Project name: 1e182c03078a69

Chain sequence(s)	A: MSISGAVLSGLGPSFLISGGKRSGVGGGAMKVGRKNVIIAPQRKKSWVSAAVKGAGNSPNDPKWLDDASEKASGYVKEKGSEVGNVSAQKGQELQNQMERAKDYIFGKAGEAMDSVAENAKRASDFVTEKGKEVKEETTSRTDKAKDFIVEKAGDVKDTAMDMRNKTSKYVGDKATEAKEAILPPKTDA
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.                                          (00:00:01)

• Minimal score value: -4.478
• Maximal score value: 3.294
• Average score: -1.4149
• Total score value: -267.4236

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	1.3844
2	S	A	1.3215
3	I	A	1.9162
4	S	A	0.6779
5	G	A	0.5194
6	A	A	1.2171
7	V	A	2.3256
8	L	A	2.3565
9	S	A	1.1184
10	G	A	0.5693
11	L	A	1.1636
12	G	A	0.1913
13	P	A	0.2963
14	S	A	1.1648
15	F	A	2.9854
16	L	A	3.2822
17	I	A	2.9853
18	S	A	1.0467
19	G	A	-0.5910
20	G	A	-1.8038
21	K	A	-2.9694
22	R	A	-2.9931
23	S	A	-1.3453
24	G	A	-0.2511
25	V	A	1.1733
26	G	A	-0.0841
27	G	A	-0.5371
28	G	A	-0.5162
29	A	A	0.0128
30	M	A	0.5811
31	K	A	-0.6254
32	V	A	0.4208
33	G	A	-1.3816
34	R	A	-2.8309
35	K	A	-2.4512
36	N	A	-0.8896
37	V	A	2.0691
38	I	A	3.2940
39	I	A	3.1375
40	A	A	1.1902
41	P	A	-0.7658
42	Q	A	-2.6218
43	R	A	-3.8893
44	K	A	-3.6738
45	K	A	-2.8064
46	S	A	-0.6567
47	W	A	1.1978
48	V	A	1.9635
49	S	A	1.2670
50	A	A	0.8846
51	A	A	0.5313
52	V	A	0.8107
53	K	A	-1.0969
54	G	A	-1.1502
55	A	A	-0.9065
56	G	A	-1.7117
57	N	A	-2.5155
58	S	A	-2.1110
59	P	A	-1.7598
60	N	A	-2.3130
61	D	A	-3.0625
62	P	A	-2.5052
63	K	A	-3.4885
64	W	A	-2.4280
65	L	A	-1.9321
66	D	A	-3.6646
67	D	A	-3.8782
68	A	A	-2.4751
69	S	A	-2.5760
70	E	A	-3.3999
71	K	A	-2.9825
72	A	A	-1.6281
73	S	A	-1.4555
74	G	A	-1.5648
75	Y	A	-0.1972
76	V	A	0.0116
77	K	A	-2.2322
78	E	A	-2.6006
79	K	A	-1.9350
80	G	A	-1.4463
81	S	A	-2.0597
82	E	A	-2.6009
83	V	A	-1.2839
84	G	A	-1.2385
85	N	A	-1.3710
86	V	A	-1.0359
87	S	A	-1.2040
88	A	A	-1.7011
89	Q	A	-2.7751
90	K	A	-3.4154
91	G	A	-2.6132
92	Q	A	-3.8644
93	E	A	-4.3796
94	L	A	-3.1165
95	Q	A	-3.6857
96	N	A	-4.4539
97	Q	A	-4.0329
98	M	A	-2.9098
99	E	A	-4.4780
100	R	A	-3.8411
101	A	A	-2.2180
102	K	A	-2.5542
103	D	A	-2.3722
104	Y	A	-0.2473
105	I	A	0.0948
106	F	A	0.6835
107	G	A	-0.6850
108	K	A	-1.4540
109	A	A	-0.4333
110	G	A	-0.9605
111	E	A	-2.2197
112	A	A	-1.1449
113	M	A	-0.5557
114	D	A	-2.3492
115	S	A	-1.5355
116	V	A	-0.3884
117	A	A	-1.6709
118	E	A	-3.2539
119	N	A	-3.0536
120	A	A	-2.2079
121	K	A	-3.4239
122	R	A	-3.2828
123	A	A	-1.7406
124	S	A	-1.9311
125	D	A	-2.5728
126	F	A	-0.1982
127	V	A	0.0857
128	T	A	-1.8962
129	E	A	-3.0239
130	K	A	-2.9673
131	G	A	-2.5032
132	K	A	-3.9934
133	E	A	-4.1997
134	V	A	-2.3206
135	K	A	-3.6605
136	E	A	-3.7098
137	E	A	-3.0383
138	T	A	-1.8260
139	T	A	-1.4904
140	S	A	-1.6058
141	R	A	-2.6325
142	T	A	-2.7471
143	D	A	-3.6725
144	K	A	-3.1853
145	A	A	-1.6510
146	K	A	-2.2002
147	D	A	-2.0467
148	F	A	0.4188
149	I	A	1.4268
150	V	A	0.5211
151	E	A	-1.6040
152	K	A	-1.6014
153	A	A	-0.7405
154	G	A	-1.9950
155	D	A	-2.9367
156	V	A	-1.1435
157	K	A	-2.4054
158	D	A	-2.8349
159	T	A	-1.6872
160	A	A	-0.8887
161	M	A	-1.4209
162	D	A	-2.5670
163	M	A	-2.2330
164	R	A	-2.9394
165	N	A	-3.1591
166	K	A	-2.9757
167	T	A	-1.6103
168	S	A	-2.0974
169	K	A	-2.6483
170	Y	A	-0.7863
171	V	A	-0.1529
172	G	A	-1.5527
173	D	A	-2.7539
174	K	A	-2.5434
175	A	A	-2.0352
176	T	A	-2.6239
177	E	A	-3.6171
178	A	A	-2.0951
179	K	A	-2.5274
180	E	A	-2.3849
181	A	A	-0.6014
182	I	A	0.8950
183	L	A	0.9219
184	P	A	-0.1045
185	P	A	-1.1336
186	K	A	-2.2217
187	T	A	-1.8915
188	D	A	-2.3678
189	A	A	-1.0716