Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNICLLGATGSIGEQTLDVLRAH---QDQFQLVSMSFGRNIDKAVPMIEVFQPKFVSVGDLDTYHKLKQMSFS---FECQIGLGEEGLIEAAVMEEVDIVVNALLGSVGLIPTLKAIEQKKTIALANKETLVTAGHIVKEHAKKY-DVPLLPVDSEHSAIFQALQGEQA-------------KNIERLIITASGGSFRDKTREELESVTVEDALKHPNWSMGAKITIDSATMMNKGLEVIEAHWLFDIPYEQIDVVLHKESIIHSMVEFHDKSVIAQLGTPDMRVPIQYALTYPDRLPLPDAKRLELWEIGSLHFEKADFDRFRCLQFAFESGKIGGTMPTVLNAANEVAVAAFLAGKIPFLAIEDCIEKALTRHQLLKKPSLADIQEVDKDTRGYVNSILT 3WQQ Chain:B ((79-448)) --NVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIK-TNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLNASNEIANNLFLNNKIKYFDISSIISQVL------------------------------

General information: TITO was launched using: RESULT: Template: 3WQQ.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 : 1991 -247309 -124.21 -706.60 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -124.21 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.475

(partial model without unconserved sides chains): PDB file : Tito_3WQQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WQQ-query.scw PDB file : Tito_Scwrl_3WQQ.pdb: