Project name: 6769d2d34ea2318 [mutate: WL74A]

Chain sequence(s)	A: GEVEYLCDYKKIREQEYYLVKWRGYPDSESTWEPRQNLKCVRILKQFHKDLERELLRRHHRS; C: GEVEYLCDYKKIREQEYYLVKWRGYPDSESTWEPRQNLKCVRILKQFHKDLERELLRR; B: GEVEYLCDYKKIREQEYYLVKWRGYPDSESTWEPRQNLKCVRILKQFHKDLERELLRRHHR
Selected Chain(s)	A,C,B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	WL74A
Energy difference between WT (input) and mutated protein (by FoldX)	2.40953 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:03:29)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:03:51)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:50)

• Minimal score value: -3.9884
• Maximal score value: 0.7599
• Average score: -1.2628
• Total score value: -228.559

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
43	G	A	-2.0316
44	E	A	-2.9221
45	V	A	-1.7490
46	E	A	-1.7772
47	Y	A	-0.4513
48	L	A	0.0000
49	C	A	-0.4364
50	D	A	-1.3844
51	Y	A	0.0000
52	K	A	-1.5302
53	K	A	-1.7537
54	I	A	-0.5605
55	R	A	-2.1926
56	E	A	-2.7602
57	Q	A	-2.2629
58	E	A	-1.7590
59	Y	A	-0.8533
60	Y	A	0.0000
61	L	A	0.0313
62	V	A	0.0000
63	K	A	0.0000
64	W	A	-1.7187
65	R	A	-2.7098
66	G	A	-1.5202
67	Y	A	-0.4998
68	P	A	-1.3255
69	D	A	-2.3665
70	S	A	-1.5766
71	E	A	-1.6696
72	S	A	-0.8127
73	T	A	-0.0631
74	L	A	0.4495	mutated: WL74A
75	E	A	-0.3014
76	P	A	-0.8316
77	R	A	-1.6350
78	Q	A	-2.1722
79	N	A	-1.7524
80	L	A	0.0000
81	K	A	-2.1571
82	C	A	-1.1865
83	V	A	-0.6801
84	R	A	-2.1766
85	I	A	-1.3941
86	L	A	0.0000
87	K	A	-2.9736
88	Q	A	-2.7963
89	F	A	-1.8015
90	H	A	-2.7222
91	K	A	-3.4205
92	D	A	-2.6841
93	L	A	-2.3732
94	E	A	-2.6504
95	R	A	-3.4651
96	E	A	-3.1470
97	L	A	0.0000
98	L	A	0.0000
99	R	A	-3.9884
100	R	A	-3.4814
101	H	A	-2.5417
102	H	A	-2.4931
103	R	A	-3.0084
104	S	A	-1.7376
43	G	B	-1.3949
44	E	B	-2.0626
45	V	B	0.0000
46	E	B	-1.3192
47	Y	B	0.0000
48	L	B	0.0000
49	C	B	-0.5061
50	D	B	-0.6124
51	Y	B	0.0000
52	K	B	-1.3265
53	K	B	-2.0763
54	I	B	-0.4099
55	R	B	-2.3546
56	E	B	-2.7049
57	Q	B	-2.2501
58	E	B	-1.8978
59	Y	B	-0.8902
60	Y	B	0.0000
61	L	B	0.1437
62	V	B	0.0000
63	K	B	-1.3445
64	W	B	-1.6613
65	R	B	-2.4547
66	G	B	-1.3581
67	Y	B	-0.5591
68	P	B	-1.2875
69	D	B	-2.3405
70	S	B	-1.5219
71	E	B	-1.6009
72	S	B	-1.0968
73	T	B	-0.2478
74	W	B	0.1629
75	E	B	-0.7803
76	P	B	-1.7261
77	R	B	-3.0510
78	Q	B	-2.8319
79	N	B	-2.3161
80	L	B	0.0000
81	K	B	-1.9075
82	C	B	0.0000
83	V	B	0.7599
84	R	B	-0.4842
85	I	B	0.0000
86	L	B	-0.3273
87	K	B	-0.6058
88	Q	B	0.0000
89	F	B	0.0000
90	H	B	-0.7287
91	K	B	-0.7049
92	D	B	0.0000
93	L	B	0.0000
94	E	B	-1.0960
95	R	B	-0.8284
96	E	B	0.0000
97	L	B	-1.3998
98	L	B	-1.5172
99	R	B	-2.3423
100	R	B	-3.1628
101	H	B	-2.3756
102	H	B	-2.5148
103	R	B	-2.9176
43	G	C	-1.4627
44	E	C	-2.3209
45	V	C	0.0000
46	E	C	-1.3964
47	Y	C	-0.8579
48	L	C	0.0000
49	C	C	-0.3584
50	D	C	-1.0056
51	Y	C	-1.1123
52	K	C	-1.8305
53	K	C	-2.6346
54	I	C	-1.2003
55	R	C	-2.7263
56	E	C	-2.9401
57	Q	C	-2.4104
58	E	C	-2.1960
59	Y	C	-1.1195
60	Y	C	0.0000
61	L	C	-0.0709
62	V	C	0.0000
63	K	C	-1.2731
64	W	C	-1.6404
65	R	C	-2.2435
66	G	C	-1.3985
67	Y	C	-0.5107
68	P	C	-1.1430
69	D	C	-2.0240
70	S	C	-1.8447
71	E	C	-2.1542
72	S	C	-1.2788
73	T	C	-0.3764
74	W	C	0.3001
75	E	C	-0.6849
76	P	C	-1.6078
77	R	C	-2.3907
78	Q	C	-2.7842
79	N	C	-2.6562
80	L	C	0.0000
81	K	C	-2.0798
82	C	C	-0.7726
83	V	C	0.5686
84	R	C	-0.6111
85	I	C	0.0000
86	L	C	0.0000
87	K	C	-0.8127
88	Q	C	0.0000
89	F	C	0.0000
90	H	C	-1.3149
91	K	C	-1.4358
92	D	C	0.0000
93	L	C	-0.5065
94	E	C	-1.3872
95	R	C	-0.8888
96	E	C	-0.5683
97	L	C	0.4029
98	L	C	0.6211
99	R	C	-0.9673
100	R	C	-1.8448