Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGAAFVKKEGLKQKALEIGRVPTHLKLEIEDYGGDDKRAHFCWADPQDENTGIIVELGPDGELESLSRDIEPESGERLSEEKLEDIMRQFVETHHPGALSAFVREENDRAYGDKVRFSYVQMEAGLPLPMSGFMADVSLSGEIVYFRYYGEAGSIIKPKRVADVEEALAFIKKDVEFDLLFEVLHRSVYKNGDDQPHLVYEPEGRAITVPADLVQEEQAVDDDDDYREPESFPLPLFEGIREKADPDSMIGIENGFVKEREADLGDGRIGIVWRNPDDPVYQPADKSMDSWFKGRTHQVLKTIYNKETGKLEGVMSFMEK----KGPLTVTLAECEKIALRFLFALF-PNAD--QYFRIRYD------E-KDEEENAVAGFTFEAHCHGVPLRF--------------GQIRICVSRQTGYITVYMGPDIDPNKLATIDPVPAISVEQAKSIFWQHFK------------VELGWEREYGDDEEHSYRLVYKPVY------------------PHFIDAHTGEPVFSIW 5COZ Chain:A ((139-357)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SKFGTYYSPFNDKDKFRTDKQLMFMSAEEAEELAVKTAKELEINVCEKNELYVLDDKNTLIFPEDDTDKQNDTYVFFMFPDVYGIPYSRCPENEALTGYANQENHLVIAMDE-KG-ISFLDIPPLYDW-VETTETGEILHPSSILSKEVDKLKKYVTSGDIEVSEISLEYMLFADKNETYDIKPVWVVYYYQNQLVTGENSYTQKMALYDVYDAYTGEEYRI--

General information: TITO was launched using: RESULT: Template: 5COZ.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 : 624 -67986 -108.95 -422.27 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -108.95 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_5COZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5COZ-query.scw PDB file : Tito_Scwrl_5COZ.pdb: