Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRARIIYNPTSGREIFKKHLAQVLQK-FEQAGY-ETSTHATTCAGDATHAAKEAALREFDLIIAAGGDGTINEVVNGLAPLDN--RPTLGVIPVGTTNDFARALGIPREDILKAADTVINGVARPID-IGQVNGQYFINI-AGGGRLTELTYDVPSKLKTMLGQLAYY-L-KGMEMLPSLRPTEVEIEYDGKLFQGEIMLFLVTLTNSVGGFEKLAPDSSLNDGMFDLMILKKANLAEFIRVATMALRGEHINDQHIIYTKANRVKVNVSEKMQLNLDGEYGGMLPGEFVNLYRHIHVVMPKEKAEQLDD 2JGR Chain:A ((4-299)) FPASLLILNGKST-----DNLPLREAIMLLREEGMTIHVRVTWEKGDAARYVEEARKFGVATVIAGGGDGTINEVSTALIQCEGDDIPALGILPLGTANDFATSVGIPE-ALDKALKLAIAGDAIAIDMAQV-NKQTCFINMATGG----------------FGTIHGLMRMDT------LQPDRCEIRGENFHWQGDALVIGIGNGRQAGGGQQLCPNALINDGLLQLRIFTG-------------------DNPNIIEGASSWFDIQAPHDITFNLDGEPLSGQNFHIEILPAALRCRLPPD--CPLLR

General information: TITO was launched using: RESULT: Template: 2JGR.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 : 1513 -155901 -103.04 -616.21 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -103.04 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_2JGR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JGR-query.scw PDB file : Tito_Scwrl_2JGR.pdb: