Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAGDLSAGFFMEELNTYRQKQGVVLKYQELPNSGPPHDRRFTFQVIIDGREFPEGEGRSKKEAKNAAAKLAVEILNKEKKAVSPLLLTTTNSSEGLSMGNYIGLINRIAQKKRLTVNYEQCASGVHGPEGFHYKCKMGQKEYSIGTGSTKQEAKQLAAKLAYLQILSEETSVKSDYLSSGSFATTCESQSNSLVTSTLASESSSEGDFSADTSEINSNSDSLNSSSLLMNGLRNNQRKAKRSLAPRFDLPDMKETKYTVDKRFGMDFKEIELIGSGGFGQVFKAKHRIDGKTYVIKRVKYNN-EKAER-----EVKALAKLDHVNIVHYNGCWDGFDYDPETSDDSLESSDYDPENSKNSSRSKTKCLFIQMEFCDKGTLEQWIEKRRGEK--LDKVLALELFEQITKGVDYIHSKKLIHRDLKPSNIFLVDTKQVKIGDFGLVTSLKNDGKRTRS-KGTLRYMSPEQISSQDYGKEVDLYALGLILAELLHVCD--TAFETSKFFTDLRDGIISDI---FDKKEKTLLQKLLSKKPEDRPNTSEILRTLTVWKKSPEKNERHTC |
2XK4 Chain:A ((7-266)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DYEVLYTIGT--YGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRY----------------------YD----RIIDRTNTT-LYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRS---RDLKPANVFLDGKQNVKLGDFGL-------------FVGTPYYMSPEQMNRM--NEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLILEHHHHHH----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XK4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -75862 for 1564 contacts (-48.5/contact) +
2D Compatibility (PS) -24001 + (NN) -14052 + (LL) 15216
1D Compatibility (HY) -22400 + (ID) 4200
Total energy: -125299.0 ( -80.11 by residue)
QMean score : 0.480
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