Project name: 14b980d5276d09e

Chain sequence(s)	A: MSHHHHHHSGSEYAERLTGDREKGEELLREMREEIAKILKENGIEIEPDSPEMLEFMRRVLEAALEEELELPELRIEKYYYDDYHLRYLGKELARDNEKVVKVVRDFVVKKAKEQGIPEEKGEEVAEEVLEVVGYYLAKMLYAGLLSKRNS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:08)

• Minimal score value: -5.1827
• Maximal score value: 1.4672
• Average score: -1.6706
• Total score value: -252.2668

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	0.5457
2	S	A	-0.6267
3	H	A	-1.7423
4	H	A	-2.3423
5	H	A	-2.6617
6	H	A	-2.5750
7	H	A	-2.6232
8	H	A	-2.1532
9	S	A	-1.6185
10	G	A	0.0000
11	S	A	-2.6714
12	E	A	-3.1377
13	Y	A	-2.2327
14	A	A	0.0000
15	E	A	-4.0300
16	R	A	-2.8179
17	L	A	-1.2073
18	T	A	-1.9723
19	G	A	-2.3697
20	D	A	-3.9269
21	R	A	-5.1827
22	E	A	-4.6110
23	K	A	-3.9611
24	G	A	0.0000
25	E	A	-4.7535
26	E	A	-4.1070
27	L	A	-2.0303
28	L	A	0.0000
29	R	A	-3.9676
30	E	A	-3.6038
31	M	A	-2.2957
32	R	A	-2.5213
33	E	A	-3.5093
34	E	A	-3.2029
35	I	A	-1.8017
36	A	A	0.0000
37	K	A	-3.2517
38	I	A	-1.2073
39	L	A	-1.7486
40	K	A	-3.5132
41	E	A	-3.1768
42	N	A	-2.5487
43	G	A	-1.9229
44	I	A	-1.0452
45	E	A	-2.4294
46	I	A	-2.1874
47	E	A	-3.2445
48	P	A	-3.3854
49	D	A	-2.9746
50	S	A	-1.9934
51	P	A	-1.5542
52	E	A	-2.1236
53	M	A	0.0000
54	L	A	-1.1300
55	E	A	-0.8539
56	F	A	-0.0604
57	M	A	0.0000
58	R	A	-1.3275
59	R	A	-1.6251
60	V	A	-0.1708
61	L	A	0.0000
62	E	A	-1.8655
63	A	A	-1.5488
64	A	A	-1.3406
65	L	A	-2.0244
66	E	A	-3.0065
67	E	A	-3.2973
68	E	A	-2.7788
69	L	A	-0.6324
70	E	A	-1.1836
71	L	A	0.6872
72	P	A	-0.5318
73	E	A	-1.3175
74	L	A	0.2679
75	R	A	-1.4249
76	I	A	0.1828
77	E	A	-1.6062
78	K	A	-1.8041
79	Y	A	-0.0852
80	Y	A	0.8959
81	Y	A	0.2781
82	D	A	-0.5771
83	D	A	-1.1921
84	Y	A	0.2894
85	H	A	-0.3108
86	L	A	0.0000
87	R	A	-0.9620
88	Y	A	0.0517
89	L	A	-0.4934
90	G	A	0.0000
91	K	A	-2.3954
92	E	A	-3.0133
93	L	A	-1.9015
94	A	A	0.0000
95	R	A	-4.4957
96	D	A	-4.0227
97	N	A	-3.6405
98	E	A	-3.7742
99	K	A	-3.1912
100	V	A	-1.8735
101	V	A	-2.7517
102	K	A	-2.4792
103	V	A	0.0979
104	V	A	0.0000
105	R	A	-2.0855
106	D	A	-1.7734
107	F	A	0.2767
108	V	A	0.0000
109	V	A	-2.8746
110	K	A	-3.2851
111	K	A	-2.8334
112	A	A	0.0000
113	K	A	-3.6056
114	E	A	-3.7199
115	Q	A	-2.9363
116	G	A	-2.0132
117	I	A	-1.8373
118	P	A	-2.2288
119	E	A	-3.3656
120	E	A	-3.5744
121	K	A	-3.3129
122	G	A	0.0000
123	E	A	-4.1378
124	E	A	-4.0032
125	V	A	-2.4022
126	A	A	0.0000
127	E	A	-3.7249
128	E	A	-2.8960
129	V	A	-1.0534
130	L	A	0.0000
131	E	A	-1.9219
132	V	A	0.2219
133	V	A	0.4320
134	G	A	0.0000
135	Y	A	0.0000
136	Y	A	1.4672
137	L	A	1.2755
138	A	A	0.0000
139	K	A	0.0177
140	M	A	1.4534
141	L	A	1.4366
142	Y	A	1.0666
143	A	A	0.3240
144	G	A	-0.0376
145	L	A	-0.2914
146	L	A	-0.4035
147	S	A	-1.5456
148	K	A	-2.8122
149	R	A	-3.0609
150	N	A	-2.6197
151	S	A	-1.9255