Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTTPGEDHAGSFYLPRLEYSTLPMAVDRGVGWKTLR-D-AGPVVF---MNGWYYLTRREDVLAALRNPKVFSSRKALQPP--GNPLPVVPLAFDPPEHTRYRRILQPYFSPAALSKALPSLRRHTVAMIDAIAGRGECEAMADLANLFPFQLFLVLYGLPLEDRDRLIGWKDAVIAMSDR-PHP-TEADVAAARELLEYLTAMVAERRRNPGPDVLSQVQI---GEDPLSEIEVLGLSHLLILAGLDTVTAAVGFSLLELARRPQLRAMLRDNPKQIRVFIEEIVRLEPSAPVAPRVTTEPVTVGGMTLPAGSPVRLCMAAVNRDGSDAMSTDELVMDGKVHRHWGFGGGPHRCLGSHLARLELTLLVGEWLNQIPDFELAPDYAPEIRFPSKSF-ALKNLPLRWS |
4C9L Chain:A ((21-415)) | --------PGHLIREIDAYDLDGLEQGFHEAWKRVQQPDTPPLVWTPFTGGHWIATRGTLIDEIYRSPERFSSRVIWVPREAGEAYDMVPTKLDPPEHTPYRKAIDKGLNLAEIRKLEDQIRTIAVEIIEGFADRGHCEFGSEFSTVFPVRVFLALAGLPVEDATKLGLLANEMTRPSGNTPEEQGRSLEAANKGFFEYVAPIIAARRGGSGTDLITRILNVEIDGKPMPDDRALGLVSLLLLGGLDTVVNFLGFMMIYLSRHPETVAEMRREPLKLQRGVEELFRRFAVVSD-ARYVVSDMEFHGTMLKEGDLILLPTALHGLDDRHHDDPMTVDLSRRDVTHSTFAQGPHRCAGMHLARLEVTVMLQEWLARIPEFRLKDRAV--PIYHSGIVAAVENIPLEWE |
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General information:
TITO was launched using:
| RESULT:
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Template: 4C9L.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -231230 for 3255 contacts (-71.0/contact) +
2D Compatibility (PS) -41412 + (NN) -25662 + (LL) 180
1D Compatibility (HY) -22400 + (ID) 5850
Total energy: -326374.0 ( -100.27 by residue)
QMean score : 0.542
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