Project name: 1cew

Chain sequence(s)	I: GAPVPVDENDEGLQRALQFAMAEYNRASNDKYSSRVVRVISAKRQLVSGIKYILQVEIGRTTCPKSSGDLQSCEFHDEPEMAKYTTCTFVVYSIPWLNQIKLLESKCQ
Selected Chain(s)	I
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 I 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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:36)

• Minimal score value: -3.7912
• Maximal score value: 2.2388
• Average score: -0.8034
• Total score value: -86.765

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
9	G	I	0.2845
10	A	I	0.4441
11	P	I	0.5602
12	V	I	1.0772
13	P	I	-0.4956
14	V	I	-1.8214
15	D	I	-3.4649
16	E	I	-3.7912
17	N	I	-3.5177
18	D	I	-3.4700
19	E	I	-3.4889
20	G	I	-2.4960
21	L	I	0.0000
22	Q	I	-3.1979
23	R	I	-2.3095
24	A	I	0.0000
25	L	I	0.0000
26	Q	I	-1.6954
27	F	I	-0.9376
28	A	I	0.0000
29	M	I	0.0000
30	A	I	-1.1027
31	E	I	-1.4856
32	Y	I	-1.0083
33	N	I	-1.7933
34	R	I	-2.7422
35	A	I	-1.5315
36	S	I	-1.8140
37	N	I	-2.3876
38	D	I	-2.4857
39	K	I	-2.6535
40	Y	I	-1.3431
41	S	I	0.0000
42	S	I	-0.5198
43	R	I	-0.3358
44	V	I	-0.0280
45	V	I	-0.1268
46	R	I	-1.2784
47	V	I	-0.6107
48	I	I	0.0240
49	S	I	-0.6536
50	A	I	-0.7855
51	K	I	-1.0333
52	R	I	-0.3384
53	Q	I	0.8091
54	L	I	2.2214
55	V	I	2.2388
56	S	I	1.1738
57	G	I	0.0000
58	I	I	1.0291
59	K	I	0.2587
60	Y	I	0.0000
61	I	I	-0.1940
62	L	I	0.0000
63	Q	I	-0.6144
64	V	I	0.0000
65	E	I	-0.3702
66	I	I	0.0000
67	G	I	0.0000
68	R	I	-0.6159
69	T	I	0.0000
70	T	I	-0.3168
71	C	I	0.0000
72	P	I	-1.2476
73	K	I	-1.8454
74	S	I	-1.1209
75	S	I	-1.1878
76	G	I	-1.6402
77	D	I	-2.3778
78	L	I	-1.4269
79	Q	I	-1.5016
80	S	I	-1.0354
81	C	I	-1.1169
82	E	I	-0.7993
83	F	I	0.3873
84	H	I	-1.2822
85	D	I	-1.6209
86	E	I	-2.2255
87	P	I	-1.8254
88	E	I	-2.5025
89	M	I	-0.8639
90	A	I	-0.5944
91	K	I	-1.0061
92	Y	I	0.5179
93	T	I	0.0000
94	T	I	-0.5005
95	C	I	0.0000
96	T	I	-1.0260
97	F	I	0.0000
98	V	I	0.0000
99	V	I	0.0000
100	Y	I	-0.1193
101	S	I	0.0000
102	I	I	0.0646
103	P	I	0.2352
104	W	I	1.2725
105	L	I	1.2110
106	N	I	-0.5628
107	Q	I	-1.0857
108	I	I	-0.7671
109	K	I	-1.4193
110	L	I	-0.6577
111	L	I	-0.4980
112	E	I	-1.9100
113	S	I	-1.4747
114	K	I	-2.2448
115	C	I	-1.0200
116	Q	I	-1.2126