Project name: 5fbad664a774912

Chain sequence(s)	A: MSHHHHHHSGKVIDAVIKPLKGDITSAWEVWHLGWNADWTMYEHHKDMRREAKKNPSFNAVVVDEIYYEVQRYMNKMLRKDYEEFKKNKKVVIRGAYNGVIMFWAIRQVMTGKMTPPEAITYFLMHLDPKMSAADRVEAIVFFKDMIVVVVVKMQTPENAKKNS
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                                          (00:04:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:48)

• Minimal score value: -4.2486
• Maximal score value: 1.9859
• Average score: -1.1424
• Total score value: -187.3536

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	0.5599
2	S	A	-0.6329
3	H	A	-1.7462
4	H	A	-2.3375
5	H	A	-2.6216
6	H	A	-2.4846
7	H	A	-2.0693
8	H	A	-1.4695
9	S	A	-1.5131
10	G	A	-1.8501
11	K	A	-2.3903
12	V	A	-1.4252
13	I	A	-1.6499
14	D	A	-2.8752
15	A	A	-1.5570
16	V	A	0.0000
17	I	A	0.0000
18	K	A	-2.3954
19	P	A	-1.7049
20	L	A	-1.5751
21	K	A	-2.4422
22	G	A	-2.1151
23	D	A	-1.8513
24	I	A	-0.4288
25	T	A	-0.1692
26	S	A	-0.4589
27	A	A	-0.3665
28	W	A	-0.4009
29	E	A	-0.9460
30	V	A	0.0000
31	W	A	-0.0778
32	H	A	-0.2409
33	L	A	0.0000
34	G	A	0.0000
35	W	A	-1.1967
36	N	A	-1.7435
37	A	A	-0.6472
38	D	A	-0.2467
39	W	A	0.5775
40	T	A	0.1117
41	M	A	0.0000
42	Y	A	-0.1941
43	E	A	-1.4894
44	H	A	-1.3346
45	H	A	0.0000
46	K	A	-2.8126
47	D	A	-3.1153
48	M	A	0.0000
49	R	A	-3.1656
50	R	A	-4.0193
51	E	A	-3.1148
52	A	A	0.0000
53	K	A	-3.8720
54	K	A	-3.3435
55	N	A	-2.3203
56	P	A	-1.6216
57	S	A	-1.1133
58	F	A	-1.1175
59	N	A	-1.1019
60	A	A	-0.9125
61	V	A	0.6061
62	V	A	0.0117
63	V	A	0.0000
64	D	A	-0.4027
65	E	A	-0.9108
66	I	A	0.0000
67	Y	A	-0.0297
68	Y	A	0.0046
69	E	A	-0.8658
70	V	A	0.0000
71	Q	A	-1.1749
72	R	A	-2.0344
73	Y	A	-1.1410
74	M	A	0.0000
75	N	A	0.0000
76	K	A	-2.8014
77	M	A	-1.8935
78	L	A	0.0000
79	R	A	-3.0709
80	K	A	-3.2660
81	D	A	0.0000
82	Y	A	-2.2549
83	E	A	-4.0468
84	E	A	-3.8634
85	F	A	-3.5270
86	K	A	-4.0072
87	K	A	-4.2486
88	N	A	-4.0346
89	K	A	-3.8359
90	K	A	-2.7076
91	V	A	0.0000
92	V	A	0.2604
93	I	A	0.0000
94	R	A	-2.0236
95	G	A	0.0000
96	A	A	0.0000
97	Y	A	-0.1215
98	N	A	0.0438
99	G	A	0.6875
100	V	A	1.9859
101	I	A	1.1782
102	M	A	0.0000
103	F	A	0.6395
104	W	A	0.8251
105	A	A	0.0000
106	I	A	0.0000
107	R	A	-1.5240
108	Q	A	-1.5483
109	V	A	0.0000
110	M	A	-1.1228
111	T	A	-1.2450
112	G	A	-1.4802
113	K	A	-2.3009
114	M	A	-1.4828
115	T	A	-1.0461
116	P	A	-1.0042
117	P	A	-1.0763
118	E	A	-1.7013
119	A	A	0.0000
120	I	A	-0.3857
121	T	A	-0.1387
122	Y	A	0.3688
123	F	A	0.0000
124	L	A	0.4314
125	M	A	0.8114
126	H	A	-0.4307
127	L	A	0.0000
128	D	A	-1.6782
129	P	A	-1.5053
130	K	A	-2.0831
131	M	A	-1.2328
132	S	A	-0.7465
133	A	A	-0.5089
134	A	A	-0.6167
135	D	A	-1.4120
136	R	A	-1.9728
137	V	A	-1.2172
138	E	A	-1.5184
139	A	A	-0.5891
140	I	A	0.2056
141	V	A	0.9944
142	F	A	0.7682
143	F	A	0.1897
144	K	A	-1.4463
145	D	A	-0.9302
146	M	A	-0.1195
147	I	A	0.0000
148	V	A	0.0000
149	V	A	0.0000
150	V	A	0.0000
151	V	A	0.0000
152	V	A	0.0000
153	K	A	-1.4644
154	M	A	-0.7415
155	Q	A	-1.7397
156	T	A	-1.7243
157	P	A	-2.2588
158	E	A	-3.7274
159	N	A	-3.8129
160	A	A	-3.1778
161	K	A	-4.0883
162	K	A	-4.0341
163	N	A	-3.1836
164	S	A	-2.0582