Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDNFDLEHIWHPYTSM-TQPLPTFKVKRAYGATIEL-DDGRTL--IDGMSSWWCAIHGYNHPELNQAVTDQLQNMSHIMFGGLTHDPAIELGKILLKITPPSVDKIFYADSGSVAVEVALKMAVQFWTAQGQPQKTNFITTRSGYHGDTWNAMSVCDPVTGMHQIFGTSLPNRLFVAAPQTKFHEEWNQEDIAELEQAIQQNHENLAALIIEPIVQGAGGMRFYHPEYLRQAKALCEKYHLLLIFDEIATGFGRTGKLFAWEHAQVEPDIMCLGKGLTGGYMTLSATLTTKHVAETISRGEAGVFMHGPTFMANPLACAVALKSTQLLIEQDWQANVKRIEQQLSQYLMPLNQLDYVADVRVLGAIGVVELTFNVDMKTLQQQFVERGIWIRPFGKLVYVMPPYVITQQELSDLLEQLVEVVKTMQGAH 4MQR Chain:A ((37-451)) -----DGAHLWHPYSSIGREAVSPVVAVAAHGAWLTLIRDGQPIEVLDAMSSWWTAIHGHGHPALDQALTTQLRVMNHVMFGGLTHEPAARLAKLLVDITPAGLDTVFFSDSGSVSVEVAAKMALQYWRGRGLPGKRRLMTWRGGYHGDTFLAMSICDPHGGMHSLWTDVLAAQVF--APQVP--RDYDPAYSAAFEAQLAQHAGELAAVVVEPVVQGAGGMRFHDPRYLHDLRDICRRYEVLLIFDEIATGFGRTGALFAADHAGVSPDIMCVGKALTGGYLSLAATLCTADVAHTISAGAAGALMHGPTFMANPLACAVSVASVELLLGQDWRTRITELAAGLTAGLDTARALPAVTDVRVCGAIGVIECDRPVDLAVATPAALDRGVWLRPFRNLVYAMPPYICTPAEITQITSAMVEVAR------

General information: TITO was launched using: RESULT: Template: 4MQR.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 : 2313 -146496 -63.34 -356.44 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -63.34 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.598

(partial model without unconserved sides chains): PDB file : Tito_4MQR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MQR-query.scw PDB file : Tito_Scwrl_4MQR.pdb: