Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKAKITAIGTYAPSRRLTNADLEKIVDTSDEWIVQRTGMRERRIADEHQFTSDLCIEAVKNLKSRYKGTLDDVDMILVATTTSDYAFPSTACRVQEYFGWESTGALDINATCAGLTYGLHLANGLITSGLHQKILVIAGETLSKVTDYTDRTTCVLFGDAAGALLVERDEETPGFLASVQGTSGNGGDILYRAGLRNEINGVQL-VGSGKMVQNGREVYKWAARTVPGEFERLLHKAGLSSDDLDWFVPHSANLRMIESICEKTPFPIEKTLTSVEHYGNTSSVSIVLALDLAVKAGKLKKDQIVLLFGFGGGLTYTGLLIKWGM 4X0O Chain:B ((6-325)) ---AEITGWGKCLPPATLSNHDLSTFLDTSDEWIQSRTGIEQRRIS--HVNTSDLATVAAQHAIACAGVSVEEIDLIIVATCSPDSLIPNIASRVQQNLGIPSAAAFDLNAA-TGFLYGLETATRLMQASHYRHALVIGAERLSFYLDWTKRDTAVLFGDGAGAVVLSKTEQKVGLQDAQIGCDAQGRDILAVPKFGTAMDRFDADNGYWAFDFVGKEIFKRAVRGMGAAAQQVLARSGLSTEEIDVVIPHQANIRIIQTLCDLAGIAQDKAFVNIHRYGNTSAATVPIALCEALEQGKIKPHDDLLVAAFGAGLTWGAGHIRWG-

General information: TITO was launched using: RESULT: Template: 4X0O.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2032 -241285 -118.74 -758.76 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -118.74 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_4X0O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4X0O-query.scw PDB file : Tito_Scwrl_4X0O.pdb: