Project name: 8298a427da78b70

Chain sequence(s)	A: MSSGNILWGSQNPIVFKNSFGVSNADTGSQDDLSQQNPFAEGYGVLLILLMVIQAIANNKFIEVQKNAERARNTQEKSNEMDEVIAKAAKGDAKTKEEVPEDVIKYMRDNGILIDGMTIDDYMAKYGDHGKLDKGGLQAIKAALDNDANRNTDLMSQGQITIQKMSQELNAVLTQLTGLISKWGEISSMIAQKTYS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX 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 Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)

• Minimal score value: -3.9622
• Maximal score value: 3.6798
• Average score: -1.1245
• Total score value: -220.4001

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	M	A	0.8309
2	S	A	-0.1014
3	S	A	-0.6445
4	G	A	-0.6646
5	N	A	-0.6942
6	I	A	0.8002
7	L	A	1.4338
8	W	A	0.6517
9	G	A	-0.2672
10	S	A	-1.1106
11	Q	A	-1.9744
12	N	A	-1.5804
13	P	A	-0.0085
14	I	A	1.4878
15	V	A	2.1279
16	F	A	1.3676
17	K	A	-1.2296
18	N	A	-1.6714
19	S	A	-0.8651
20	F	A	0.0786
21	G	A	0.2691
22	V	A	1.3705
23	S	A	-0.3956
24	N	A	-1.5458
25	A	A	-1.4810
26	D	A	-2.4399
27	T	A	-1.6898
28	G	A	-1.7276
29	S	A	-1.9555
30	Q	A	-3.0860
31	D	A	-3.4520
32	D	A	-3.0729
33	L	A	-0.7987
34	S	A	-1.4946
35	Q	A	-2.8252
36	Q	A	-2.3705
37	N	A	0.0000
38	P	A	-1.0580
39	F	A	-0.2042
40	A	A	-0.8905
41	E	A	-1.6912
42	G	A	-0.1131
43	Y	A	0.4904
44	G	A	0.7901
45	V	A	2.3550
46	L	A	1.8944
47	L	A	0.0000
48	I	A	3.6798
49	L	A	2.7493
50	L	A	0.0000
51	M	A	2.9625
52	V	A	2.7035
53	I	A	0.0000
54	Q	A	1.0462
55	A	A	0.8554
56	I	A	1.5174
57	A	A	0.0000
58	N	A	-0.0797
59	N	A	-0.5332
60	K	A	-0.6448
61	F	A	-0.0423
62	I	A	-0.0561
63	E	A	-1.7907
64	V	A	0.0000
65	Q	A	-2.2767
66	K	A	-2.9509
67	N	A	-2.7347
68	A	A	-2.6674
69	E	A	-3.9622
70	R	A	-3.4110
71	A	A	-3.6096
72	R	A	-3.7445
73	N	A	-2.9599
74	T	A	0.0000
75	Q	A	-3.4627
76	E	A	-3.4714
77	K	A	-2.5557
78	S	A	0.0000
79	N	A	-3.0538
80	E	A	-2.6777
81	M	A	0.0000
82	D	A	-2.8649
83	E	A	-3.0877
84	V	A	0.0000
85	I	A	-2.6402
86	A	A	-2.1881
87	K	A	-3.2677
88	A	A	0.0000
89	A	A	-2.4988
90	K	A	-2.7280
91	G	A	-2.9136
92	D	A	-3.1307
93	A	A	-2.3939
94	K	A	-2.9506
95	T	A	-2.9482
96	K	A	-3.4205
97	E	A	-3.1381
98	E	A	-3.4771
99	V	A	0.0000
100	P	A	-2.3438
101	E	A	-2.9612
102	D	A	-2.6512
103	V	A	0.0000
104	I	A	-2.3275
105	K	A	-3.6082
106	Y	A	-2.5432
107	M	A	0.0000
108	R	A	-3.2882
109	D	A	-3.2448
110	N	A	-2.0967
111	G	A	-1.5077
112	I	A	0.0000
113	L	A	-0.0879
114	I	A	0.0000
115	D	A	-1.6065
116	G	A	-0.9823
117	M	A	-1.0963
118	T	A	-1.1924
119	I	A	0.0000
120	D	A	-2.4985
121	D	A	-2.4836
122	Y	A	0.0000
123	M	A	-1.5676
124	A	A	-1.7762
125	K	A	-1.9576
126	Y	A	-0.6517
127	G	A	-2.0545
128	D	A	-2.4601
129	H	A	-2.3099
130	G	A	-2.4153
131	K	A	-3.0467
132	L	A	0.0000
133	D	A	-2.9384
134	K	A	-2.6516
135	G	A	-1.5356
136	G	A	0.0000
137	L	A	0.0000
138	Q	A	-1.5436
139	A	A	-0.9111
140	I	A	0.0000
141	K	A	-1.4466
142	A	A	-1.0401
143	A	A	-0.9491
144	L	A	0.0000
145	D	A	-2.2599
146	N	A	-2.4697
147	D	A	-2.2535
148	A	A	0.0000
149	N	A	-3.3380
150	R	A	-3.3492
151	N	A	0.0000
152	T	A	-2.4056
153	D	A	-2.5046
154	L	A	-1.2782
155	M	A	-1.6562
156	S	A	-0.7898
157	Q	A	-0.8235
158	G	A	0.0000
159	Q	A	-0.8466
160	I	A	0.3384
161	T	A	-0.4406
162	I	A	-0.9611
163	Q	A	-2.1004
164	K	A	-2.8052
165	M	A	0.0000
166	S	A	-2.1584
167	Q	A	-3.0990
168	E	A	-2.7690
169	L	A	0.0000
170	N	A	-2.1687
171	A	A	-1.4369
172	V	A	0.0000
173	L	A	-0.2216
174	T	A	-0.5445
175	Q	A	-0.8352
176	L	A	0.0000
177	T	A	0.0413
178	G	A	-0.4275
179	L	A	-0.0507
180	I	A	0.5265
181	S	A	-0.8724
182	K	A	-1.7831
183	W	A	-0.5499
184	G	A	-0.8833
185	E	A	-1.6842
186	I	A	-0.3113
187	S	A	0.1781
188	S	A	-0.5139
189	M	A	0.3382
190	I	A	0.9172
191	A	A	-0.0936
192	Q	A	-0.8667
193	K	A	-1.2597
194	T	A	-0.1776
195	Y	A	0.4863
196	S	A	-0.4861