Project name: 19293a10be77a5b [mutate: LG40B] [mutate: GS40B] [mutate: SL40B, LS39B]

Chain sequence(s)	C: DARRKAEMLQNEAKTLLAQANSKLQLLKDLERKYEDNQRYLEDKAQELARLEGEVRSLLKDISQKVAVYSTCL; B: ENVERWQGQYEGLRGQDLGQAVLDAGHSVSTLEKTLPQLSAKLSILENRGVHNASLALSASIGRVRELCAQARGAASKVKV; D: DTVDLNKLNEIEGTLNKAKDEMKVSDLDRKVSDLENEAKKQEAAIMDYNRDIEEIMKCIRNLEDIRKTLPSGCFNTPSIEKP
Selected Chain(s)	B,C,D
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	SL40B,LS39B
Energy difference between WT (input) and mutated protein (by FoldX)	2.84969 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                                                       (00:03:32)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:04:14)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:57)

• Minimal score value: -4.2237
• Maximal score value: 1.7673
• Average score: -1.4898
• Total score value: -351.6002

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	-2.4984
9	Q	B	-2.0995
10	Y	B	-1.6927
11	E	B	-2.8779
12	G	B	-2.0283
13	L	B	-1.1667
14	R	B	-2.9622
15	G	B	-2.9567
16	Q	B	-2.5063
17	D	B	-2.5452
18	L	B	-2.5111
19	G	B	-1.6143
20	Q	B	-1.5491
21	A	B	0.0000
22	V	B	0.0000
23	L	B	0.0487
24	D	B	-1.0077
25	A	B	0.0000
26	G	B	-1.0362
27	H	B	-1.2929
28	S	B	-1.3792
29	V	B	0.0000
30	S	B	-1.5296
31	T	B	-1.7195
32	L	B	0.0000
33	E	B	-3.1287
34	K	B	-2.8540
35	T	B	-1.8480
36	L	B	0.0000
37	P	B	-1.5826
38	Q	B	-1.5299
39	S	B	0.0000	mutated: LS39B
40	L	B	-0.1294	mutated: SL40B
41	A	B	-0.0147
42	K	B	-0.3675
43	L	B	0.0000
44	S	B	-0.3317
45	I	B	0.6123
46	L	B	0.0000
47	E	B	-2.0180
48	N	B	-1.5229
49	R	B	-0.9029
50	G	B	-0.4787
51	V	B	0.8582
52	H	B	0.0587
53	N	B	-0.5641
54	A	B	0.0000
55	S	B	0.4189
56	L	B	1.2990
57	A	B	0.3360
58	L	B	0.0000
59	S	B	-0.0531
60	A	B	-0.0386
61	S	B	-0.6833
62	I	B	0.0000
63	G	B	-1.8923
64	R	B	-2.3713
65	V	B	0.0000
66	R	B	-2.8602
67	E	B	-3.2218
68	L	B	0.0000
69	C	B	0.0000
70	A	B	-1.8994
71	Q	B	-2.0481
72	A	B	0.0000
73	R	B	-2.2023
74	G	B	-1.5653
75	A	B	-1.6893
76	A	B	0.0000
77	S	B	-1.6104
78	K	B	-2.2208
79	V	B	0.0000
80	K	B	-1.2967
81	V	B	0.6479
1	D	C	-2.6152
2	A	C	-2.3951
3	R	C	-3.2262
4	R	C	-3.2976
5	K	C	-2.4882
6	A	C	0.0000
7	E	C	-2.7951
8	M	C	-1.8863
9	L	C	0.0000
10	Q	C	-2.1769
11	N	C	-2.3535
12	E	C	-2.2106
13	A	C	0.0000
14	K	C	-2.2818
15	T	C	-1.5666
16	L	C	-1.2171
17	L	C	-1.5519
18	A	C	-1.1690
19	Q	C	-1.6017
20	A	C	0.0000
21	N	C	-1.6353
22	S	C	-1.4844
23	K	C	-1.7171
24	L	C	-1.5483
25	Q	C	-2.0905
26	L	C	-1.3421
27	L	C	0.0000
28	K	C	-2.3587
29	D	C	-2.5608
30	L	C	0.0000
31	E	C	-2.6151
32	R	C	-3.8053
33	K	C	-3.4763
34	Y	C	-2.8949
35	E	C	-3.5642
36	D	C	-3.6683
37	N	C	0.0000
38	Q	C	-2.4838
39	R	C	-3.1084
40	Y	C	-1.9276
41	L	C	0.0000
42	E	C	-2.6695
43	D	C	-3.0287
44	K	C	-2.3132
45	A	C	-1.8714
46	Q	C	-2.7642
47	E	C	-2.5641
48	L	C	0.0000
49	A	C	-1.9495
50	R	C	-2.7423
51	L	C	-1.7698
52	E	C	0.0000
53	G	C	-2.0419
54	E	C	-2.3992
55	V	C	0.0000
56	R	C	-2.3842
57	S	C	-2.0164
58	L	C	0.0000
59	L	C	-2.3836
60	K	C	-2.9945
61	D	C	-2.6899
62	I	C	0.0000
63	S	C	-2.0910
64	Q	C	-1.9929
65	K	C	-1.5022
66	V	C	0.0000
67	A	C	-0.3966
68	V	C	0.9046
69	Y	C	0.6723
70	S	C	0.3120
71	T	C	0.8508
72	C	C	1.4475
73	L	C	1.7673
1	D	D	-1.5078
2	T	D	-0.4539
3	V	D	0.5032
4	D	D	-1.0002
5	L	D	-1.3395
6	N	D	-2.2157
7	K	D	-2.1152
8	L	D	0.0000
9	N	D	-3.0993
10	E	D	-3.3593
11	I	D	0.0000
12	E	D	-2.4824
13	G	D	-2.1320
14	T	D	-2.2281
15	L	D	0.0000
16	N	D	-2.7008
17	K	D	-3.6193
18	A	D	0.0000
19	K	D	-2.8985
20	D	D	-3.5636
21	E	D	-3.1451
22	M	D	0.0000
23	K	D	-3.0513
24	V	D	-0.6523
25	S	D	-1.7423
26	D	D	-3.1464
27	L	D	0.0000
28	D	D	-3.9926
29	R	D	-4.1852
30	K	D	-3.7410
31	V	D	0.0000
32	S	D	-3.1474
33	D	D	-4.2237
34	L	D	0.0000
35	E	D	-3.7086
36	N	D	-3.9195
37	E	D	-3.9413
38	A	D	0.0000
39	K	D	-4.1064
40	K	D	-3.6844
41	Q	D	-2.7911
42	E	D	-2.4684
43	A	D	-1.8360
44	A	D	-1.6407
45	I	D	0.0000
46	M	D	-1.2324
47	D	D	-2.6190
48	Y	D	-2.0289
49	N	D	-2.3952
50	R	D	-3.6589
51	D	D	-3.2665
52	I	D	0.0000
53	E	D	-3.8132
54	E	D	-3.6253
55	I	D	0.0000
56	M	D	-2.1498
57	K	D	-2.9287
58	C	D	-2.3640
59	I	D	0.0000
60	R	D	-2.8250
61	N	D	-2.6298
62	L	D	0.0000
63	E	D	-2.8362
64	D	D	-3.2086
65	I	D	-2.0116
66	R	D	-2.6204
67	K	D	-2.7098
68	T	D	-1.2434
69	L	D	0.0000
70	P	D	0.0532
71	S	D	-0.1982
72	G	D	0.3153
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