Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKHIVILGAGYGGVLSALTVRKHYTKEQARVTVVNKYPTHQIITELHRLAAGNVSEKAVAMPLEKLFKGKDIDLKIAEVSSFSVDKKEVALA--DG--STLTYDALVVGLGSVTAYFGIPGLEENSMVLKSAADANKVFQHVEDRVREYSKTKNEADATILIGGGGLT-------------------------GVELVGELADIMPNLAKKYGVDHKEIKLKLVEAGPKILPVLPDDLIERATASLEKRGVEFLTGLPVTNVEGNVIDLKDGSKVVANTFVWTGGVQGNPLVGESGLEV-N-RGRATVNDFLQSTSHEDVFVAGDSAVYFGPDGRPYPPTAQIAWQMGELIGYNLFAYLEGK-TLETFKPVNSGTLASLGR-KDAVAIIGANSTPLKGLPASLMKEASNVRYLTHIKGLFSLAY 3H8L Chain:A ((2-357)) --TKVLVLGGRFGALTAAYTLKRLVG-SKADVKVINKSRFSYFRPALPHVAIGVRDVDELKVDLSEALPEKGIQFQEGTVEKIDAKSSMVYYTKPDGSMAEEEYDYVIVGIGAHLATELVKGWDKYGYSVCEPEFATKLREKLESFQ----------GGNIAI-GSGPFYQGHNPKPKVPENFVPNADSACEGPVFEMSLMLHGYFKK----KGM-LDKVHVTVFSPGE-YLSDLSPNSRKAVASIYNQLGIKLVHNFKIKEIREHEIVDEKGNTIPADITILLPPYTGNPALKNSTPDLVDDGGFIPTDLNMVSIKYDNVYAVGDANSMT------VPKLGYLAVMTGRIAAQHLANRLGVPTKVDKYYPTIVCVA-DNPYE------------------------------------------

General information: TITO was launched using: RESULT: Template: 3H8L.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 : 1760 -228111 -129.61 -706.23 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -129.61 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.596

(partial model without unconserved sides chains): PDB file : Tito_3H8L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3H8L-query.scw PDB file : Tito_Scwrl_3H8L.pdb: