Project name: 52a9ea352a6630a

Chain sequence(s)	A: MAEEYKNNVPEHETPTVATEESPATTTEVTDRGLFDFLGKKEEEVKPQETTTLESEFDHKAQISEPELAAEHEEVKENKITLLEELQEKTEEDEENKPSVIEKLHRSNSSSSSSSDEEGEEKKEKKKKIVEGEEDKKGLVEKIKEKLPGHHDKTAEDDVPVSTTIPVPVSESVVEHDHPEEEKKGLVEKIKEKLPGHHDEKAEDSPAVTSTPLVVTEHPVEPTTELPVEHPEEKKGILEKIKEKLPGYHAKTTEEEVKKEKESDD
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: -5.161
• Maximal score value: 3.1198
• Average score: -1.6183
• Total score value: -428.8441

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	0.4512
2	A	A	-0.6066
3	E	A	-2.2730
4	E	A	-2.5720
5	Y	A	-1.3965
6	K	A	-2.5506
7	N	A	-2.1203
8	N	A	-1.6537
9	V	A	-0.1314
10	P	A	-1.2521
11	E	A	-2.5868
12	H	A	-2.6537
13	E	A	-2.9053
14	T	A	-1.3740
15	P	A	-0.4021
16	T	A	0.3945
17	V	A	1.4554
18	A	A	0.1673
19	T	A	-0.9969
20	E	A	-2.5640
21	E	A	-2.8713
22	S	A	-1.6582
23	P	A	-0.7765
24	A	A	-0.3813
25	T	A	-0.4061
26	T	A	-0.4554
27	T	A	-0.5158
28	E	A	-1.2798
29	V	A	0.0601
30	T	A	-1.2662
31	D	A	-2.5631
32	R	A	-2.1386
33	G	A	-0.6039
34	L	A	1.7373
35	F	A	2.3049
36	D	A	-0.1728
37	F	A	2.0986
38	L	A	1.6964
39	G	A	-0.8298
40	K	A	-3.0359
41	K	A	-3.8815
42	E	A	-4.4220
43	E	A	-4.1026
44	E	A	-2.9769
45	V	A	-0.3963
46	K	A	-1.7529
47	P	A	-1.7111
48	Q	A	-2.5788
49	E	A	-2.5272
50	T	A	-1.1057
51	T	A	-0.4337
52	T	A	-0.3263
53	L	A	0.1905
54	E	A	-1.3545
55	S	A	-1.4805
56	E	A	-1.8307
57	F	A	-0.6600
58	D	A	-2.4065
59	H	A	-2.6211
60	K	A	-2.4841
61	A	A	-1.3164
62	Q	A	-1.1000
63	I	A	0.6031
64	S	A	-0.7665
65	E	A	-1.9653
66	P	A	-1.3191
67	E	A	-1.7100
68	L	A	0.1311
69	A	A	-0.1309
70	A	A	-0.9086
71	E	A	-2.7109
72	H	A	-2.8425
73	E	A	-3.7790
74	E	A	-3.8321
75	V	A	-1.7539
76	K	A	-3.1133
77	E	A	-3.1270
78	N	A	-2.1285
79	K	A	-1.6490
80	I	A	0.4769
81	T	A	-0.3789
82	L	A	0.8007
83	L	A	1.0862
84	E	A	-1.5747
85	E	A	-1.5933
86	L	A	-0.1783
87	Q	A	-2.6617
88	E	A	-4.1271
89	K	A	-4.2093
90	T	A	-3.5234
91	E	A	-4.6568
92	E	A	-4.9400
93	D	A	-5.1610
94	E	A	-4.8971
95	E	A	-4.5567
96	N	A	-3.7307
97	K	A	-3.4358
98	P	A	-1.7216
99	S	A	-0.2614
100	V	A	1.4269
101	I	A	1.4687
102	E	A	-1.5233
103	K	A	-1.4801
104	L	A	0.0246
105	H	A	-1.9597
106	R	A	-2.8002
107	S	A	-2.0757
108	N	A	-2.2610
109	S	A	-1.3383
110	S	A	-0.8881
111	S	A	-0.6780
112	S	A	-0.5582
113	S	A	-0.5389
114	S	A	-1.1245
115	S	A	-1.6459
116	D	A	-3.3785
117	E	A	-3.8442
118	E	A	-3.6620
119	G	A	-3.2102
120	E	A	-3.6618
121	E	A	-4.0002
122	K	A	-4.3957
123	K	A	-4.3084
124	E	A	-4.4918
125	K	A	-4.3271
126	K	A	-3.8680
127	K	A	-3.2307
128	K	A	-1.6382
129	I	A	0.8289
130	V	A	0.7200
131	E	A	-1.8648
132	G	A	-2.4736
133	E	A	-4.1384
134	E	A	-4.9454
135	D	A	-4.4281
136	K	A	-3.7143
137	K	A	-3.4970
138	G	A	-1.9175
139	L	A	0.1128
140	V	A	0.1249
141	E	A	-2.2009
142	K	A	-1.9949
143	I	A	0.2507
144	K	A	-1.9347
145	E	A	-3.0833
146	K	A	-2.3718
147	L	A	-0.5249
148	P	A	-1.0496
149	G	A	-1.6630
150	H	A	-2.7243
151	H	A	-2.9620
152	D	A	-3.4325
153	K	A	-3.2593
154	T	A	-2.1952
155	A	A	-1.9800
156	E	A	-3.2563
157	D	A	-3.1854
158	D	A	-2.0183
159	V	A	0.7924
160	P	A	1.0174
161	V	A	1.7158
162	S	A	0.7518
163	T	A	0.5850
164	T	A	1.1248
165	I	A	2.1980
166	P	A	1.6728
167	V	A	2.3823
168	P	A	1.3521
169	V	A	1.5266
170	S	A	-0.1362
171	E	A	-1.2143
172	S	A	0.1075
173	V	A	1.5902
174	V	A	1.4674
175	E	A	-1.4245
176	H	A	-2.3927
177	D	A	-3.2494
178	H	A	-2.9014
179	P	A	-2.7782
180	E	A	-3.9720
181	E	A	-4.6707
182	E	A	-4.3067
183	K	A	-3.8054
184	K	A	-3.5858
185	G	A	-1.9410
186	L	A	0.0803
187	V	A	0.3951
188	E	A	-2.3437
189	K	A	-1.9289
190	I	A	0.3273
191	K	A	-1.8396
192	E	A	-3.3191
193	K	A	-2.2761
194	L	A	-0.3705
195	P	A	-0.9012
196	G	A	-1.4550
197	H	A	-2.2484
198	H	A	-3.2216
199	D	A	-4.1188
200	E	A	-4.0734
201	K	A	-3.6603
202	A	A	-2.9275
203	E	A	-3.3985
204	D	A	-2.8150
205	S	A	-1.4335
206	P	A	-0.5508
207	A	A	0.7675
208	V	A	1.6488
209	T	A	0.6712
210	S	A	0.1898
211	T	A	0.0485
212	P	A	0.8126
213	L	A	2.6862
214	V	A	3.1198
215	V	A	2.4355
216	T	A	0.2838
217	E	A	-1.7707
218	H	A	-1.6445
219	P	A	-0.7164
220	V	A	0.3551
221	E	A	-1.1414
222	P	A	-0.8098
223	T	A	-0.9550
224	T	A	-0.7627
225	E	A	-1.1787
226	L	A	0.7268
227	P	A	0.4566
228	V	A	0.8586
229	E	A	-1.6398
230	H	A	-2.2633
231	P	A	-2.6548
232	E	A	-4.1825
233	E	A	-4.3110
234	K	A	-3.9561
235	K	A	-3.5309
236	G	A	-1.0739
237	I	A	1.4009
238	L	A	1.0574
239	E	A	-1.7164
240	K	A	-1.7823
241	I	A	0.6976
242	K	A	-1.1191
243	E	A	-2.7443
244	K	A	-2.0403
245	L	A	-0.1993
246	P	A	-0.5791
247	G	A	-0.8701
248	Y	A	-0.6809
249	H	A	-1.7238
250	A	A	-1.4232
251	K	A	-2.6448
252	T	A	-2.2056
253	T	A	-2.2888
254	E	A	-3.3180
255	E	A	-3.9594
256	E	A	-3.8258
257	V	A	-1.9992
258	K	A	-3.9989
259	K	A	-4.5418
260	E	A	-4.5488
261	K	A	-4.4929
262	E	A	-4.4863
263	S	A	-3.4622
264	D	A	-3.8051
265	D	A	-2.9401