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

General information: TITO was launched using: RESULT: Template: 4XJO.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 : 2343 -148877 -63.54 -362.23 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -63.54 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.602

(partial model without unconserved sides chains): PDB file : Tito_4XJO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XJO-query.scw PDB file : Tito_Scwrl_4XJO.pdb: