Project name: d632544aa4d0be2

Chain sequence(s)	A: CPEGTNAYRSYCYYFNEDRETWVDADLYCQNMNSGNLVSVLTQAEGAFVASLIKESGTDDFNVWIGLHDPKKNRRWHWSSGSLVSYKSWGIGAPSSVNPGYCVSLTSSTGFQKWKDVPCEDKFSFVCKFKN
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]                                                (00:00:10)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:10)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:10)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:10)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:10)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:31)

• Minimal score value: -4.1253
• Maximal score value: 1.6656
• Average score: -0.6808
• Total score value: -87.8196

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
14	C	A	-0.2256
15	P	A	-1.1100
16	E	A	-2.0724
17	G	A	-1.4108
18	T	A	-0.6601
19	N	A	-0.3507
20	A	A	0.5619
21	Y	A	1.6656
24	Y	A	0.6638
25	C	A	0.0000
26	Y	A	0.0000
27	Y	A	-0.4650
28	F	A	-0.9271
29	N	A	-1.7584
30	E	A	-3.3089
31	D	A	-3.8030
32	R	A	-4.1253
33	E	A	-2.8832
34	T	A	-1.9698
35	W	A	0.0000
36	V	A	0.6639
37	D	A	-0.8169
38	A	A	0.0000
39	D	A	0.0000
40	L	A	0.3572
41	Y	A	0.0660
42	C	A	0.0000
43	Q	A	-1.0719
44	N	A	-0.9965
45	M	A	0.0850
46	N	A	-0.9336
47	S	A	-1.1706
48	G	A	0.0000
49	N	A	-0.6919
50	L	A	0.0000
51	V	A	0.0000
52	S	A	0.0000
53	V	A	0.0000
54	L	A	0.1503
55	T	A	-0.6157
56	Q	A	-1.4932
57	A	A	-0.4615
58	E	A	0.0000
59	G	A	-0.8656
60	A	A	-0.4787
61	F	A	-0.0626
62	V	A	0.0000
63	A	A	0.0000
64	S	A	-1.2568
65	L	A	-1.0647
66	I	A	0.0000
67	K	A	-3.0223
68	E	A	-2.8324
69	S	A	-2.2248
70	G	A	-2.1108
71	T	A	-1.9998
72	D	A	-2.0237
73	D	A	-0.9528
74	F	A	1.2116
75	N	A	-0.0760
76	V	A	0.0000
77	W	A	0.0000
78	I	A	0.0000
79	G	A	0.0000
80	L	A	0.0000
81	H	A	-0.8146
82	D	A	0.0000
83	P	A	-2.0621
84	K	A	-3.4108
85	K	A	-3.5498
86	N	A	-3.3601
87	R	A	-2.7214
88	R	A	-3.1276
89	W	A	-1.5231
90	H	A	-0.9169
91	W	A	0.0000
92	S	A	-0.3341
93	S	A	-0.4534
94	G	A	-0.2753
95	S	A	0.4862
96	L	A	1.6130
97	V	A	0.8891
98	S	A	0.2523
99	Y	A	-0.4489
100	K	A	-1.6881
101	S	A	0.0000
102	W	A	-0.4706
103	G	A	0.0718
104	I	A	1.5847
105	G	A	0.5502
106	A	A	0.0632
107	P	A	-0.0930
108	S	A	-0.0287
109	S	A	-0.0079
110	V	A	0.9499
111	N	A	-0.5118
112	P	A	-0.7450
113	G	A	0.0000
114	Y	A	-1.2466
115	C	A	0.0000
116	V	A	0.0000
117	S	A	0.0000
118	L	A	0.0000
119	T	A	0.0000
120	S	A	-0.3634
121	S	A	-0.1456
122	T	A	-0.3175
123	G	A	-0.7804
124	F	A	0.0000
125	Q	A	-1.6912
126	K	A	-1.3246
127	W	A	0.0000
128	K	A	-0.6838
129	D	A	0.0000
130	V	A	0.0000
131	P	A	-1.2122
132	C	A	-1.0591
133	E	A	-2.3561
134	D	A	-2.3515
135	K	A	-3.2512
136	F	A	0.0000
137	S	A	0.0000
138	F	A	0.0000
139	V	A	0.0000
140	C	A	0.0000
141	K	A	-0.4702
142	F	A	0.0000
143	K	A	-1.8975
144	N	A	-1.7181