Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFFKKLKEKITKQTDSVSEKFKDGLEKTRNSFQNKVNDLVSR---YRKVDEDFFEELEEVLISADVGFTTVMELIDELKKEVKRRN----IQDPKEVQSVISEKLVEIYNSGDEQISELNIQDGRLNVILLVGVNGVGKTTTIGKLAHKMKQEGKSVVLAAGDTFRAGAIEQLEVWGERTGVPVIKQTAGSDPAAVIYDAVHAAKARNADVLICDTAGRLQNKVNLMKELEKVKRVIEREVPEAPHEVLLALDATTGQNAMAQAKEFSKATNVTGIALTKLDGTAKGGIVLAIRNELHIPVKLVGLGEKVDDLQEFDPESYVYGLFSDLVEKADD 3DM5 Chain:A ((10-315)) --------------------------------LANTLKKIARASSVDEALIKELVRDIQRALIQADVNVRLVLQLTREIQRRALEEKPPAGISKKEHIIKIVYEELTKFLGTEAK---PIEIK-EKPTILLMVGIQGSGKTTTVAKLARYFQKRGYKVGVVCSDTWRPGAYHQLRQLLDRYHIEVFGNPQEKDAIKLAKEGVDYFKSKGVDIIIVDTAGRHKEDKALIEEMKQISNVI------HPHEVILVIDGTIGQQAYNQALAFKEATPIGSIIVTKLDGSAKGGGALSAVAATGAPIKFIGTGEKIDDIEPFDPPRFVSRLLGL-------

General information: TITO was launched using: RESULT: Template: 3DM5.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 : 1520 -174584 -114.86 -623.51 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -114.86 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.577

(partial model without unconserved sides chains): PDB file : Tito_3DM5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DM5-query.scw PDB file : Tito_Scwrl_3DM5.pdb: