Project name: 19293a10be77a5b [mutate: LQ40B]

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	LQ40B
Energy difference between WT (input) and mutated protein (by FoldX)	1.77739 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       FoldX:    Building mutant model                                                       (00:04:50)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:05:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:56)

• Minimal score value: -4.2149
• Maximal score value: 1.7673
• Average score: -1.4902
• Total score value: -351.6869

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	-2.9636
5	R	B	-3.2710
6	W	B	-1.2774
7	Q	B	-1.8822
8	G	B	-2.4965
9	Q	B	-2.0969
10	Y	B	-1.6877
11	E	B	-2.8716
12	G	B	-2.0320
13	L	B	-1.1758
14	R	B	-2.9593
15	G	B	-2.9618
16	Q	B	-2.5338
17	D	B	-2.6034
18	L	B	-2.5298
19	G	B	-1.6249
20	Q	B	-1.5712
21	A	B	0.0000
22	V	B	0.0000
23	L	B	0.0447
24	D	B	-1.0134
25	A	B	0.0000
26	G	B	-1.0353
27	H	B	-1.2936
28	S	B	-1.3862
29	V	B	0.0000
30	S	B	-1.5292
31	T	B	-1.7213
32	L	B	0.0000
33	E	B	-3.1282
34	K	B	-2.8530
35	T	B	-1.9066
36	L	B	0.0000
37	P	B	-1.7311
38	Q	B	-1.6617
39	L	B	0.0000
40	Q	B	-0.5608	mutated: LQ40B
41	A	B	-0.2247
42	K	B	-0.5035
43	L	B	0.0000
44	S	B	-0.4444
45	I	B	0.5397
46	L	B	0.0000
47	E	B	-1.9868
48	N	B	-1.5119
49	R	B	-0.8965
50	G	B	-0.4763
51	V	B	0.8614
52	H	B	0.0558
53	N	B	-0.5657
54	A	B	0.0000
55	S	B	0.4183
56	L	B	1.2985
57	A	B	0.3353
58	L	B	0.0000
59	S	B	-0.0528
60	A	B	-0.0386
61	S	B	-0.6998
62	I	B	0.0000
63	G	B	-1.8939
64	R	B	-2.3732
65	V	B	0.0000
66	R	B	-2.8554
67	E	B	-3.2121
68	L	B	0.0000
69	C	B	0.0000
70	A	B	-1.8769
71	Q	B	-2.0018
72	A	B	0.0000
73	R	B	-2.1813
74	G	B	-1.5453
75	A	B	-1.6758
76	A	B	0.0000
77	S	B	-1.6041
78	K	B	-2.2199
79	V	B	0.0000
80	K	B	-1.2967
81	V	B	0.6477
1	D	C	-2.6009
2	A	C	-2.3753
3	R	C	-3.1943
4	R	C	-3.2823
5	K	C	-2.4827
6	A	C	0.0000
7	E	C	-2.8242
8	M	C	-1.8922
9	L	C	0.0000
10	Q	C	-2.2008
11	N	C	-2.3940
12	E	C	-2.2331
13	A	C	0.0000
14	K	C	-2.3015
15	T	C	-1.5763
16	L	C	-1.2224
17	L	C	-1.5552
18	A	C	-1.1615
19	Q	C	-1.5790
20	A	C	0.0000
21	N	C	-1.6296
22	S	C	-1.4729
23	K	C	-1.7478
24	L	C	-1.6004
25	Q	C	-2.0772
26	L	C	-1.3294
27	L	C	0.0000
28	K	C	-2.3393
29	D	C	-2.5572
30	L	C	0.0000
31	E	C	-2.6191
32	R	C	-3.8210
33	K	C	-3.5232
34	Y	C	-2.9082
35	E	C	-3.5742
36	D	C	-3.6857
37	N	C	0.0000
38	Q	C	-2.4918
39	R	C	-3.1153
40	Y	C	-1.9319
41	L	C	0.0000
42	E	C	-2.6743
43	D	C	-3.0325
44	K	C	-2.3180
45	A	C	-1.8902
46	Q	C	-2.7893
47	E	C	-2.6106
48	L	C	0.0000
49	A	C	-1.9975
50	R	C	-2.8133
51	L	C	0.0000
52	E	C	0.0000
53	G	C	-2.0829
54	E	C	-2.4300
55	V	C	0.0000
56	R	C	-2.3969
57	S	C	-2.0321
58	L	C	0.0000
59	L	C	-2.3720
60	K	C	-2.9994
61	D	C	-2.7024
62	I	C	0.0000
63	S	C	-2.0910
64	Q	C	-2.0022
65	K	C	-1.5164
66	V	C	0.0000
67	A	C	-0.4019
68	V	C	0.9001
69	Y	C	0.6689
70	S	C	0.3101
71	T	C	0.8508
72	C	C	1.4475
73	L	C	1.7673
1	D	D	-1.5071
2	T	D	-0.4528
3	V	D	0.5042
4	D	D	-0.9931
5	L	D	-1.3314
6	N	D	-2.2135
7	K	D	-2.1133
8	L	D	0.0000
9	N	D	-3.0966
10	E	D	-3.3568
11	I	D	0.0000
12	E	D	-2.4747
13	G	D	-2.1314
14	T	D	-2.2296
15	L	D	0.0000
16	N	D	-2.7117
17	K	D	-3.6336
18	A	D	0.0000
19	K	D	-2.9307
20	D	D	-3.5889
21	E	D	-3.2340
22	M	D	0.0000
23	K	D	-3.0664
24	V	D	-0.6650
25	S	D	-1.8267
26	D	D	-3.1510
27	L	D	0.0000
28	D	D	-3.9929
29	R	D	-4.1867
30	K	D	-3.7379
31	V	D	0.0000
32	S	D	-3.1466
33	D	D	-4.2149
34	L	D	0.0000
35	E	D	-3.7098
36	N	D	-3.9113
37	E	D	-3.9132
38	A	D	0.0000
39	K	D	-4.0895
40	K	D	-3.6665
41	Q	D	-2.7752
42	E	D	-2.4408
43	A	D	-1.8187
44	A	D	-1.6320
45	I	D	0.0000
46	M	D	-1.2265
47	D	D	-2.6177
48	Y	D	-2.0274
49	N	D	-2.4036
50	R	D	-3.6538
51	D	D	-3.2578
52	I	D	0.0000
53	E	D	-3.8024
54	E	D	-3.5965
55	I	D	0.0000
56	M	D	-2.1641
57	K	D	-2.9348
58	C	D	-2.3620
59	I	D	0.0000
60	R	D	-2.8090
61	N	D	-2.6279
62	L	D	0.0000
63	E	D	-2.8261
64	D	D	-3.2017
65	I	D	-2.0056
66	R	D	-2.6146
67	K	D	-2.7058
68	T	D	-1.2412
69	L	D	0.0000
70	P	D	0.0518
71	S	D	-0.2009
72	G	D	0.3134
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