Project name: 1-jjj

Chain sequence(s)	A: APLAADTPTACCFSYTSRQIPQNFIADYFETSSQCSKPSVIFLTKRGRQVCADPSEEWVQKYVSDLELSA
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -3.2805
• Maximal score value: 1.7482
• Average score: -0.8398
• Total score value: -58.7838

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
24	A	A	0.1988
25	P	A	0.2717
26	L	A	1.0149
27	A	A	0.1531
28	A	A	-0.4362
29	D	A	-1.4848
30	T	A	-0.7290
31	P	A	-0.7010
32	T	A	-0.5318
33	A	A	-0.1166
34	C	A	0.0568
35	C	A	0.0000
36	F	A	1.7482
37	S	A	0.8002
38	Y	A	0.3025
39	T	A	-0.7069
40	S	A	-1.2965
41	R	A	-2.4586
42	Q	A	-2.5008
43	I	A	-1.0060
44	P	A	-0.8878
45	Q	A	-1.2777
46	N	A	-1.1280
47	F	A	-0.3232
48	I	A	0.0000
49	A	A	-1.2542
50	D	A	-0.7301
51	Y	A	-0.0403
52	F	A	0.3126
53	E	A	-1.1409
54	T	A	-0.9114
55	S	A	-1.0150
56	S	A	-1.2673
57	Q	A	-1.4753
58	C	A	-0.7236
59	S	A	-0.6667
60	K	A	-0.9443
61	P	A	-1.0934
62	S	A	0.0000
63	V	A	0.0000
64	I	A	-0.1277
65	F	A	0.0000
66	L	A	-1.1136
67	T	A	0.0000
68	K	A	-2.9234
69	R	A	-3.2375
70	G	A	-2.8403
71	R	A	-3.1419
72	Q	A	-2.1468
73	V	A	-0.3938
74	C	A	0.4427
75	A	A	0.0000
76	D	A	-1.1013
77	P	A	-1.6238
78	S	A	-1.4254
79	E	A	-2.5229
80	E	A	-3.2805
81	W	A	0.0000
82	V	A	0.0000
83	Q	A	-2.8813
84	K	A	-3.1702
85	Y	A	0.0000
86	V	A	-1.1749
87	S	A	-1.2097
88	D	A	-1.0156
89	L	A	-0.8856
90	E	A	-1.3207
91	L	A	0.5611
92	S	A	-0.0120
93	A	A	-0.2501