Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQVDTLDTQKLAEYLEQHIDGF---KGPIEADKFEGGQSNPTFKITAASG--------AYVLRRQPPGKLLK--SAHAVDREFRVMAALKD-TDVPVPNVLHLCEDRDVIGSMFYVMEFCEGRILWSAGLPEMGEG---EAANAVRGEMYSEMNRVLAAMHSVDLEAVGLTDYGKPGNYFERQLGRWTQQYEASKLQEI---PAMDSLIEWLQANQPEDDG--QVSLVHGDYRLDNMMWHPEKPQVIAVLDWELSTLGHPLADLAYQCMGMRMPQRGAKMAGLQGKDRTALGIPTEKEYVAMYCERRGISQIDNWEFYLAFSFFRLAAICQGVAKRAE-DGNASNKQAAEV-GALVEPLATMAMQIINEGA 3ATS Chain:A ((1-357)) ------TLPAVISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLT---DTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRD--FQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGL----PEVMREDDVRATYQALTG-VELGDLHWFYVYSGVMWACVFMRTGARRVHFGEIEKPDDVESLFYHAGLMKHLLGEEH----

General information: TITO was launched using: RESULT: Template: 3ATS.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 : 1591 -12884 -8.10 -39.28 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -8.10 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.402

(partial model without unconserved sides chains): PDB file : Tito_3ATS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ats-query.scw PDB file : Tito_Scwrl_3ATS.pdb: