Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDLCFDVSNLFRSSLRVIMQHPTSTDIQRVREFLLDLQARICAGLEQQEKAGGGTAEFIIDDWERPEG-GGGRSRVLQNGTVIEKGGVMFSHINISKLPPSATERHPQI------------------AGAKAQALGVSLVIHPKNPNIPTSHANVRLFVAEREG-QDPIWWFGGGFDLTPFYPDDQDVLNWHQAAYDLCKPFGDNVYAEHKKWCDDYFYLKHGDEQRGVGGLFFDDLNCWDFETCFKYIQAVGNGYLNAILPIFEKHREQPYTEAQREFQLYRRGRYVEYNLVYDRGTLFGLQT-GGRIESILVSLPNLAAWSYRPEWDEDSPEKRLTDYYLKPRDWLGLEEKVA 1TLB Chain:S ((5-326)) --------------------PRNLPIRQQMEALIRRKQAEITQGLESIDT-----VKFHADTWTRGNDGGGGTSMVIQDGTTFEKGGVNVSVVYGQ-LSPAAV-SAMKADHKNLRLPEDPKTGLPVTDGVKFFACGLSMVIHPVNPHAPTTHLNYRYFETWNQDGTPQTWWFGGGADLTPSYLYEEDGQLFHQLHKDALDKHDTALYPRFKKWCDEYFYITHRKETRGIGGIFFDDYDERDPQEILKMVEDCFDAFLPSYLTIVKRRKDMPYTKEEQQWQAIRRGRYVEFNLIYDRGTQFGLRTPGSRVESILMSLPEHASWLYNHHPAPGSREAKLLEVTTKPREWVK------

General information: TITO was launched using: RESULT: Template: 1TLB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 1589 13780 8.67 45.78 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain S : 0.76 3D Compatibility (PKB) : 8.67 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_1TLB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1TLB-query.scw PDB file : Tito_Scwrl_1TLB.pdb: