Project name: d038ef6b414a6a4

Chain sequence(s)	A: MARSNVPKFGNWEAEENVPYTAYFDKARKTRAPGSKIMNPNDPEYNSDSQSQAPPHPPSSRTKPEQVDTVRRSREHMRSREESELKQFGDAGGSSNEAANKRQGRASQNNSYDNKSPLHKNSYDGTGKSRPKPTNLRADESPEKVTVVPKFGDWDENNPSSADGYTHIFNKVREERSSGANVSGSSRTPTHQSSRNPNNTSSCCCFGFGGK
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: -4.3279
• Maximal score value: 2.6396
• Average score: -1.424
• Total score value: -300.4583

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	0.5845
2	A	A	-0.5386
3	R	A	-1.7409
4	S	A	-1.2428
5	N	A	-1.2548
6	V	A	0.6394
7	P	A	-0.1420
8	K	A	-0.9157
9	F	A	0.9273
10	G	A	-0.5493
11	N	A	-1.7242
12	W	A	-0.8316
13	E	A	-2.6777
14	A	A	-2.3891
15	E	A	-3.2907
16	E	A	-3.2816
17	N	A	-2.2582
18	V	A	-0.5098
19	P	A	0.4956
20	Y	A	1.7528
21	T	A	0.9426
22	A	A	0.4398
23	Y	A	1.0174
24	F	A	0.6238
25	D	A	-1.5225
26	K	A	-2.6227
27	A	A	-2.0941
28	R	A	-3.1353
29	K	A	-3.5975
30	T	A	-2.6192
31	R	A	-2.7802
32	A	A	-1.6689
33	P	A	-1.5304
34	G	A	-1.0176
35	S	A	-1.0343
36	K	A	-0.8344
37	I	A	0.9264
38	M	A	0.6408
39	N	A	-0.8234
40	P	A	-1.1835
41	N	A	-2.0315
42	D	A	-1.9684
43	P	A	-2.4453
44	E	A	-2.8433
45	Y	A	-1.9483
46	N	A	-2.9115
47	S	A	-2.7115
48	D	A	-3.2042
49	S	A	-2.4871
50	Q	A	-2.4973
51	S	A	-2.1464
52	Q	A	-2.1710
53	A	A	-1.1502
54	P	A	-0.9847
55	P	A	-1.1496
56	H	A	-1.3987
57	P	A	-1.0463
58	P	A	-1.0549
59	S	A	-1.1451
60	S	A	-1.3405
61	R	A	-2.4565
62	T	A	-2.1914
63	K	A	-2.6673
64	P	A	-2.2882
65	E	A	-2.5551
66	Q	A	-1.5543
67	V	A	-0.1862
68	D	A	-0.8356
69	T	A	-0.1569
70	V	A	0.0610
71	R	A	-2.2755
72	R	A	-3.0126
73	S	A	-2.9121
74	R	A	-3.5396
75	E	A	-3.0571
76	H	A	-2.2769
77	M	A	-1.0557
78	R	A	-2.0791
79	S	A	-2.1583
80	R	A	-3.6327
81	E	A	-3.9099
82	E	A	-3.4800
83	S	A	-2.2592
84	E	A	-2.4847
85	L	A	-0.5247
86	K	A	-1.5407
87	Q	A	-1.0676
88	F	A	0.4693
89	G	A	-0.7618
90	D	A	-1.7109
91	A	A	-1.2921
92	G	A	-1.1005
93	G	A	-0.8315
94	S	A	-0.9337
95	S	A	-1.4725
96	N	A	-2.2894
97	E	A	-2.4444
98	A	A	-1.5885
99	A	A	-1.7387
100	N	A	-2.4853
101	K	A	-3.4694
102	R	A	-3.6805
103	Q	A	-3.1340
104	G	A	-2.3943
105	R	A	-2.3838
106	A	A	-1.4925
107	S	A	-1.4177
108	Q	A	-2.1747
109	N	A	-2.4490
110	N	A	-1.9768
111	S	A	-0.9196
112	Y	A	-0.4601
113	D	A	-2.0586
114	N	A	-2.7707
115	K	A	-2.8580
116	S	A	-1.2362
117	P	A	-0.2272
118	L	A	0.5011
119	H	A	-1.4310
120	K	A	-2.4818
121	N	A	-2.1267
122	S	A	-1.0560
123	Y	A	-0.0271
124	D	A	-1.4908
125	G	A	-1.3994
126	T	A	-1.3424
127	G	A	-1.9121
128	K	A	-2.5042
129	S	A	-2.3789
130	R	A	-2.9506
131	P	A	-2.0853
132	K	A	-2.6245
133	P	A	-1.5202
134	T	A	-0.9891
135	N	A	-1.2635
136	L	A	-0.1289
137	R	A	-1.6069
138	A	A	-1.9271
139	D	A	-3.1020
140	E	A	-3.1138
141	S	A	-2.4158
142	P	A	-1.9307
143	E	A	-2.6982
144	K	A	-1.5909
145	V	A	1.1585
146	T	A	1.1683
147	V	A	2.5985
148	V	A	2.6181
149	P	A	0.6833
150	K	A	-0.6880
151	F	A	0.5412
152	G	A	-1.0300
153	D	A	-2.0181
154	W	A	-1.2200
155	D	A	-2.8771
156	E	A	-3.3307
157	N	A	-2.8041
158	N	A	-2.1964
159	P	A	-1.6761
160	S	A	-1.3883
161	S	A	-1.4345
162	A	A	-0.7581
163	D	A	-1.4867
164	G	A	-0.5735
165	Y	A	1.1460
166	T	A	0.3282
167	H	A	-0.1792
168	I	A	1.6587
169	F	A	1.4294
170	N	A	-1.2410
171	K	A	-2.4569
172	V	A	-1.6019
173	R	A	-3.5919
174	E	A	-4.3279
175	E	A	-4.2708
176	R	A	-4.2673
177	S	A	-3.0875
178	S	A	-2.5908
179	G	A	-1.6712
180	A	A	-0.9712
181	N	A	-0.8088
182	V	A	0.5988
183	S	A	0.0239
184	G	A	-0.6452
185	S	A	-0.8993
186	S	A	-1.4245
187	R	A	-2.1784
188	T	A	-1.3484
189	P	A	-1.2966
190	T	A	-1.3711
191	H	A	-1.7752
192	Q	A	-2.1706
193	S	A	-1.8440
194	S	A	-2.0792
195	R	A	-3.0206
196	N	A	-2.8917
197	P	A	-2.2857
198	N	A	-2.6196
199	N	A	-2.2368
200	T	A	-1.1774
201	S	A	-0.4727
202	S	A	0.0719
203	C	A	1.0971
204	C	A	1.7665
205	C	A	2.3176
206	F	A	2.6396
207	G	A	1.5500
208	F	A	1.7087
209	G	A	0.0384
210	G	A	-1.0591
211	K	A	-1.8237