Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPFSKFLENLTAPFKRIKNRSLVLALGFLILTFCLLLFLILSDVSRLISSKDFLYVIQSHPKQTLIEDENYFYANKGLYKTNKEAFLRVYKIPESMPIEKRESLSKVSKIFLALLFFISSMLFGIFWRLPKRLDTKMSLESAHKNELENAFQRYDALGVRFEDIAGVNEVKEELLEVIDYLKNPKKYQDLGIFLPKGVLLVGPPGVGKTMIAKALASEARVPFFYESGSAFSQIYVGAGAKKVHELFMHAKKHAPSIIFIDEIDALGKARGGHRSDEREATLNQLLTEMDGFLQNDEVVVIGATNQMEVMDEALLRSKRFDRRIFISLPDLLERQSILEKLLENKKHA--LDYLKIAKICVGFSGAMLATLINESALNALKHQRKEITHGDILEVKDKIAYGKKKPQTLDENQKELVALYQSAKALSAYWLEIE--FDKASLLGEFIAFNENKIHSESEIKNYIKVYLSGTIILELLYKER--YSLSKQDLQKAKFLNEFMASELLLAPTKESLSVLYEEQLEFLKPQIAACKRLSALLLEQECLEHANFYDLLNG |
4WW0 Chain:A ((15-372)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------VTFKDVAGIEEVKEEVKEIIEYLKDPVKFQKLGGRPPKGVLLYGEPGVGKTLLAKAIAGEAHVPFISVSGSDFVEMFVGVGAARVRDLFETAKKHAPCMIFIDEIDAVGR--------EREQTLNQLLVEMDGFDTSDGIIVIAATNRPDILDPALLRPGRFDRQIFIPKPDVRGRYEILKVHARNKKLAKDVDLEFVARATPGLTGADLENLLNEAALLAARKGKEEITMEEIEEALDRITM------TISPKEKEKIAIHEAGHALMGLVSDDDDKVHKISIIP--------HIYDKKDLYNKILVLLGGRAAEEVFFGKDGITTGAENDLQRATDLAYRMVSMWGMSDKVGPIAIRRDTSPDLLREIDEEVRRIITEQYEKAKAIVEEYKEPLKA |
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General information:
TITO was launched using:
| RESULT:
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Template: 4WW0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -162774 for 2437 contacts (-66.8/contact) +
2D Compatibility (PS) -34356 + (NN) -15934 + (LL) 13904
1D Compatibility (HY) -22800 + (ID) 7500
Total energy: -229460.0 ( -94.16 by residue)
QMean score : 0.565
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