Project name: SYE

Chain sequence(s)	A: MNIFEMLRIDEGLRLKIYKDTEGYYTTGIGHLLTKSPSLNVAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKHVYDSLDAVRRAALINMVFQMGETGVAGFTNSLGMLQQERWDEAAVNLAKSRWYNQTPNRARRVIATFGTGHWDAYKNL
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                                          (00:03:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:23)

• Minimal score value: -3.4028
• Maximal score value: 0.6049
• Average score: -1.078
• Total score value: -176.7997

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	-0.5242
2	N	A	-0.5396
3	I	A	-0.0581
4	F	A	-0.0719
5	E	A	-0.6838
6	M	A	0.0000
7	L	A	0.0000
8	R	A	-0.4560
9	I	A	0.5258
10	D	A	-0.2726
11	E	A	-0.5853
12	G	A	-0.3237
13	L	A	-0.6443
14	R	A	-1.4078
15	L	A	-1.1207
16	K	A	-1.4667
17	I	A	-0.8547
18	Y	A	-1.0950
19	K	A	-2.1123
20	D	A	-1.8953
21	T	A	-1.7759
22	E	A	-2.7295
23	G	A	-2.1397
24	Y	A	-1.5265
25	Y	A	0.0000
26	T	A	0.0000
27	T	A	0.0000
28	G	A	0.0000
29	I	A	0.0000
30	G	A	-0.5872
31	H	A	-0.1721
32	L	A	-0.0026
33	L	A	0.0000
34	T	A	-0.6169
35	K	A	-1.7577
36	S	A	-0.8416
37	P	A	-0.5520
38	S	A	-0.2406
39	L	A	0.2191
40	N	A	-1.0343
41	V	A	-0.3063
42	A	A	0.0000
43	K	A	-1.5310
44	S	A	-1.7425
45	E	A	-1.5722
46	L	A	0.0000
47	D	A	-2.4233
48	K	A	-2.6970
49	A	A	-1.3309
50	I	A	-1.3648
51	G	A	-1.7883
52	R	A	-2.3408
53	N	A	-2.5100
54	T	A	0.0000
55	N	A	-2.0509
56	G	A	0.0000
57	V	A	-0.6802
58	I	A	0.0000
59	T	A	-1.8043
60	K	A	-2.8964
61	D	A	-3.2776
62	E	A	-2.1361
63	A	A	0.0000
64	E	A	-2.7017
65	K	A	-3.2542
66	L	A	0.0000
67	F	A	0.0000
68	N	A	-2.4285
69	Q	A	-2.6958
70	D	A	-1.9343
71	V	A	0.0000
72	D	A	-2.5157
73	A	A	-1.7364
74	A	A	0.0000
75	V	A	-1.3733
76	R	A	-2.5394
77	G	A	0.0000
78	I	A	0.0000
79	L	A	-1.6785
80	R	A	-2.4784
81	N	A	-2.0259
82	A	A	-1.3020
83	K	A	-1.6113
84	L	A	0.0000
85	K	A	-2.3101
86	H	A	-2.2381
87	V	A	0.0000
88	Y	A	-1.7164
89	D	A	-2.5616
90	S	A	-2.2037
91	L	A	0.0000
92	D	A	-1.3497
93	A	A	-0.9070
94	V	A	-0.5528
95	R	A	-0.7685
96	R	A	-0.9412
97	A	A	0.0000
98	A	A	0.0000
99	L	A	0.0000
100	I	A	0.0000
101	N	A	0.0000
102	M	A	0.0000
103	V	A	0.0000
104	F	A	-0.2133
105	Q	A	-0.2799
106	M	A	-0.1764
107	G	A	-0.5380
108	E	A	-1.4735
109	T	A	-0.7117
110	G	A	-0.6139
111	V	A	0.0000
112	A	A	-0.7983
113	G	A	-0.8046
114	F	A	-0.4481
115	T	A	-0.8105
116	N	A	-1.4403
117	S	A	0.0000
118	L	A	0.0000
119	G	A	-1.6369
120	M	A	-2.1772
121	L	A	0.0000
122	Q	A	-2.5552
123	Q	A	-2.7472
124	E	A	-3.4028
125	R	A	-3.0038
126	W	A	-2.0936
127	D	A	-2.2291
128	E	A	-1.7515
129	A	A	0.0000
130	A	A	-0.6870
131	V	A	0.5369
132	N	A	-0.5986
133	L	A	0.0000
134	A	A	-1.0420
135	K	A	-1.9207
136	S	A	-1.9247
137	R	A	-2.8298
138	W	A	0.0000
139	Y	A	-2.2061
140	N	A	-2.6959
141	Q	A	-2.3878
142	T	A	-1.6874
143	P	A	-2.0157
144	N	A	-2.2406
145	R	A	0.0000
146	A	A	0.0000
147	R	A	-2.3488
148	R	A	-1.6974
149	V	A	0.0000
150	I	A	0.0000
151	A	A	-1.2788
152	T	A	0.0000
153	F	A	0.0000
154	G	A	-1.0991
155	T	A	-0.9203
156	G	A	-0.9653
157	H	A	-1.5878
158	W	A	-1.6140
159	D	A	-2.7657
160	A	A	-1.8053
161	Y	A	0.0000
162	K	A	-2.4587
163	N	A	-1.6374
164	L	A	0.6049