Project name: 7WHK_D [mutate: LK4D]

Chain sequence(s)	D: EVQLVESGGGLVQPGGSLRLSCAASDFYFDYYEMSWVRQAPGQGLEWVSTISGLGGATYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTALYYCATRSPFGDYAFSYWGQGTLVTVS
Selected Chain(s)	D
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	LK4D
Energy difference between WT (input) and mutated protein (by FoldX)	1.42534 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with D chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       FoldX:    Building mutant model                                                       (00:00:26)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:42)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -3.0712
• Maximal score value: 1.5691
• Average score: -0.4812
• Total score value: -57.2676

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	D	-1.9345
2	V	D	-1.4479
3	Q	D	-1.4763
4	K	D	-0.2498	mutated: LK4D
5	V	D	1.0435
6	E	D	0.2086
7	S	D	-0.3644
8	G	D	-0.7494
9	G	D	-0.2008
10	G	D	0.5545
11	L	D	1.1623
12	V	D	0.0000
13	Q	D	-1.4504
14	P	D	-2.0700
15	G	D	-1.8434
16	G	D	-1.3589
17	S	D	-1.3729
18	L	D	-1.2216
19	R	D	-2.0318
20	L	D	0.0000
21	S	D	-0.4194
22	C	D	0.0000
23	A	D	0.1850
24	A	D	0.0000
25	S	D	-1.0329
26	D	D	-1.7094
27	F	D	0.0000
28	Y	D	0.6274
29	F	D	-0.0772
30	D	D	-0.8335
31	Y	D	0.8116
32	Y	D	0.7812
33	E	D	0.0000
34	M	D	0.0000
35	S	D	0.0000
36	W	D	0.0000
37	V	D	0.0000
38	R	D	-0.2574
39	Q	D	-0.5372
40	A	D	-0.9512
41	P	D	-0.8513
42	G	D	-1.2085
43	Q	D	-1.7927
44	G	D	-1.2107
45	L	D	-0.3818
46	E	D	-1.3070
47	W	D	0.1573
48	V	D	0.0000
49	S	D	0.0000
50	T	D	0.7081
51	I	D	0.0000
52	S	D	0.1845
53	G	D	0.0098
54	L	D	0.9599
55	G	D	-0.0964
56	G	D	-0.2574
57	A	D	0.1936
58	T	D	0.5306
59	Y	D	1.1362
60	Y	D	0.3039
61	A	D	-0.8315
62	D	D	-2.0784
63	S	D	-1.5229
64	V	D	-1.3884
65	K	D	-2.1034
66	G	D	-1.7736
67	R	D	-1.5465
68	F	D	0.0000
69	T	D	-0.4636
70	I	D	0.0734
71	S	D	-0.4952
72	R	D	-1.1584
73	D	D	-1.8570
74	N	D	-2.5682
75	S	D	-1.9168
76	K	D	-2.4055
77	N	D	-2.0097
78	T	D	-1.1519
79	L	D	0.0000
80	Y	D	-0.3785
81	L	D	0.0000
82	Q	D	-1.4809
83	M	D	0.0000
84	N	D	-2.0519
85	S	D	-1.6076
86	L	D	0.0000
87	R	D	-3.0712
88	A	D	-2.1162
89	E	D	-2.4475
90	D	D	0.0000
91	T	D	-0.7076
92	A	D	0.0000
93	L	D	0.7458
94	Y	D	0.0000
95	Y	D	0.1851
96	C	D	0.0000
97	A	D	0.0000
98	T	D	0.0000
99	R	D	0.1256
100	S	D	0.4252
101	P	D	0.7482
102	F	D	1.4823
103	G	D	-0.2314
104	D	D	-1.0653
105	Y	D	0.5100
106	A	D	0.0318
107	F	D	0.0000
108	S	D	-0.1625
109	Y	D	0.3233
110	W	D	0.2382
111	G	D	-0.3048
112	Q	D	-1.0209
113	G	D	0.0000
114	T	D	0.2552
115	L	D	1.5691
116	V	D	0.0000
117	T	D	0.1369
118	V	D	0.0000
119	S	D	-1.0623