Project name: f8ac401284bda88

Chain sequence(s)	A: MSHHHHHHSGGHMEKLEEALKALEVVRESLLKIIKEIYAKSGVDGNKLSFEERMEIVNKYWPEISRGFDIAWEAFKGNEVVERALDEIWRLSMHYMFGTKGDTSYGFILGLSILLLGAKALIEDPEGKKLEEVVKKAEDEKYHDEILEEALKLGGINS
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:59)

• Minimal score value: -4.0818
• Maximal score value: 0.5517
• Average score: -1.44
• Total score value: -227.5243

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	0.5517
2	S	A	-0.6134
3	H	A	-1.7276
4	H	A	-2.3307
5	H	A	-2.7240
6	H	A	-2.7458
7	H	A	-2.5404
8	H	A	-2.2353
9	S	A	-1.8075
10	G	A	-1.9178
11	G	A	-2.1621
12	H	A	-2.5994
13	M	A	-2.1848
14	E	A	-3.6565
15	K	A	-4.0818
16	L	A	-2.7823
17	E	A	-3.4859
18	E	A	-4.0077
19	A	A	0.0000
20	L	A	-2.1232
21	K	A	-2.6037
22	A	A	-2.0400
23	L	A	0.0000
24	E	A	-1.5729
25	V	A	-0.5221
26	V	A	0.0000
27	R	A	-1.5610
28	E	A	-2.1472
29	S	A	0.0000
30	L	A	0.0000
31	L	A	-1.4693
32	K	A	-2.5594
33	I	A	0.0000
34	I	A	0.0000
35	K	A	-2.0622
36	E	A	-1.6887
37	I	A	0.0000
38	Y	A	-1.1715
39	A	A	-0.8897
40	K	A	-2.2940
41	S	A	0.0000
42	G	A	-0.9429
43	V	A	0.1576
44	D	A	-1.8463
45	G	A	0.0000
46	N	A	-2.4445
47	K	A	-2.8528
48	L	A	0.0000
49	S	A	-1.6707
50	F	A	-1.1995
51	E	A	-2.2937
52	E	A	-2.5243
53	R	A	0.0000
54	M	A	-1.9361
55	E	A	-3.1975
56	I	A	0.0000
57	V	A	0.0000
58	N	A	-2.6985
59	K	A	-2.9250
60	Y	A	-1.9020
61	W	A	-1.6441
62	P	A	-1.7665
63	E	A	-2.2641
64	I	A	0.0000
65	S	A	-1.7396
66	R	A	-2.6547
67	G	A	0.0000
68	F	A	0.0000
69	D	A	-2.7435
70	I	A	-2.2728
71	A	A	0.0000
72	W	A	-2.2038
73	E	A	-2.9660
74	A	A	-2.8366
75	F	A	0.0000
76	K	A	-2.9988
77	G	A	-2.2278
78	N	A	-2.4497
79	E	A	-2.8607
80	V	A	-1.9790
81	V	A	0.0000
82	E	A	-3.0467
83	R	A	-2.9648
84	A	A	0.0000
85	L	A	0.0000
86	D	A	-2.3517
87	E	A	0.0000
88	I	A	0.0000
89	W	A	-1.2099
90	R	A	-1.9965
91	L	A	0.0000
92	S	A	0.0000
93	M	A	-0.3729
94	H	A	-0.9060
95	Y	A	0.0000
96	M	A	0.0000
97	F	A	0.2061
98	G	A	-0.6117
99	T	A	-0.9883
100	K	A	-1.3688
101	G	A	0.0000
102	D	A	-1.8398
103	T	A	-1.2346
104	S	A	0.0000
105	Y	A	-0.5215
106	G	A	0.0000
107	F	A	0.0000
108	I	A	0.0000
109	L	A	0.0000
110	G	A	0.0000
111	L	A	0.0000
112	S	A	0.0000
113	I	A	0.0000
114	L	A	0.0000
115	L	A	0.0000
116	L	A	0.0000
117	G	A	0.0000
118	A	A	0.0000
119	K	A	-1.0718
120	A	A	0.0000
121	L	A	0.0000
122	I	A	-1.6043
123	E	A	-2.4425
124	D	A	-2.3372
125	P	A	-1.7928
126	E	A	-2.7654
127	G	A	0.0000
128	K	A	-3.5051
129	K	A	-3.5560
130	L	A	0.0000
131	E	A	-3.2630
132	E	A	-3.6440
133	V	A	0.0000
134	V	A	-2.8623
135	K	A	-3.5425
136	K	A	-3.5186
137	A	A	0.0000
138	E	A	-3.4107
139	D	A	-3.3254
140	E	A	-3.8012
141	K	A	-3.5248
142	Y	A	-3.1640
143	H	A	0.0000
144	D	A	-3.6698
145	E	A	-3.8983
146	I	A	0.0000
147	L	A	0.0000
148	E	A	-3.7138
149	E	A	-2.9765
150	A	A	0.0000
151	L	A	0.0000
152	K	A	-2.6813
153	L	A	-1.1239
154	G	A	0.0000
155	G	A	-1.4105
156	I	A	-1.3134
157	N	A	-1.7153
158	S	A	-1.0427