Project name: 7b48aa9cebe4a7a

Chain sequence(s)	A: MSHHHHHHSGKIKEFMRTFVGMSDNPFSEQMEEIITAGDQAVVNMDKFWDEFRRFHHEMYWHDPELPWIVVYEVRDVLKKFKPQAQQGSFNAEAFFTEMISVFKGNPEWVEKLHDWHFNHTFHRKFRDAKKNDPEEAKDVLKRAMAMFEVHVEITGKVPKWFERFMGDFLDHFDEEEIAQVINS
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                                          (00:09:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:06)

• Minimal score value: -4.5125
• Maximal score value: 1.6078
• Average score: -1.3823
• Total score value: -254.3383

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	0.5497
2	S	A	-0.6172
3	H	A	-1.7414
4	H	A	-2.3306
5	H	A	-2.7388
6	H	A	-2.7656
7	H	A	-2.5405
8	H	A	-2.4739
9	S	A	-2.1687
10	G	A	-2.3819
11	K	A	-3.0454
12	I	A	-1.9840
13	K	A	-2.8588
14	E	A	-3.4833
15	F	A	0.0000
16	M	A	0.0000
17	R	A	-3.1466
18	T	A	-1.9850
19	F	A	0.0000
20	V	A	0.0000
21	G	A	-1.8823
22	M	A	0.0000
23	S	A	-1.5953
24	D	A	-2.7029
25	N	A	-2.4857
26	P	A	-1.9365
27	F	A	0.0000
28	S	A	0.0000
29	E	A	-2.6662
30	Q	A	0.0000
31	M	A	0.0000
32	E	A	-2.3773
33	E	A	-1.7724
34	I	A	0.0000
35	I	A	0.0000
36	T	A	-1.2696
37	A	A	-0.9095
38	G	A	-1.4708
39	D	A	-2.1293
40	Q	A	-1.7589
41	A	A	0.0000
42	V	A	0.5539
43	V	A	0.0000
44	N	A	-2.3644
45	M	A	0.0000
46	D	A	-3.4702
47	K	A	-3.1371
48	F	A	0.0000
49	W	A	-2.6797
50	D	A	-3.1712
51	E	A	-2.7268
52	F	A	0.0000
53	R	A	-3.2027
54	R	A	-3.2421
55	F	A	-1.8178
56	H	A	0.0000
57	H	A	-1.7416
58	E	A	-1.5175
59	M	A	0.0000
60	Y	A	-0.5129
61	W	A	0.1333
62	H	A	-0.9938
63	D	A	-1.2945
64	P	A	-1.1065
65	E	A	-2.1627
66	L	A	0.0000
67	P	A	-0.2957
68	W	A	1.0183
69	I	A	1.6078
70	V	A	0.0000
71	V	A	0.0000
72	Y	A	0.5814
73	E	A	-0.7390
74	V	A	0.0000
75	R	A	-2.0878
76	D	A	-2.8375
77	V	A	0.0000
78	L	A	0.0000
79	K	A	-3.9268
80	K	A	-3.4007
81	F	A	0.0000
82	K	A	-3.4913
83	P	A	-2.3431
84	Q	A	-2.3641
85	A	A	-2.2042
86	Q	A	-2.3385
87	Q	A	-2.3828
88	G	A	-1.8203
89	S	A	-1.7865
90	F	A	0.0000
91	N	A	-1.6392
92	A	A	0.0000
93	E	A	-1.4757
94	A	A	-0.7355
95	F	A	0.0000
96	F	A	0.0000
97	T	A	-0.3094
98	E	A	-0.6432
99	M	A	0.0000
100	I	A	-0.3980
101	S	A	-0.9296
102	V	A	0.0000
103	F	A	0.0000
104	K	A	-2.2057
105	G	A	-1.4772
106	N	A	0.0000
107	P	A	-2.1999
108	E	A	-2.7210
109	W	A	0.0000
110	V	A	0.0000
111	E	A	-2.0873
112	K	A	-1.9447
113	L	A	0.0000
114	H	A	0.0000
115	D	A	-1.1068
116	W	A	-0.7128
117	H	A	0.0000
118	F	A	0.0000
119	N	A	-1.1812
120	H	A	-1.5159
121	T	A	0.0000
122	F	A	0.0000
123	H	A	-2.2825
124	R	A	-3.3181
125	K	A	-3.2845
126	F	A	0.0000
127	R	A	-3.6369
128	D	A	-4.5125
129	A	A	0.0000
130	K	A	-3.8630
131	K	A	-3.8111
132	N	A	-3.9193
133	D	A	-4.0009
134	P	A	-3.6687
135	E	A	-3.9269
136	E	A	-4.3798
137	A	A	0.0000
138	K	A	-3.0062
139	D	A	-3.4042
140	V	A	0.0000
141	L	A	0.0000
142	K	A	-2.1708
143	R	A	-2.1781
144	A	A	0.0000
145	M	A	-0.5292
146	A	A	-0.8902
147	M	A	0.0000
148	F	A	-0.7092
149	E	A	-2.0366
150	V	A	0.0000
151	H	A	0.0000
152	V	A	-1.2361
153	E	A	-2.4289
154	I	A	0.0000
155	T	A	0.0000
156	G	A	-1.5892
157	K	A	-1.6953
158	V	A	-0.1489
159	P	A	0.0000
160	K	A	-2.3699
161	W	A	0.0000
162	F	A	-1.3780
163	E	A	-2.8324
164	R	A	-3.1001
165	F	A	0.0000
166	M	A	-1.1140
167	G	A	-1.7221
168	D	A	-1.9004
169	F	A	0.0000
170	L	A	-0.5747
171	D	A	-1.9722
172	H	A	-2.2614
173	F	A	0.0000
174	D	A	-3.3889
175	E	A	-3.6112
176	E	A	-3.6660
177	E	A	-3.0138
178	I	A	-1.8650
179	A	A	-1.8526
180	Q	A	-2.2572
181	V	A	0.0000
182	I	A	0.1959
183	N	A	-1.0257
184	S	A	-0.7846