Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------MSQPLDKRCSKASFSVVSQIYAKMWKPMFTKFFLLLETKRLYHN---LLINGVQSA-VPRY------------------------------------ 5LQA Chain:A ((1-213)) DTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGP

General information: TITO was launched using: RESULT: Template: 5LQA.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 : 111 9469 85.31 166.12 target 2D structure prediction score : 0.32 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : 85.31 2D Compatibility (Sec. Struct. Predict.) : 0.32 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.333

(partial model without unconserved sides chains): PDB file : Tito_5LQA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LQA-query.scw PDB file : Tito_Scwrl_5LQA.pdb: