Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRRHSAPLALLQRATSFYDEQRKSNRDKEY-PMDSLKQLLQEQYQLQAQTISPQKGGWA-ALAYRVETKKHTYFLKMYEKSRTSTPKWTALIDEYVPALIWLNEQNDLNGKVPVPILTKNGQCKCENDKGIFLLYEHIEGETIGPQQLTNDQVEQLATIIAALHAIGEETAPIATAQLK---EDFSLPFAVSLYKLLTEQLATLPDDIQTTIAPFSQPLLSLIESTEKRANTLKQRPLRYALCHTDLHHWNLMTSQGELVLIDWEGLKLAPVEADMMFV-VDECYNNAFMDHYRKRHLDYVIDQECLAFYQGRRKLEDIWEFLEQLLFDEQKPTERAAILEGLEKELEAVAKACL 3JR1 Chain:A ((14-309)) -------------------------NLYFQGMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSYRSM------FRAEADQLALLAKTNSI--NVPLVYGIG------NSQGHSFLLLEALN-----KSKNKQSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHNPKP---SILHGNLWIENCIQVDDKIFVCNP-ACYWGDRECDIAFSSLFEPFPTNFYQRYNEIY----------PLEEGYLERKLIYQLYYLLNFSYRYYNKKQSYVSLTQKLINQILHK--

General information: TITO was launched using: RESULT: Template: 3JR1.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 : 1446 25080 17.34 86.48 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 17.34 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.249

(partial model without unconserved sides chains): PDB file : Tito_3JR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3jr1-query.scw PDB file : Tito_Scwrl_3JR1.pdb: