Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIYEKYRDLITNPFDI--KYKNIEIKEIISYPPAGNDVVECLCKIGKDARNVFIKIERSK-VCDFATEIKNLNYLKNNSYYSKIPNIYESGIYNNKQYIVLSKIEGERLSDILIKNDNLRKELLYKYGQELAIIHRIPIS-NQKI------A-------KQRAINSYPNKT----MYTTLSKE-----NNIKEYIKFLEDNDF-KKELTTFIHGDFHYANVLWLNNDINGVIDWEYSGIGLREQDIAWACTLRPGQKFMDTMEDIQTFLKGYSEKEKFD----I--EKLRWCLINSYCHFY-LMNENNEDYKNKLLILLRNCMEEKI 3JR1 Chain:A ((20-308)) ---MWKSISQVLAEQFGAYYFIK--HKEKL-----YSGEMNEIWLINDE-VQTVFVKINERSYRSMFRAEADQLALLAKT-NSINVPLVYGIGNSQGHSFLLLEALNKSKNK----------QSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAK-FFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQVDDKIF-VCNP-ACYWGDRECDIAF-SS-----LFE---PFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRYYNKK---QSYVSLTQKLINQILH---

General information: TITO was launched using: RESULT: Template: 3JR1.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 : 1202 13163 10.95 51.62 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 10.95 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.365

(partial model without unconserved sides chains): PDB file : Tito_3JR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3jr1-query.scw PDB file : Tito_Scwrl_3JR1.pdb: