Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDDMTKDNINQQTLQRGLKNRHIQLIAIGGAIGTGLFL-GSGKSIHFAGPSILFAYMITGIICFLIMRSLGELLLSNLNYHSFVDFVQDYLGDMAAFITGWTYWFCW-ISIAMADLTAVGLYTQYWLPGVPQWVP-GLIALIILLIMNLATVKLFGELEFWFALIKVIAILALIVIGLVMIFKGFSTSS--GV-S--SFTNLWSHGGLF-PN--GMHGF---ILSF-QMVVFAFVGIELVGLTAGETENPEKVIPKAINNIPVRVLLFYIGALLV---IMSIYPWD---------------IINPSESPFVQVFVAVGIVGAASIINFVVLTSAASACNSAVFSTSRMVYSLAKDHNAPESMAKLTQRKVPRNALFFSAIVILIGVTLNYIMPEGVFTLITSISTVCFIYIWGITVICHMKYRKTRPELAKTNKFKLPLYPFTNYLILAFLAFVLVVLALAQDTRVSLFVTPVWFILLIVIYKVRKAKHQ 3DH4 Chain:A ((50-349)) ------------NKAGKSLPWWAVGASLIAANISAEQFIGMSGSGYS-IGLAIASYEWMSAITLIIVGKYFLPIFIEK-GIYTIPEFVEKRFNKKLKTILAVFWISLYIFVNLTSVLYLGGLALETILG-IPLMYSILGLALFALVYSI------VVWTDVIQVFFLVLGGFMTTYMAVSFIGGTDGWFAGVSKMVDAAPGHFEMILDQSNPQYMNLPGIAVLIGGLWVANLYYWGFNQYIIQRTLAAKSV-SEAQKGIVFAAFLKLIVPFLVVLPGIAAYVITSDPQLMASLGDIAATNLPSAANADKAYPWLT-QFLPVGVKGVVFAALAAAIVSSLASMLNSTATIFT--------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DH4.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 : 854 -110232 -129.08 -422.34 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -129.08 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.014

(partial model without unconserved sides chains): PDB file : Tito_3DH4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DH4-query.scw PDB file : Tito_Scwrl_3DH4.pdb: