Project name: b53ecd460c4f449

Chain sequence(s)	B: MNFTISEELLPSGQGVLTLSGNTSELQPNTTLRWLSGGELVATAQVVITP
Selected Chain(s)	B
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 B 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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -2.3982
• Maximal score value: 1.6264
• Average score: -0.4206
• Total score value: -21.0311

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	M	B	-0.0466
2	N	B	-1.4018
3	F	B	-0.1541
4	T	B	0.7011
5	I	B	1.6264
6	S	B	-0.2901
7	E	B	-1.6417
8	E	B	-1.8716
9	L	B	-0.0030
10	L	B	-0.1254
11	P	B	-0.3950
12	S	B	-0.5901
13	G	B	-0.7480
14	Q	B	-1.2258
15	G	B	-0.9684
16	V	B	-0.3358
17	L	B	0.0976
18	T	B	0.3562
19	L	B	1.3470
20	S	B	0.1227
21	G	B	-1.0171
22	N	B	-2.0263
23	T	B	-1.5474
24	S	B	-1.7552
25	E	B	-2.3982
26	L	B	-1.3801
27	Q	B	-1.6987
28	P	B	-1.0125
29	N	B	-0.9856
30	T	B	-0.9024
31	T	B	-0.9109
32	L	B	-0.6592
33	R	B	-1.0548
34	W	B	0.6743
35	L	B	1.0765
36	S	B	0.1735
37	G	B	-0.6948
38	G	B	-0.7407
39	E	B	-1.0732
40	L	B	0.6880
41	V	B	1.3275
42	A	B	0.6386
43	T	B	-0.2202
44	A	B	-0.6076
45	Q	B	-1.0465
46	V	B	0.1810
47	V	B	0.9981
48	I	B	0.3520
49	T	B	0.2172
50	P	B	-0.0800