Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPEAQDVAARVAGRLASKRGTPVSVVSARQLPAGASRATYAVDLVDADGRIEQVIVRAVPSAADDGGLADEAKVLRAAADAGVPVPRILDAAFGGADNPLGFPYLAMEFIAGESIPRRILRD----GAHATARERFVEQCGRILARVHQIDAVEAPGLTELTDPVEGLRQLFPR--------EFDAMPAGLVLAVRWLRDNPPAPSPK-TCVVHGDFRLGNLLIDAEG--VAAVLDWELVHIGDPIEDLGWLCAKAW-----RFGGAAPV----AGMGERAALLDAYAEIAGWRPDEETLRWWELYATVKWGLICAVQANRHLDGVERSVELAAIGRRSAEQEFDALLDLGLVSPEMVEDPLAAGVAAPDEAPHGEPSSLELLEAVAGFLRSDSVTAEMSPQVRFHTRVAGNVVDVVRRQILLGPRQAAESAARLAALGVADQRALCDALWSGELDAADEKVRDAVVADVRARLLVANPRYFAVPHP 3DXP Chain:A ((86-343)) ----------------------------------------------------------------------EYRVMDALAGTDVPVAKMY--ALCEDESVIGRAFYIMEFVSG-----RVLWDQSLPGMSPAERTAIYDEMNRVIAAMHTVD-YQAIGLGDYGKPGNYFQRQIERWTKQYKLSETESIPAMDSLM-DWLPQHIPQEDADLTSIVHGDYRLDNLMFHPTEPRVLAVLDWELSTLGHPMGDFGYHCM-SWHIAPGQFRGIAGLDHAALGIPDEASYRKLYEQRTG-RPITGDWNFYLAFSMFRIAGILQGIMKRVVDGTASSAQALDAGKRA----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DXP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 995 -26008 -26.14 -111.14 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -26.14 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.186

(partial model without unconserved sides chains): PDB file : Tito_3DXP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxp-query.scw PDB file : Tito_Scwrl_3DXP.pdb: