Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MMKLLSFLKNKALGSSIDYKILPRKVKFDWKDTPIDWIPNQPFASYFINEINNILPAGEFWFCRLYNKVLPRITDEKLKQDVQAFIRQEAMHANAHTSANKEYLSARNIDIQRNLDIMNYLFTTALADKPFDKEVPQFLQEQWDLFRLGVIA----TVEHMTCVLGKYALYNKRWEELGADPEMVDLVKWHGSEEI---EHRTVA-------------FDLYRHLGGGYIPR------YYLSLAVI----VLVLGLWVDGAAH-IMKQDPRFADAAKSRFFAAWVALE-WYK------ISRKDNQVLPNPI-----WLIAQQIDYLMPWYDPVKEGSTEDAVSYLSQSPAAKRAELQAA-- 4QNU Chain:A ((1-323)) MIDFGNFYSLIAKNHL--SHWLETLPAQIANWQREQQHGLFKQWSNAVEFLPEIKP-----------YRLDLLHSVTAESEEPLSAGQIKRIETLMRNLMPWRKGPFSLYGVNID----------TEWRSDWKWDRVLPHLS----DLTGRTILDVGCGSGYHMWRMIGAGA-----HLAVGIDPTQLFLCQFEAVRKLLGNDQRAHLLPLGIEQLPALKAFDTVFSMGVLYHRRSPLEHLWQLKDQLVNEGELVLETLVIDGDENTVLVPGDRYAQMRNVYFIPSALALKNWLKKCGFVDIRIADVSVTTTEEQRRTEWMVT---ESLADFLDPHDPGKTVEGY------PAPKRAVLIARKP

General information: TITO was launched using: RESULT: Template: 4QNU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1363 -34695 -25.45 -126.16 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -25.45 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.056

(partial model without unconserved sides chains): PDB file : Tito_4QNU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QNU-query.scw PDB file : Tito_Scwrl_4QNU.pdb: