Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAPVALTPELLTQLTAIVGENRIKTDADSLENWGKDHTKHFNPNPSVIVFPSTTEQVQEVVKLANQF---NIAITPSGGRTGLSAGAVATKGEIVISMDKMNQ-----ILEFFPADRMVRVQAGVVTEQLQNYAEEQGMYYPVDFASAGSSQIGGNIGTNAGGIKVIKYGMTRNWVLGLTVVTGKGDILRLNKGMIKNATGYALQHLFIGGEGTLGLVTEAEIKLERQPQNLQVLVLGVPDFDAVMPVLHAFQKDI--DLTAFEFFGELTMQKVLD---R---GHV-QR-P---------FETQCPFYVLLEF-EAPYEP----IIDKAMEIFEHCMEQGWVLDGVMSQSLDQVESLWRLREDISESIA--PF--IPYKNDISVLITHVPAFIREIDAIVQENY----PYFEICWFGHIGDG---------NLHLNILKPENLTKDEFFAKCQVVNKYVFDTVKKYDGSISAEHGVGMTKKPYLEYSRSAEEIEYMKALKKVFDPKGIMNPGKLFDL 3S1E Chain:A ((18-514)) ------------ASLAALALDGKLRTDSNATAAASTDFGNITSALPAAVLYPSSTADLVALLSAANSTPGWPYTIAFRGRGHSLMGQAFAP-GGVVVNMASLGDAAAPPRINVSADGRYVDAGGEQVWIDVLRASLARGVAPR-SWTDYLYLTVGGTLSNAGISGQAFRHGPQISNVLEMDVITGHGEMVTCSK-----QLNADLFDAVLGGLGQFGVITRARIAVEPAPARARWVRLVYTDFAAFSADQERLTAPRPASFGPMSYVEGSVFVNQSLATDLANTGFFTDADVARIVALAGERNATTVYSIEATLNYDNATAAAAAVDQELASVLGTL---SYVEGFAFQRDVAYAAFLDRVHGEEVALNKLGLWRVPHPWLNMFVPRSRIADFDRGVFKGILQGTDIVGQLIVYPLNKSMWDDGMSAATPSEDVFYAVSLLFSSVAPNDLARLQEQNRRILRFCDLAGIQYKTYLARHTDRSDW-VRHFGAAKWNRFVEMKNKYDPKRLLSPGQDI--

General information: TITO was launched using: RESULT: Template: 3S1E.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 : 2457 -43632 -17.76 -98.27 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -17.76 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.460

(partial model without unconserved sides chains): PDB file : Tito_3S1E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3S1E-query.scw PDB file : Tito_Scwrl_3S1E.pdb: