Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MISFIFAMDANRLIGKDNDLPWHLPNDLAYFKKITSG----------HSIIMGRKTFESIG---RPLPNRKNIVVTSAPDSE-FQGCTVVSSLKDVLD--IC-------SGPEECFVIGGAQLYTDLFP--YADRLYMTKIHHEFEGDRHFPEFD-ESNWKLVSSEQ------GT--------KDEKNPYDYEFLMYEKKNSSKAGGF 3NZB Chain:X ((6-205)) SLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNESLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKEWSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRD--------

General information: TITO was launched using: RESULT: Template: 3NZB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 701 4574 6.52 28.58 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain X : 0.73 3D Compatibility (PKB) : 6.52 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.560

(partial model without unconserved sides chains): PDB file : Tito_3NZB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NZB-query.scw PDB file : Tito_Scwrl_3NZB.pdb: