Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPFSKFLENLTAPFKRIKNRSLVLALGFLILTFCLLLFLILSDVSRLISSKDFLYVIQSHPKQTLIEDENYFYANKGLYKTNKEAFLRVYKIPESMPIEKRESLSKVSKIFLALLFFISSMLFGIFWRLPKRLDTKMSLESAHKNELENAFQRYDALGVRFEDIAGVNEVKEELLEVIDYLKNPKKYQDLGIFLPKGVLLVGPPGVGKTMIAKALASEARVPFFYESGSAFSQIYVGAGAKKVHELFMHAKKHAPSIIFIDEIDALGKARG---GHRSDEREATLNQLLTEMDGFLQNDEVVVIGATNQMEVMDEALLRSKRFDRRIFISLPDLLERQSILEKLLENKKHA--LDYLKIAKICVGFSGAMLATLINESALNALKHQRKEITHGDILEVKDKIAY-GKKKPQTLDENQKELVALYQSAKALSAYWLE--------IEFDKASLLGEFIAFNENKIH-SESEIKNYIKVYLSGTIILELLYKERYSLSKQDLQKAKFLNEFMASELLLAPTKESLSVLYEEQLEFLKPQIAACKRLSALLLEQECLEHANFYDLLNG |
2DHR Chain:A ((28-387)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------VTFKDVAGAEEAKEELKEIVEFLKNPSRFHEMGARIPKGVLLVGPPGVGKTHLARAVAGEARVPFITASGSDFVEMFVGVGAARVRDLFETAKRHAPCIVFIDEIDAVGRKRGSGVGGGNDEREQTLNQLLVEMDGFEKDTAIVVMAATNRPDILDPALLRPGRFDRQIAIDAPDVKGREQILRIHARGKPLAEDVDLALLAKRTPGFVGADLENLLNEAALLAAREGRRKITMKDLEEAADRVMMLPAKKSLVLSPRDRRITAYHEAGHALAAHFLEHADGVHKVTIVPRGRALGFMMPRREDMLHWSRKRLLDQIAVALAGRAAEEIVFDDVTTGAENDFRQATELARRMITEWGMHPEFGPVAYAVREDTYLGGYDVRQYSEETAKRIDEAVRRLIEEQYQRVK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DHR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -152181 for 2642 contacts (-57.6/contact) +
2D Compatibility (PS) -36897 + (NN) -15390 + (LL) 13304
1D Compatibility (HY) -19600 + (ID) 7550
Total energy: -218314.0 ( -82.63 by residue)
QMean score : 0.491
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