Project name: d4a556eb1482137

Chain sequence(s)	A: MSHHHHHHSGMLSLEEIKERFLELYRRLYIDDMAELVKNNDYAEIYAELYHIGFNIKHWLVINPETGEVDYKESLKRMIILWLPRLGIEINMEALEKLFSTPEAQKLVEEFKKNVEEFLKKWEEFHDKFFELGGDSELPVYEGGKSPVEVVMEPFQKIMAILTNMILEYVKVMYPEEKEKVEVKPEDFAIPKNS
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                                          (00:06:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:19)

• Minimal score value: -4.2979
• Maximal score value: 0.8842
• Average score: -1.4132
• Total score value: -274.1544

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	0.5474
2	S	A	-0.6281
3	H	A	-1.7471
4	H	A	-2.3482
5	H	A	-2.7567
6	H	A	-2.7805
7	H	A	-2.7517
8	H	A	-2.0670
9	S	A	-1.3191
10	G	A	-0.8788
11	M	A	-0.6810
12	L	A	-0.6834
13	S	A	-1.4659
14	L	A	0.0000
15	E	A	-3.6003
16	E	A	-2.8644
17	I	A	0.0000
18	K	A	-2.9681
19	E	A	-3.7690
20	R	A	-3.2849
21	F	A	0.0000
22	L	A	-2.1868
23	E	A	-3.0684
24	L	A	-1.7320
25	Y	A	0.0000
26	R	A	-2.5347
27	R	A	-2.7743
28	L	A	-0.6450
29	Y	A	0.0000
30	I	A	0.0000
31	D	A	-3.5818
32	D	A	-3.5765
33	M	A	0.0000
34	A	A	-3.1038
35	E	A	-3.9742
36	L	A	-3.1282
37	V	A	-2.7041
38	K	A	-3.7055
39	N	A	-3.2905
40	N	A	-3.3062
41	D	A	-3.0441
42	Y	A	-2.0499
43	A	A	-1.8979
44	E	A	-2.3925
45	I	A	0.0000
46	Y	A	-0.6243
47	A	A	-0.7110
48	E	A	-1.0333
49	L	A	0.0000
50	Y	A	-0.3587
51	H	A	-0.8069
52	I	A	0.0000
53	G	A	0.0000
54	F	A	-0.3234
55	N	A	-0.9314
56	I	A	0.0000
57	K	A	-1.1207
58	H	A	-1.3222
59	W	A	0.0000
60	L	A	-0.6120
61	V	A	-0.3314
62	I	A	0.1532
63	N	A	-1.3744
64	P	A	-1.4510
65	E	A	-2.3403
66	T	A	-1.8141
67	G	A	-1.6898
68	E	A	-2.0515
69	V	A	-0.8777
70	D	A	-1.4480
71	Y	A	-1.6444
72	K	A	-1.9325
73	E	A	-1.7406
74	S	A	0.0000
75	L	A	0.0000
76	K	A	-1.2929
77	R	A	-0.9803
78	M	A	0.0000
79	I	A	0.0000
80	I	A	0.1943
81	L	A	0.3171
82	W	A	0.0000
83	L	A	0.0000
84	P	A	-0.8210
85	R	A	-0.8881
86	L	A	0.0000
87	G	A	-1.0701
88	I	A	0.0000
89	E	A	-1.6287
90	I	A	-0.4620
91	N	A	-1.1178
92	M	A	-1.3411
93	E	A	-2.6812
94	A	A	0.0000
95	L	A	0.0000
96	E	A	-3.3060
97	K	A	-2.9998
98	L	A	0.0000
99	F	A	0.0000
100	S	A	-1.7643
101	T	A	-1.8495
102	P	A	-1.8328
103	E	A	-2.8462
104	A	A	0.0000
105	Q	A	-2.7325
106	K	A	-3.3418
107	L	A	-2.3863
108	V	A	0.0000
109	E	A	-3.2129
110	E	A	-2.8875
111	F	A	0.0000
112	K	A	-3.1678
113	K	A	-3.6684
114	N	A	-3.0800
115	V	A	0.0000
116	E	A	-3.3417
117	E	A	-3.5434
118	F	A	0.0000
119	L	A	-2.2625
120	K	A	-3.4952
121	K	A	-2.8721
122	W	A	0.0000
123	E	A	-3.4120
124	E	A	-3.2673
125	F	A	0.0000
126	H	A	-2.2073
127	D	A	-2.8736
128	K	A	-1.9524
129	F	A	0.0000
130	F	A	-0.1073
131	E	A	-1.4385
132	L	A	-0.7448
133	G	A	-0.8350
134	G	A	-1.0642
135	D	A	-2.3257
136	S	A	-1.5933
137	E	A	-1.5178
138	L	A	-0.3836
139	P	A	0.0000
140	V	A	0.8842
141	Y	A	-0.4906
142	E	A	-1.9530
143	G	A	-1.5942
144	G	A	-1.3738
145	K	A	-1.6038
146	S	A	-0.6990
147	P	A	0.0000
148	V	A	0.0000
149	E	A	-1.6819
150	V	A	0.0000
151	V	A	0.0000
152	M	A	0.0000
153	E	A	-1.9924
154	P	A	0.0000
155	F	A	0.0000
156	Q	A	-1.5858
157	K	A	-1.9506
158	I	A	0.0000
159	M	A	0.0000
160	A	A	0.0000
161	I	A	0.0000
162	L	A	0.0000
163	T	A	0.0000
164	N	A	-1.3130
165	M	A	0.0000
166	I	A	0.0000
167	L	A	0.0000
168	E	A	-2.2286
169	Y	A	0.0000
170	V	A	0.0000
171	K	A	-1.7127
172	V	A	-0.8527
173	M	A	-0.7870
174	Y	A	-0.7856
175	P	A	-1.5952
176	E	A	-2.8752
177	E	A	-3.1015
178	K	A	-3.9449
179	E	A	-4.2979
180	K	A	-3.7474
181	V	A	-3.0620
182	E	A	-3.1696
183	V	A	0.0000
184	K	A	-2.7613
185	P	A	-2.2352
186	E	A	-2.7326
187	D	A	-1.6982
188	F	A	0.0000
189	A	A	-1.6294
190	I	A	-1.3970
191	P	A	-2.0968
192	K	A	-2.7276
193	N	A	-2.7788
194	S	A	-1.3684