Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGAAFVKKEGLKQKALEIGRVPTHLKLEIEDYGGDDKRAHFCWADPQDENTGIIVELGPDGELESLSRDIEPESGERLSEEKLEDIMRQFVETHHPGALSAFVREENDRAYGDKVRFSYVQMEAGLPLPMSGFMADVSLSGEIVYFRYYGEAGSIIKPKRVADVEEALAFIKKDVEFDLLFEVLHRSVYKNGDDQPHLVYEPEGRAITVPADLVQEEQAVDDDDDYREPESFPLPLFEGIREKADPDSMIGIENGFVKEREADLGDGRIGIVWRNPDDPVYQPADKSMDSWFKGRTHQVLKTIYNKETGKLEGVMSFMEKKGPLTVTLAECEKIALRFLFALFPNADQYFRIRYDEKDEEENAVAGFTFEAHCHGVPLRF---------GQIRICVSRQTGYITVYMGPDIDPNKLATIDPVPAISVEQAKSIFWQHF--K-------VELGWEREYGDDEE----HSYRLVYKPV-------YPHFIDAHTGEPVFSIW 2O3O Chain:A ((84-252)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ALSKKDIEDDAQALVSSKIQDGE-KYKLWKVD-----KSKKEIIFFQTYEGHYIYQKTDNPSNMIGQVVLHLNG-KNEVVSYDQTTLETFKQ--IQKESLITEMDAVELLYYQNQLKEYSTVKSCKFGYVAQYPLTSTQVLAPVWRITVEYEKEKKTVQEYFTVNALESTILDT--

General information: TITO was launched using: RESULT: Template: 2O3O.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 : 491 -68326 -139.16 -502.40 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -139.16 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.492

(partial model without unconserved sides chains): PDB file : Tito_2O3O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O3O-query.scw PDB file : Tito_Scwrl_2O3O.pdb: