Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLHGKRKEIYKYEAPWTVYAMNWSVRPDKRFRLALGSFVEEYNNKVQLVGLDEESSEFICRNTFDHPYPTTKLMWIPDTKGVYPDLLATSGDYLRVWRVGETETRLECLLNNNKNSDFCAPLTSFDWNEVDPYLLGTSSIDTTCTIWGLETGQVLGRVNLVSGHVKTQLIAHDKEVYDIAFSRAGGGRDMFASVGADGSVRMFDLRHLEHSTIIYEDPQH-HPLLRLCWNKQDPNYLATMAMDGMEVVILDVRVPCTPVARLNNHRACVNGIAWAPHSSCHICTAADDHQALIWDIQQM--PRAIED-----PILAYTAEGEINNVQWASTQPD--WI--AICYNNCLEILRV 4XYH Chain:A ((187-406)) -------------------------------------------------------------------------------------------------------------------------------WNFIQEGTLATGTEDTSICVWDIK-GKSLSLEKSIDVAPVSVYHRHTAVVNDLQFHLQHEA--LLTSVSDDCTLQIHDTRLPSSSSASQCVKAHEQPVNGVAFNPFNDYLLATASADHT-VALWDLRRLNQRLHTLEGHEDEVYNVQWSPHDEPILVTSSTDRRVCVWDLSKIGEEQTVEDSEDGAPELMFMHGGHTNRVSDLSWNPNNKWVLASLADDNILQI---

General information: TITO was launched using: RESULT: Template: 4XYH.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 : 1070 -42660 -39.87 -205.10 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -39.87 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.398

(partial model without unconserved sides chains): PDB file : Tito_4XYH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XYH-query.scw PDB file : Tito_Scwrl_4XYH.pdb: