Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKILFAVSECTPFVKSGGLADVAGALPKALARLGNEVAVMLPKYSQIPEPWKKRMKKQAECTVAVGWRQQYCGIEHMAE-----NDVNYYFIDNEYYFNR-------DSLYGHYDDGERFAFFSRAVLEAAKVVNV--QADIVHTHDWHTAMVNYLLKEEYRKHPFYERMKSVLTIHNLQFQGIFPPDVTHDLLGLEMDHFHYERLECNGFVNFMKAGIIAADHVTTVSPTYRNEIMTPYYGEQLEQVLQ--YREDDVTGILNGIDDTFYQPKSDPYIEAQYDSGDLACKLENKTKLQQRMGLPEKNDIPLISMVTRLTKQKGLDLVRRIMHELLEEQDIQLVVLGTGEREFEDYFRYAEFAFHEKCRAYIGFDEPLAHQIYAGSDMFLMPSKFEPCGLGQLIALQYGAIPIVRETGGLYDTVRAYQEE---EGTGNGFTFSAFNAHDLKFTIERALSFYCQQDVWKSIVKTAMNADYSWGKSAKEYQRIFEQVTRSGRDVLE 3CX4 Chain:A ((1-473)) MQVLHVCSEMFPLLKTGGLADVIGALPAAQIADGVDARVLLPAFPDI-----RRGVTDAQV---VSRRDTFAG--HITLLFGHYNGVGIYLIDAPHLYDRPGSPYHDTNLFAYTDNVLRFALLGWVGAEMASGLDPFWRPDVVHAHDWHAGLAPAYLAARGRP------AKSVFTVHNLAYQGMFYAHHMNDI-QLPWSFFNIHGLEFNGQISFLKAGLYYADHITAVSPTYAREITEPQFAYGMEGLLQQRHREGRLSGVLNGVDEKIWSPETDLLLASRYTRDTLEDKAENKRQLQIAMGLKVDDKVPLFAVVSRLTSQKGLDLVLEALPGLLE-QGGQLALLGAGDPVLQEGFLAAAAEYPGQVGVQIGYHEAFSHRIMGGADVILVPSRFAPCGLTQLYGLKYGTLPLVRRTGGLADTVSDCSLENLADGVASGFVFEDSNAWSLLRAIRRAFVLWSRPSLWRFVQRQAMAMDFSWQVAAKSYRELY------------

General information: TITO was launched using: RESULT: Template: 3CX4.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 : 2749 -75952 -27.63 -167.29 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -27.63 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.444

(partial model without unconserved sides chains): PDB file : Tito_3CX4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CX4-query.scw PDB file : Tito_Scwrl_3CX4.pdb: