9079
113	D	A	-3.3773
114	E	A	-4.0442
115	E	A	-4.0726
116	G	A	-3.4093
117	E	A	-3.9415
118	D	A	-3.8310
119	G	A	-3.1169
120	E	A	-4.0414
121	K	A	-4.3837
122	K	A	-4.3923
123	K	A	-4.6129
124	K	A	-4.6515
125	E	A	-4.6951
126	K	A	-4.6689
127	K	A	-4.2307
128	K	A	-3.2641
129	K	A	-1.9284
130	I	A	0.7725
131	V	A	0.7747
132	E	A	-1.3189
133	G	A	-1.6275
134	D	A	-2.4844
135	H	A	-1.6332
136	V	A	0.0109
137	K	A	-2.1927
138	T	A	-1.7613
139	V	A	-1.0044
140	E	A	-3.3647
141	E	A	-4.1318
142	E	A	-3.5496
143	N	A	-3.0854
144	Q	A	-3.2461
145	G	A	-2.3639
146	V	A	-1.0841
147	M	A	-0.9767
148	D	A	-2.5669
149	R	A	-2.5079
150	I	A	-0.1713
151	K	A	-1.9392
152	E	A	-2.8883
153	K	A	-1.9328
154	F	A	0.3730
155	P	A	-0.1743
156	L	A	0.5326
157	G	A	-0.9799
158	E	A	-2.6353
159	K	A	-2.8525
160	P	A	-2.4820
161	G	A	-2.1698
162	G	A	-2.1113
163	D	A	-2.5983
164	D	A	-1.8260
165	V	A	0.9978
166	P	A	1.2205
167	V	A	2.7392
168	V	A	2.8903
169	T	A	1.3978
170	T	A	1.1089
171	M	A	1.0942
172	P	A	0.2154
173	A	A	-0.2523
174	P	A	-0.6140
175	H	A	-0.9822
176	S	A	-0.5853
177	V	A	-0.1422
178	E	A	-2.5337
179	D	A	-3.1962
180	H	A	-3.3117
181	K	A	-3.8912
182	P	A	-3.6927
183	E	A	-4.5449
184	E	A	-5.1678
185	E	A	-4.9263
186	E	A	-4.4081
187	K	A	-4.0448
188	K	A	-3.7893
189	G	A	-2.3947
190	F	A	-0.7659
191	M	A	-1.1041
192	D	A	-2.9007
193	K	A	-2.6377
194	I	A	-1.0508
195	K	A	-2.8844
196	E	A	-3.6969
197	K	A	-2.9209
198	L	A	-1.3021
199	P	A	-1.0840
200	G	A	-1.9354
201	H	A	-2.8418
202	S	A	-2.7030
203	K	A	-3.2659
204	K	A	-3.5281
205	P	A	-2.8721
206	E	A	-3.4739
207	D	A	-3.3648
208	S	A	-1.5250
209	Q	A	-0.4791
210	V	A	1.6371
211	V	A	1.6055
212	N	A	-0.1439
213	T	A	0.0634
214	T	A	0.2207
215	P	A	0.5536
216	L	A	1.8357
217	V	A	1.4956
218	E	A	-0.5859
219	T	A	-0.6072
220	A	A	-0.2390
221	T	A	0.2639
222	P	A	0.4271
223	I	A	1.6346
224	A	A	0.6205
225	D	A	-0.5219
226	I	A	0.2989
227	P	A	-1.5869
228	E	A	-3.3625
229	E	A	-3.1296
230	K	A	-3.1849
231	K	A	-3.4618
232	G	A	-2.2259
233	F	A	-0.7026
234	M	A	-0.9857
235	D	A	-2.5729
236	K	A	-2.4174
237	I	A	-0.5153
238	K	A	-1.7348
239	E	A	-2.9595
240	K	A	-2.5244
241	L	A	-0.8115
242	P	A	-0.6864
243	G	A	-0.5996
244	Y	A	-0.5073
245	H	A	-1.5806
246	A	A	-1.1865
247	K	A	-2.1587
248	T	A	-1.5065
249	T	A	-1.8317
250	G	A	-2.7173
251	E	A	-3.8081
252	E	A	-4.2497
253	E	A	-4.8491
254	K	A	-4.7693
255	K	A	-4.1573
256	E	A	-3.7408
257	K	A	-2.7763
258	V	A	-0.3799
259	S	A	-0.9761
260	D	A	-1.6843