Project name: Hmed_HV1

Chain sequence(s)	I: VVYTDCTESGQNLCLCEGSNVCGQGNKCILGSDGEKNQCVTGEGTPKPQSHNDGDFEEIPEEYLQ
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]                                                (00:00:01)
[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 I 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                                          (00:00:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:50)

• Minimal score value: -3.6857
• Maximal score value: 2.9497
• Average score: -1.246
• Total score value: -80.9919

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	V	I	2.7494
2	V	I	2.9497
3	Y	I	1.4586
4	T	I	-0.1060
5	D	I	-2.1628
6	C	I	0.0000
7	T	I	-1.4033
8	E	I	-2.1006
9	S	I	-0.9815
10	G	I	-1.0044
11	Q	I	0.0000
12	N	I	0.0000
13	L	I	-0.3793
14	C	I	0.0000
15	L	I	-0.7880
16	C	I	0.0000
17	E	I	-2.4015
18	G	I	-2.0298
19	S	I	-1.3945
20	N	I	-1.6397
21	V	I	-0.2967
22	C	I	0.0000
23	G	I	-0.9772
24	Q	I	-1.8922
25	G	I	-1.8653
26	N	I	-1.5865
27	K	I	-1.4827
28	C	I	0.0000
29	I	I	-0.4489
30	L	I	-1.1694
31	G	I	-2.0446
32	S	I	-2.0019
33	D	I	-2.9322
34	G	I	-2.7249
35	E	I	-3.6857
36	K	I	-3.5073
37	N	I	-2.1343
38	Q	I	-1.9266
39	C	I	-0.8883
40	V	I	-0.4336
41	T	I	-0.8822
42	G	I	-1.4546
43	E	I	-2.5568
44	G	I	-1.6232
45	T	I	-1.2361
46	P	I	-1.2137
47	K	I	-1.3281
48	P	I	-1.2274
49	Q	I	-2.0020
50	S	I	-1.5917
51	H	I	-2.5829
52	N	I	-2.9339
53	D	I	-2.9650
54	G	I	-2.2936
55	D	I	-2.1765
56	F	I	-0.5879
57	E	I	-2.0474
58	E	I	-2.2632
59	I	I	-0.6146
60	P	I	-1.2967
61	E	I	-2.4307
62	E	I	-1.8363
63	Y	I	0.3569
64	L	I	0.1053
65	Q	I	-1.0776