Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MKIRGLDQFIQSLDRASRGGLKRKYEQWLESMGFEFLDIIQDEIIRTKTVDTRRLLNSFQKGDQDNIFSMTEGSLKLDVGTNLDYASYVNDGHFTIDPSKNQDRRWVPGRWKGDRFEYDPAEKNSGMLLKFRWVDGSGFWDNAMAIFQLMFERSLERKLQQWIYEEF----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4KBL Chain:A ((101-554)) YRYEVLTAEQILQHMVECIRE---------------------VNEVIQNPATITRILLSHFNWDKEKLMERYFDGNMPCQI-CYLNYPNSYFTGL-------ECGHKFCMQCWS-EYLTTKIMEEGMGQTISC-PAHGCDILVDDNTVMRLITDSKVKLKYQHLITNSFVECNRLLKWCPAPDCHHVVKVQYPDAKPVRCKCGRQFCFNCGENWHDPVKCKWLKKWIKKCIAANTKECPKCHVTIEKDGGCNHMVCRNQNCKAEFCWVCLGPWEPHGSAWYNCNRYNRSRAALQRYLFYCNRYMNHMQSLRFEHKLYAQVKQKMEWIEVQFLKKAVDVLCQCRATLMYTYVFAFYLKKNNQSIIFENNQADLENATEVLSGYLERDISQDSLQDIKQKVQDKYRYCESRRRVLLQHVHEGYEKDLW

General information: TITO was launched using: RESULT: Template: 4KBL.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 : 440 13691 31.12 100.67 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 31.12 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.213

(partial model without unconserved sides chains): PDB file : Tito_4KBL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KBL-query.scw PDB file : Tito_Scwrl_4KBL.pdb: