Project name: 4ddcda4c8dbde7e

Chain sequence(s)	A: CGGVQAEEQKLISEEDLLRKRREQLKHKLEQL; B: CGGMRRKNDTHQQDIDDLKRQNALLEQQVRAL
Selected Chain(s)	A,B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:49)

• Minimal score value: -5.0842
• Maximal score value: 0.62
• Average score: -2.3603
• Total score value: -151.0599

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
3	C	A	0.3761
4	G	A	-0.6450
5	G	A	-1.3058
6	V	A	0.0000
7	Q	A	-2.1851
8	A	A	-2.2075
9	E	A	-2.6229
10	E	A	-2.7586
11	Q	A	-2.9087
12	K	A	-3.3086
13	L	A	-2.4573
14	I	A	-1.4638
15	S	A	-1.6458
16	E	A	-2.4229
17	E	A	0.0000
18	D	A	-2.1743
19	L	A	-1.3449
20	L	A	-3.1551
21	R	A	-3.7742
22	K	A	-3.9307
23	R	A	-4.5221
24	R	A	-4.6009
25	E	A	-5.0842
26	Q	A	-4.6307
27	L	A	-4.0287
28	K	A	-3.9223
29	H	A	-4.0127
30	K	A	-2.7900
31	L	A	-1.9269
32	E	A	-3.0569
33	Q	A	-2.0927
34	L	A	0.0818
3	C	B	0.6200
4	G	B	-0.5894
5	G	B	-1.5188
6	M	B	-1.6574
7	R	B	-3.1637
8	R	B	-3.4681
9	K	B	-2.9858
10	N	B	0.0000
11	D	B	-3.0703
12	T	B	-2.8994
13	H	B	-3.2110
14	Q	B	-3.4593
15	Q	B	-3.8196
16	D	B	-4.0922
17	I	B	-3.9520
18	D	B	-4.7639
19	D	B	-4.7875
20	L	B	0.0000
21	K	B	-4.1925
22	R	B	-3.7257
23	Q	B	-2.5752
24	N	B	0.0000
25	A	B	-1.5997
26	L	B	-0.4602
27	L	B	-1.4667
28	E	B	-2.3947
29	Q	B	-2.0464
30	Q	B	-1.6566
31	V	B	-1.2492
32	R	B	-2.1100
33	A	B	-0.8529
34	L	B	0.6097