Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MDIIR-------------------------KISHFAGQTFGIWVIVFAVLGFSFPSLFTWISSYITIF----LGIIMFGMGLTLQADDFKELVRKPWQVIIGVIAQYTIMPLVAFGLAFGLHLPA-EIAVGVILVGCCPGGTASNVM-TF-LAKGNTALSVA-VTTISTLLAPVVTPLLIMLFAKEWLPVSPGSLFISILQAVLFPIIAGLIVKMFFRKQVAKAVHALPLVSVIGIVAIVSAVVSGNR-------ENLLQSGLL----------IFSVVILHNGIGYLLGFLCAKLLKMDYPSQKAIAIEVGMQNSGLGAALATA-----------HFS------PLSAVPSAIFSVWHN----LSGS--MLATYWSKKVKKKQAGSKSSNLSL-- 4OL8 Chain:A ((24-461)) PVWLQQKYREIIRNDLPPPVKHDIEIKPGARLPRLQPYHVTEKNEQEINKIVQKLLDNKFIVPSKSPCSSPVVLVPKTFRLCVDYRTLNKATISDPFPLPRIDNLLSRIGNAQIFTTLDL-----HSGYHQIPMEPKDRYKTAFVTPSGKYEYTVMPFGLVNAPSTFARYMADTFRDLRFVNVYLDDILIFSE-----SPEEHWKHLDTVLERLKNENLIVK----KKKCKFEETEFLGYSIGIQKIAPLQHKCAAIRDFPTPKTVKQAQRFLGMINYYRRFIPNCSKIAQPITEKQDKAIDKLKDAPFNNKANYRLTTDASKDGIGAVLEEVDNKNKLVGVVGYFSKSLEYPAGELELLGIIKALHHFRYMLHGKHFTLRTNHARRVQRWLDDLATYDFTLEY

General information: TITO was launched using: RESULT: Template: 4OL8.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 : 1290 -68148 -52.83 -221.98 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -52.83 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.142

(partial model without unconserved sides chains): PDB file : Tito_4OL8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OL8-query.scw PDB file : Tito_Scwrl_4OL8.pdb: