Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRVTRLLEVKDLAISFKTYGGEVQAIRGVNFHLDKGETLAIVGESGSGKSVTSQAIMKLIPMPPGYFKRGEILFEGKDLVPLSEKEMQ---------NVRGKEIGMIFQDPMTSLNPTMKVGKQITEVLFKHEKISKEAAKKRAVELLELVGIPMPEKRVNQFPHEFSGGMRQRVVIAMALAANPKLLIADEPTTALDVTIQAQILELMKDLQKKIDTSIIFITHDLGVVANVADRVAVMYAGQIVETGTVDEIFYDPRHPYTWGLL-ASMPTLESSGEEELTAIPGTPPDLTNPPKGDAFALRSSYAMKIDFEQEPPMFKVSDTHYVKSWLLHPDAPKVEPPEAVKAKMRKLANTFEKPVLVREVE 1B0U Chain:A ((7-261)) -------LHVIDL---HKRYGGH-EVLKGVSLQARAGDVISIIGSSGSGKSTFLRCI-NFLEKPS----EGAIIVNGQNINLVRDKDGQLKVADKNQLRLLRTRLTMVFQH--FNLWSHMTVLENVMEAPIQVLGLSKHDARERALKYLAKVGID--ERAQGKYPVHLSGGQQQRVSIARALAMEPDVLLFDEPTSALDPELVGEVLRIMQQLAEEGKTMVV-VTHEMGFARHVSSHVIFLHQGKIEEEGDPEQVFGNPQSPRLQQFLKGSLKKLE--------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1B0U.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 : 1245 -138418 -111.18 -564.97 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -111.18 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.463

(partial model without unconserved sides chains): PDB file : Tito_1B0U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1B0U-query.scw PDB file : Tito_Scwrl_1B0U.pdb: