Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDNFDLEHIWHPYTSM-TQPLPTFKVKRAYGATIEL-DDGRTL--IDGMSSWWCAIHGYNHPELNQAVTDQLQNMSHIMFGGLTHDPAIELGKILLKITPPSVDKIFYADSGSVAVEVALKMAVQFWTAQGQPQKTNFITTRSGYHGDTWNAMSVCDPVTGMHQIFGTSLPNRLFVAAPQTKFHEEWNQEDIAELEQAIQQNHENLAALIIEPIVQGAGGMRFYHPEYLRQAKALCEKYHLLLIFDEIATGFGRTGKLFAWEHAQVEPDIMCLGKGLTGGYMTLSATLTTKHVAETISRGEAGVFMHGPTFMANPLACAVALKSTQLLIEQDWQANVKRIEQQLSQYLMPLNQLDYVADVRVLGAIGVVELTFNVDMKTLQQQFVERGIWIRPFGKLVYVMPPYVITQQELSDLLEQLVEVVKTMQGAH 3TFT Chain:A ((37-451)) -----DGAHLWHPYSSIG----SPVVAVAAHGAWLTLIRDGQPIEVLDAMSSWWTAIHGHGHPALDQALTTQLRVMNHVMFGGLTHEPAARLAKLLVDITPAGLDTVFFSDSGSVSVEVAAKMALQYWRGRGLPGKRRLMTWRGGYHGDTFLAMSICDPHGGMHSLWTDVLAAQVF--APQVP--RDYDPAYSAAFEAQLAQHAGELAAVVVEPVVQGAGGMRFHDPRYLHDLRDICRRYEVLLIFDEIATGFGRTGALFAADHAGVSPDIMCVGKALTGGYLSLAATLCTADVAHTISAGAAGALMHGPTFMANPLACAVSVASVELLLGQDWRTRITELAAGLTAGLDTARALPAVTDVRVCGAIGVIECDRPVDLAVATPAALDRGVWLRPFRNLVYAMPPYICTPAEITQITSAMVEVAR------

General information: TITO was launched using: RESULT: Template: 3TFT.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 : 2332 -154256 -66.15 -379.01 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -66.15 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.607

(partial model without unconserved sides chains): PDB file : Tito_3TFT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TFT-query.scw PDB file : Tito_Scwrl_3TFT.pdb: