Project name: 5b566dd868d30bd [mutate: LQ26C]

Chain sequence(s)	C: DARRKAEMLQNEAKTLLAQANSKLQLLKDLERKYEDNQRYLEDKAQELARLEGEVRSLLKDISQKVAVYSTCL; B: ENVERWQGQYEGLRGQDLGQAVLDAGHSVSTLEKTLPQLLAKLSILENRGVHNASLALSASIGRVRELCAQARGAASKVKV; D: DTVDLNKLNEIEGTLNKAKDEMKVSDLDRKVSDLENEAKKQEAAIMDYNRDIEEIMKCIRNLEDIRKTLPSGCFNTPSIEKP
Selected Chain(s)	B,C,D
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	LQ26C
Energy difference between WT (input) and mutated protein (by FoldX)	1.0099 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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]       FoldX:    Building mutant model                                                       (00:11:27)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:11:58)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:16:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:35)

• Minimal score value: -4.2034
• Maximal score value: 1.7673
• Average score: -1.4949
• Total score value: -352.8071

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	E	B	-2.8729
2	N	B	-2.3170
3	V	B	-0.8212
4	E	B	-2.9648
5	R	B	-3.2726
6	W	B	-1.2804
7	Q	B	-1.8860
8	G	B	-2.5047
9	Q	B	-2.1088
10	Y	B	-1.7109
11	E	B	-2.8929
12	G	B	-2.0577
13	L	B	-1.2163
14	R	B	-3.0335
15	G	B	-3.0109
16	Q	B	-2.5812
17	D	B	-2.6812
18	L	B	-2.5858
19	G	B	-1.6609
20	Q	B	-1.6030
21	A	B	0.0000
22	V	B	0.0000
23	L	B	0.0304
24	D	B	-1.0110
25	A	B	0.0000
26	G	B	-1.0374
27	H	B	-1.2957
28	S	B	-1.3868
29	V	B	0.0000
30	S	B	-1.5301
31	T	B	-1.7228
32	L	B	0.0000
33	E	B	-3.1274
34	K	B	-2.8514
35	T	B	-1.8416
36	L	B	0.0000
37	P	B	-1.5353
38	Q	B	-1.5146
39	L	B	0.0000
40	L	B	-0.0713
41	A	B	-0.0191
42	K	B	-0.3620
43	L	B	0.0000
44	S	B	-0.3568
45	I	B	0.5643
46	L	B	0.0000
47	E	B	-2.0510
48	N	B	-1.5489
49	R	B	-0.9174
50	G	B	-0.4905
51	V	B	0.8530
52	H	B	0.0521
53	N	B	-0.5678
54	A	B	0.0000
55	S	B	0.4152
56	L	B	1.2982
57	A	B	0.3333
58	L	B	0.0000
59	S	B	-0.0553
60	A	B	-0.0432
61	S	B	-0.7065
62	I	B	0.0000
63	G	B	-1.9029
64	R	B	-2.3917
65	V	B	0.0000
66	R	B	-2.8681
67	E	B	-3.2203
68	L	B	0.0000
69	C	B	0.0000
70	A	B	-1.8877
71	Q	B	-2.0113
72	A	B	0.0000
73	R	B	-2.2229
74	G	B	-1.5610
75	A	B	-1.6858
76	A	B	0.0000
77	S	B	-1.6149
78	K	B	-2.2246
79	V	B	0.0000
80	K	B	-1.2967
81	V	B	0.6460
1	D	C	-2.6359
2	A	C	-2.3816
3	R	C	-3.2294
4	R	C	-3.2569
5	K	C	-2.4624
6	A	C	0.0000
7	E	C	-2.6987
8	M	C	-1.6482
9	L	C	0.0000
10	Q	C	-2.1167
11	N	C	-2.2996
12	E	C	-2.1535
13	A	C	0.0000
14	K	C	-2.2592
15	T	C	-1.5321
16	L	C	-1.1376
17	L	C	-1.4849
18	A	C	-1.0587
19	Q	C	-1.3846
20	A	C	0.0000
21	N	C	-1.6211
22	S	C	-1.5037
23	K	C	-1.8081
24	L	C	-1.6595
25	Q	C	-2.3115
26	Q	C	-1.9069	mutated: LQ26C
27	L	C	0.0000
28	K	C	-2.4677
29	D	C	-2.6699
30	L	C	0.0000
31	E	C	-2.6427
32	R	C	-3.7525
33	K	C	-3.4642
34	Y	C	-2.8528
35	E	C	-3.4965
36	D	C	-3.6476
37	N	C	0.0000
38	Q	C	-2.4659
39	R	C	-3.0879
40	Y	C	-1.9212
41	L	C	0.0000
42	E	C	-2.6845
43	D	C	-3.0381
44	K	C	-2.3261
45	A	C	-1.8969
46	Q	C	-2.7962
47	E	C	-2.6183
48	L	C	0.0000
49	A	C	-1.9915
50	R	C	-2.8002
51	L	C	0.0000
52	E	C	0.0000
53	G	C	-2.0726
54	E	C	-2.3829
55	V	C	0.0000
56	R	C	-2.4279
57	S	C	-2.0357
58	L	C	0.0000
59	L	C	-2.3820
60	K	C	-3.0040
61	D	C	-2.7042
62	I	C	0.0000
63	S	C	-2.0922
64	Q	C	-2.0016
65	K	C	-1.5170
66	V	C	0.0000
67	A	C	-0.4022
68	V	C	0.8991
69	Y	C	0.6682
70	S	C	0.3097
71	T	C	0.8509
72	C	C	1.4475
73	L	C	1.7673
1	D	D	-1.5164
2	T	D	-0.4667
3	V	D	0.4911
4	D	D	-0.9960
5	L	D	-1.3447
6	N	D	-2.1776
7	K	D	-2.0714
8	L	D	0.0000
9	N	D	-2.9604
10	E	D	-3.2831
11	I	D	0.0000
12	E	D	-2.3890
13	G	D	-2.0856
14	T	D	-2.2059
15	L	D	0.0000
16	N	D	-2.6631
17	K	D	-3.5524
18	A	D	0.0000
19	K	D	-2.8195
20	D	D	-3.4359
21	E	D	-2.8808
22	M	D	-2.4507
23	K	D	-2.9368
24	V	D	-0.5532
25	S	D	-1.6498
26	D	D	-3.0962
27	L	D	0.0000
28	D	D	-3.9707
29	R	D	-4.1828
30	K	D	-3.7413
31	V	D	0.0000
32	S	D	-3.1311
33	D	D	-4.2034
34	L	D	0.0000
35	E	D	-3.7561
36	N	D	-3.8847
37	E	D	-3.8754
38	A	D	0.0000
39	K	D	-4.0825
40	K	D	-3.6602
41	Q	D	-2.7767
42	E	D	-2.4646
43	A	D	-1.8291
44	A	D	-1.6411
45	I	D	0.0000
46	M	D	-1.2314
47	D	D	-2.6208
48	Y	D	-2.0378
49	N	D	-2.4139
50	R	D	-3.6705
51	D	D	-3.3038
52	I	D	0.0000
53	E	D	-3.8907
54	E	D	-3.7395
55	I	D	0.0000
56	M	D	-2.2933
57	K	D	-3.1871
58	C	D	-2.4989
59	I	D	0.0000
60	R	D	-2.8837
61	N	D	-2.7209
62	L	D	0.0000
63	E	D	-2.8485
64	D	D	-3.2138
65	I	D	-2.0293
66	R	D	-2.6175
67	K	D	-2.7083
68	T	D	-1.2449
69	L	D	0.0000
70	P	D	0.0509
71	S	D	-0.2014
72	G	D	0.3130
73	C	D	1.4347
74	F	D	1.7618
75	N	D	0.1275
76	T	D	0.3351
77	P	D	0.1095
78	S	D	-0.3981
79	I	D	0.3595
80	E	D	-1.8240
81	K	D	-2.1228
82	P	D	-1.3013