Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSTLRKDLIELFSQAGNEFISGQKISDALGCSRTAVWKHIEELRKEGYEVEAVRRKGYRLIKKPGKLSESEIRFGLKTEVMGQHLIYHDVLSSTQKTAHELANNNAPEGTLVVADKQTAGRGRMSRVWHSQEGNGVWMSLILRPDIPLQKTPQLTLLAAVAVVQGIEEAAGIQTDIKWPNDILINGKKTVGILTEMQAEEDRVRSVIIGIGINVNQQPNDFPDELKDIATSLSQAAGEKIDRAGVIQHILLCFEKRYRDYMTHGFTPIKLLWESYALGIGTNMRARTLNGTFYGKALGIDDEGVLLLETNEGIKKIYSADIELG 3EFR Chain:B ((1-230)) ---------------------------------------------------------------------------------MFKNLIWLKEVDSTQERLKEW---NVSYGTALVADRQTKGRGGLGRKWLSQEG-GLYFSFLLNPK-EFENLLQLPLVLGLSVSEALEEITEIPFSLKWPNDVYFQEKKVSGVLRELSKDK-----LIVGIGINVNQR--EIPEEIKDRATTLYEITGKDWDRKEVLLKVLKRISENLKKFKEKSFKEFKGKIESKMLYLGEEVKLLG-EGKITGKLVGLSEKGGALILTEEGIKEILSGEFSL-

General information: TITO was launched using: RESULT: Template: 3EFR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1253 -126577 -101.02 -550.33 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -101.02 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_3EFR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3EFR-query.scw PDB file : Tito_Scwrl_3EFR.pdb: