Project name: a76088d1d9417ab

Chain sequence(s)	A: MSHHHHHHSGMDVFAEPKIPKVEVVFEGKENRYYREFFRLVYEIYYFSSNALEHLKAILKEFKPKVEAGKVTEEEKKKIKKIIAKIAKKLIELFDEVKKFYKEYGYELMYWDPIAYWYLGRLYRLSEKYKPILEEIYEKFKDPSKEISGEEILKEIEKLIKILEEYIKITSEFIEYYSKYYEITEVKETEDGTIVITIKRKNS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:17)

• Minimal score value: -3.9903
• Maximal score value: 1.8458
• Average score: -1.343
• Total score value: -272.6234

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	0.5374
2	S	A	-0.6319
3	H	A	-1.7538
4	H	A	-2.3450
5	H	A	-2.8012
6	H	A	-2.7462
7	H	A	-2.5377
8	H	A	-2.0679
9	S	A	-1.5207
10	G	A	-1.2365
11	M	A	-0.9119
12	D	A	-1.7482
13	V	A	-1.3051
14	F	A	-1.3790
15	A	A	-1.6448
16	E	A	-2.6879
17	P	A	0.0000
18	K	A	-2.2712
19	I	A	-1.1399
20	P	A	0.0000
21	K	A	-2.3063
22	V	A	0.0000
23	E	A	-1.3166
24	V	A	0.0000
25	V	A	-0.2838
26	F	A	-1.2543
27	E	A	-1.9128
28	G	A	-2.1930
29	K	A	-2.9363
30	E	A	-2.6204
31	N	A	-2.0326
32	R	A	-2.6023
33	Y	A	-1.3994
34	Y	A	0.0000
35	R	A	-2.0578
36	E	A	-1.5509
37	F	A	0.0000
38	F	A	0.0000
39	R	A	-1.0703
40	L	A	0.0000
41	V	A	0.0000
42	Y	A	0.0000
43	E	A	-0.5391
44	I	A	0.0000
45	Y	A	-0.0318
46	Y	A	0.0239
47	F	A	0.0000
48	S	A	0.0000
49	S	A	-0.9644
50	N	A	-1.6836
51	A	A	0.0000
52	L	A	0.0000
53	E	A	-2.3083
54	H	A	0.0000
55	L	A	0.0000
56	K	A	-2.1149
57	A	A	-1.7828
58	I	A	0.0000
59	L	A	-2.1555
60	K	A	-2.9337
61	E	A	-2.9584
62	F	A	0.0000
63	K	A	-2.6077
64	P	A	-2.4892
65	K	A	-2.6447
66	V	A	-2.4498
67	E	A	-2.8450
68	A	A	-1.8787
69	G	A	-2.1268
70	K	A	-2.4784
71	V	A	-1.9442
72	T	A	-2.1627
73	E	A	-3.5962
74	E	A	-3.2957
75	E	A	-2.1355
76	K	A	-2.5849
77	K	A	-3.2749
78	K	A	-2.4839
79	I	A	0.0000
80	K	A	0.0000
81	K	A	-2.3772
82	I	A	0.0000
83	I	A	0.0000
84	A	A	0.0000
85	K	A	-1.7795
86	I	A	0.0000
87	A	A	0.0000
88	K	A	-2.1944
89	K	A	-1.4576
90	L	A	0.0000
91	I	A	-1.8489
92	E	A	-2.5049
93	L	A	0.0000
94	F	A	0.0000
95	D	A	-2.6787
96	E	A	-2.5293
97	V	A	0.0000
98	K	A	-3.0608
99	K	A	-3.4364
100	F	A	0.0000
101	Y	A	-1.7799
102	K	A	-2.9727
103	E	A	-2.8580
104	Y	A	-1.3299
105	G	A	0.0000
106	Y	A	0.8979
107	E	A	0.3391
108	L	A	0.0000
109	M	A	1.5652
110	Y	A	1.8458
111	W	A	1.4723
112	D	A	0.7876
113	P	A	0.8379
114	I	A	1.1886
115	A	A	0.0000
116	Y	A	1.2915
117	W	A	1.1742
118	Y	A	0.0000
119	L	A	0.0000
120	G	A	0.0000
121	R	A	-0.7236
122	L	A	0.0000
123	Y	A	-1.7731
124	R	A	-2.9156
125	L	A	-2.0444
126	S	A	0.0000
127	E	A	-3.2769
128	K	A	-2.9939
129	Y	A	0.0000
130	K	A	-2.1973
131	P	A	-1.7560
132	I	A	-1.6320
133	L	A	0.0000
134	E	A	-2.8632
135	E	A	-3.2862
136	I	A	0.0000
137	Y	A	-2.8451
138	E	A	-3.6919
139	K	A	-3.0384
140	F	A	0.0000
141	K	A	-3.3668
142	D	A	-3.0633
143	P	A	-2.8041
144	S	A	-2.0382
145	K	A	-2.4406
146	E	A	-2.8217
147	I	A	0.0000
148	S	A	-1.5937
149	G	A	0.0000
150	E	A	-3.2114
151	E	A	-2.8208
152	I	A	0.0000
153	L	A	0.0000
154	K	A	-3.4594
155	E	A	-2.4772
156	I	A	0.0000
157	E	A	-3.2973
158	K	A	-2.6070
159	L	A	0.0000
160	I	A	-2.4680
161	K	A	-2.9217
162	I	A	0.0000
163	L	A	0.0000
164	E	A	-2.6176
165	E	A	-2.2639
166	Y	A	0.0000
167	I	A	-1.3899
168	K	A	-2.2971
169	I	A	0.0000
170	T	A	0.0000
171	S	A	-1.0627
172	E	A	-1.3791
173	F	A	0.0000
174	I	A	-0.8332
175	E	A	-1.9808
176	Y	A	-0.8601
177	Y	A	0.0000
178	S	A	-1.8279
179	K	A	-2.2837
180	Y	A	-1.8123
181	Y	A	0.0000
182	E	A	-2.8457
183	I	A	-0.7319
184	T	A	-1.1859
185	E	A	-1.4582
186	V	A	-0.4244
187	K	A	-2.2682
188	E	A	-3.0740
189	T	A	-2.7158
190	E	A	-3.2712
191	D	A	-3.2241
192	G	A	-2.7365
193	T	A	0.0000
194	I	A	0.0000
195	V	A	-1.1304
196	I	A	0.0000
197	T	A	-0.6878
198	I	A	0.0000
199	K	A	-3.3930
200	R	A	-3.9903
201	K	A	-3.1737
202	N	A	-2.4925
203	S	A	-1.1994