Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMDLFLNRKSFVVKSLAITVTALMMSGANAATSDKEEIRKLRQEVEALKALVQEQRQVQQQQQQVQQQQQVQLAEVKAQPQPAAAPASPLASLKSKTGADVNLYGFVRGDANYIIEGADNDFADVSKSNGKTQDKLRATAKTTRLGLDFTAPVSGAKVGGKIELDFASSDNDKSENVRIRHAYLTYN-----NWLFGQTTSNFLS-SH-APEMIDFS-TNI-------GGGTTRIPQVRYNYKLAPATQLFVSAEEGNSSATGDSVKYRLPVLTAKVTQGYAD---GNGNASARAFVENYKS-----------------------------------------GAGDDKTGWGIAAGTDFKVSDPLKLFADASYVVGNSNYLYGSNSAYTLVNDNIEQNEFVAVQVGGTYKIL-----------------P------NLRSTLAYGAQFADDGTDYAKN--NVTANEKVQQAWINFIYTPVKPIDLGVEYVNGKRDTFEG--KSYKDNRVGLMAKYSF 4RJW Chain:A ((34-429)) ------------------------------------------------------------------------------------------EVATTDKEFSFKLGGRLQADYSRFDGFYTK----------NGNTADAAYFRRAFIELGGTA---YKDWKYQINFDLSHNTG-SSDNGYFDEASVTYTGFNPVNLKFGRFDPDFGLEKATSSKWVTAPERNAAYELADWINTHQDGMGAQVNSTLADMAYLSAGVSAKDADD---SDGDSVKQFNFRGVFAPMHEAGNVLHVGVNYAYRDLDDTAFDSRIRPRLGMRGIATSGGNDAGDNGNRATFGGVSNSPAGSYKDDSVWGLEGAW--AMG-PFSAQAEYLARKLKADDN------------AYKDIKAKGYYAQLAYTLTGESRQYKLEGAKFDSVKPENKEIGAWEVFYRYDNIKVEDDNVVADTATREVGDTKAKAHNLGVNWYVNDAVKISAAYVKAKTDKITNNNGDDDGDGFVTRLQYVF

General information: TITO was launched using: RESULT: Template: 4RJW.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 : 1745 96789 55.47 312.22 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 55.47 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.033

(partial model without unconserved sides chains): PDB file : Tito_4RJW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RJW-query.scw PDB file : Tito_Scwrl_4RJW.pdb: