Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFFKKLKEKITKQTDSVSEKFKDGLEKTRNSFQNKVNDLVSRYRKVDEDFFEEL----EEVLISADVGFTTVMELIDELKK----EVKRRNIQDPKEVQSVISEKLVEIYNSGDEQISELNIQDGRLNVILLVGVNGVGKTTTIGKLAHKMKQEGKSVVLAAGDTFRAGAIEQLEVWGERTGVPVIKQTAGSDPAAVIYDAVHAAKARNADVLICDTAGRLQNKVNLMKELEKVKRVIEREVPEAPHEVLLALDATTGQNAMAQAKEFSKATNVTGIALTKLDGTAKGGIVLAIRNELHIPVKLVGLGEKVDDLQEFDPESYVYGLFSDLVEKADD 3DM5 Chain:B ((17-314)) ----------------------------------------IARASSVDEALIKELVRDIQRALIQADVNVRLVLQLTREIQRRALEEKPPAGISKKEHIIKIVYEELTKFLGT---EAKPIEIKE-KPTILLMVGIQGSGKTTTVAKLARYFQKRGYKVGVVCSDTWRPGAYHQLRQLLDRYHIEVFGNPQEKDAIKLAKEGVDYFKSKGVDIIIVDTAGRHKEDKALIE-MKQISNVIH------PHEVILVIDGTIGQQAYNQALAFKEATPIGSIIVTKLDGSAKGGGALSAVAATGAPIKFIGTGEKIDDIEPFDPPRFVSRLL---------

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 B - contact count / total energy / energy per contact / energy per residue : 1428 -161482 -113.08 -600.30 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -113.08 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.602

(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: