Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------ECWVELFGPGKVSHGKQTGRWNAPYYFNLDPMRLIYLHENCKVNEKHTVLLPDNVKWDVETGMIS----------------------------------- 5LQJ Chain:A ((3-216)) DTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEINPDCAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGPS

General information: TITO was launched using: RESULT: Template: 5LQJ.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 : 121 359 2.97 5.52 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 2.97 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.105

(partial model without unconserved sides chains): PDB file : Tito_5LQJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LQJ-query.scw PDB file : Tito_Scwrl_5LQJ.pdb: