Project name: FIX-1

Chain sequence(s)	A: YVDGDQCESNPCLNGGSCKDDINSYECWCPFGFEGKNCELDVTCNIKNGRCEQFCKNSADNKVVCSCTEGYRLAENQKSCEPAVPFPCGRVSVSQTSKLTRAETVFPDVDYVNSTEAETILDNITQSTQSFNDFTR
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]                                                (00:00:00)
[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 A 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                                          (00:02:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:01)

• Minimal score value: -3.9784
• Maximal score value: 2.3472
• Average score: -0.9458
• Total score value: -128.6322

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	Y	A	1.9158
2	V	A	1.5733
3	D	A	-0.3980
4	G	A	-1.7656
5	D	A	-3.6631
6	Q	A	-3.5210
7	C	A	-3.3095
8	E	A	-3.2981
9	S	A	-2.0979
10	N	A	-2.2162
11	P	A	-1.1739
12	C	A	-0.6310
13	L	A	0.0901
14	N	A	-0.7117
15	G	A	-0.4063
16	G	A	-0.2105
17	S	A	-0.5450
18	C	A	-1.5883
19	K	A	-2.8137
20	D	A	-3.9784
21	D	A	-2.9718
22	I	A	-0.3473
23	N	A	-1.5254
24	S	A	-1.9651
25	Y	A	-2.3649
26	E	A	-2.6403
27	C	A	-1.2243
28	W	A	0.5451
29	C	A	0.3439
30	P	A	0.8926
31	F	A	1.8937
32	G	A	0.0000
33	F	A	-0.0281
34	E	A	-1.4313
35	G	A	-1.4999
36	K	A	-2.1832
37	N	A	-1.4031
38	C	A	0.0000
39	E	A	-0.8944
40	L	A	-0.1636
41	D	A	-0.9914
42	V	A	-0.6519
43	T	A	-1.3667
44	C	A	-1.7335
45	N	A	-2.0083
46	I	A	-1.1750
47	K	A	-2.8022
48	N	A	-2.4520
49	G	A	0.0000
50	R	A	-3.0619
51	C	A	0.0000
52	E	A	-2.6657
53	Q	A	-0.7535
54	F	A	0.3174
55	C	A	-1.1551
56	K	A	-2.0678
57	N	A	-2.8805
58	S	A	-2.2978
59	A	A	-2.0168
60	D	A	-3.1268
61	N	A	-3.4559
62	K	A	-3.1693
63	V	A	-1.9015
64	V	A	-0.4571
65	C	A	0.0000
66	S	A	-0.3720
67	C	A	-0.7533
68	T	A	-0.8680
69	E	A	-1.9613
70	G	A	-0.9409
71	Y	A	-0.7058
72	R	A	-1.8498
73	L	A	-1.9501
74	A	A	-2.2719
75	E	A	-3.1600
76	N	A	-2.8914
77	Q	A	-3.0397
78	K	A	-2.6001
79	S	A	-2.3949
80	C	A	-1.7636
81	E	A	-1.3940
82	P	A	-0.1556
83	A	A	0.1854
84	V	A	1.8627
85	P	A	1.3910
86	F	A	2.3472
87	P	A	0.8082
88	C	A	0.6773
89	G	A	-0.3065
90	R	A	-0.8731
91	V	A	1.2455
92	S	A	0.6883
93	V	A	1.5004
94	S	A	0.2257
95	Q	A	-1.0986
96	T	A	-0.8142
97	S	A	-1.0432
98	K	A	-1.4425
99	L	A	0.1463
100	T	A	-0.9425
101	R	A	-2.1610
102	A	A	-1.3292
103	E	A	-1.5848
104	T	A	0.1860
105	V	A	1.8840
106	F	A	2.3093
107	P	A	0.4789
108	D	A	-0.6625
109	V	A	0.8581
110	D	A	-0.5064
111	Y	A	1.1030
112	V	A	1.2444
113	N	A	-0.7968
114	S	A	-1.1205
115	T	A	-1.4774
116	E	A	-1.8342
117	A	A	-0.9874
118	E	A	-1.9065
119	T	A	-0.7612
120	I	A	1.1712
121	L	A	0.8042
122	D	A	-1.3242
123	N	A	-0.8918
124	I	A	0.9176
125	T	A	-0.5416
126	Q	A	-1.6202
127	S	A	-0.8186
128	T	A	-0.7065
129	Q	A	-1.4446
130	S	A	-0.5946
131	F	A	0.5698
132	N	A	-1.4106
133	D	A	-1.7037
134	F	A	0.5719
135	T	A	-0.5617
136	R	A	-1.8799