Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQQQVKNEFPTLEDIHAAAERLDGLVVKTPFVFSETISKTLGAEMWLKFENLQFTASFKERGALNKLLSLSEQEKQHGVIAASAGNHAQGVAYHAQRTGVTATIVMPKSTPNVKVQRVREYGARVILHGQDFSEAAAEMHRVAQEESLTIIHPFDDAEIIAGQGTIALEMLEAVP-DLDILVVPIGGGGLISGIAIAAKSIN-PKIKIIGVQSVVYPSMAKLLC-NYQLAVSMGSTVAEGIAVKTPGELTTQIAKHFVDDIVVVTEDMIEEAIALLLNIEKTVCEGAGATGIAAIMSRSD-L--------FLGHKVGVVLSGGN-IDTRVMVSVLQRHLTRTGRMVRICVELSDNPGALARLTAIIAEQGGNIYELRHERFAATSRAKESAVSVDIELKSAPDLEPLIQAMQLEGYIVRKEEI 2RKB Chain:D ((4-315)) -------------------------FHVVTPLLESWALSQVAGMPVFLKCENVQPSGSFKIRGIGHFCQEMA-KKGCRHLVCSSGGNAGIAAAYAARKLGIPATIVLPESTSLQVVQRLQGEGAEVQLTGKVWDEANLRAQELAKRDGWENVPPFDHPLIWKGHASLVQELKAVLRTPPGALVLAVGGGGLLAGVVAGLLEVGWQHVPIIAMETHGAHCFNAAITAGKLVTLPDITSVAKSLGAKTVAARALECMQVCKIHSEVVEDTEAVSAVQQLLDDERMLVEPACGAALAAIYSGLLRRLQAEGCLPPSLTSVVVIVCGGNNINSRELQALKTH--------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2RKB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2001 -145550 -72.74 -486.79 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain D : 0.69 3D Compatibility (PKB) : -72.74 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_2RKB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RKB-query.scw PDB file : Tito_Scwrl_2RKB.pdb: