Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLTQMPSEFQKALPVLEKIKEAGFEAYFVGGSVRDALLHSPIHDVDIATSSYPEETKQIFPRTADIGI----EHGTVLVLDGDEEYEVTTFRTEDVYVDYRRPSAVSFVR--SLEEDLKRRDFTVNAFA----LDETGEIVDLFHGLEDLEKQVLRAVGVASERFNEDALRIMRGFRFQASLGFALEPETFKAMKTLTPLLEKISVERTFVEFDKLLLAPFWRRGLASMIESQAYDYLPDMASSQDKLNRLFDLETDFTFESSEQAWAALLWALEIENAQSFLKSWKTSRQFAKQVQDLLIILALRENGELSKRDCYRFDIDLLLQAENLRQAQGKEVNPQAITEKYQSLTIHDKKEIQINGGILIKEYGYQPGPDLGEILTEIEFAIVDGELENNREAIHAYLREKK 4WC1 Chain:B ((7-201)) --------------------KEMGLRAYIVGGVVRDILLGKEVWDVDFVVEGNAIELAKELARRHGVNVHPFPEFGTAHLKIGKLKLEFATARRE----------------PASLKEDLIRRDFTINAMAISVNLEDYGTLIDYFGGLRDLKDKVIRVLHPVS--FIEDPVRILRALRFAGRLNFKLSRSTEKLLKQAVNL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WC1.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 : 701 9202 13.13 60.14 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : 13.13 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_4WC1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WC1-query.scw PDB file : Tito_Scwrl_4WC1.pdb: