Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKTMGIHHITAIVGHPQENTDFYAGVLGLRLVKQTVNFDDPGTYHLYFGNEGGKPGTIITFFPWAGARQGVIGDGQVGVTSYVVP-KGAMAFWEKRLEKFNVPYTK-IE-----RFGEQYVEFDDPHGLHLEIVEREEGE-ANTWTF-GE-VTPDVAIKGFGGATLLSEQPDKTADLLENIMGLERVGKEG---------DFVRYRSAGDIGNVIDLKLTPIGRGQMGAGTVHHIAWRANDDEDQLDWQRYIASHGYGVTPVRDR--NYFNAIYFREHGE-ILFEIATDPPGFAHDETQETMGEKLMLPVQYEPHRTQIEQGLLPFEVRELD 1KW3 Chain:B ((1-276)) ---SIERLGYLGFAVKDVPAWDHFLTKSVGLMAAGSAGD-------AALYRAD----QRAWRIAVQP------GELDDLAYAGLEVDDAAALERMADKLRQAGVAFTRGDEALMQQRKVMGLLCLQDPFGLPLEIYYGPAEIFHEPFLPSAPVSGFVTGDQGIGHFVRCVPDTAKAMAFYTEVLGFVLSDIIDIQMGPETSVPAHFLHCNG-RHHTIALAAF------PIPKRIHHFMLQANTIDDVGYAFDRLDAAGRITSLLGRHTNDQTLSFYADTPSPMIEVEFGWGPRTVDSSWTVAR-------------------------------

General information: TITO was launched using: RESULT: Template: 1KW3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1486 -150144 -101.04 -591.12 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -101.04 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.467

(partial model without unconserved sides chains): PDB file : Tito_1KW3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KW3-query.scw PDB file : Tito_Scwrl_1KW3.pdb: