Project name: insulin

Chain sequence(s)	A: FVNQHLCGSHLVEALYLVCGERGFFYTPKTRREAEDLQVGQVELGGGPGAGSLQPLALEGSLQKRGIVEQCCTSICSLYQLENYCN
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             (00:00:01)
[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                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -4.0508
• Maximal score value: 3.1506
• Average score: -0.0021
• Total score value: -0.1764

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
25	F	A	2.3304
26	V	A	1.5904
27	N	A	-0.4686
28	Q	A	-1.1236
29	H	A	-0.7141
30	L	A	1.1053
31	C	A	1.2565
32	G	A	0.6257
33	S	A	0.1529
34	H	A	0.0261
35	L	A	1.7558
36	V	A	1.9118
37	E	A	0.3934
38	A	A	1.5787
39	L	A	2.5236
40	Y	A	2.8983
41	L	A	2.7858
42	V	A	2.4688
43	C	A	1.5544
44	G	A	0.0910
45	E	A	-2.1347
46	R	A	-2.1034
47	G	A	-0.2518
48	F	A	2.4517
49	F	A	3.1506
50	Y	A	2.4153
51	T	A	0.7604
52	P	A	-0.7740
53	K	A	-2.1583
54	T	A	-2.5321
55	R	A	-3.6636
56	R	A	-3.9937
57	E	A	-4.0508
58	A	A	-2.6920
59	E	A	-3.0590
60	D	A	-2.1554
61	L	A	0.0371
62	Q	A	-0.0893
63	V	A	0.7635
64	G	A	-0.1702
65	Q	A	-0.5560
66	V	A	0.5121
67	E	A	-0.5393
68	L	A	0.6006
69	G	A	-0.4749
70	G	A	-0.6890
71	G	A	-1.0199
72	P	A	-0.8791
73	G	A	-0.8475
74	A	A	-0.4933
75	G	A	-0.4433
76	S	A	-0.0920
77	L	A	0.6935
78	Q	A	-0.3489
79	P	A	0.3051
80	L	A	1.2773
81	A	A	0.5688
82	L	A	1.1519
83	E	A	-0.9374
84	G	A	-1.1025
85	S	A	-0.8045
86	L	A	-0.4472
87	Q	A	-2.1222
88	K	A	-2.6582
89	R	A	-2.3648
90	G	A	-0.9431
91	I	A	1.1178
92	V	A	1.3288
93	E	A	-1.0291
94	Q	A	-0.3152
95	C	A	1.1974
96	C	A	1.1789
97	T	A	0.2461
98	S	A	0.8058
99	I	A	2.5015
100	C	A	1.9450
101	S	A	1.5687
102	L	A	1.4918
103	Y	A	0.9182
104	Q	A	-0.4258
105	L	A	0.3119
106	E	A	-1.2067
107	N	A	-1.2177
108	Y	A	0.4977
109	C	A	0.1015
110	N	A	-1.0321