Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKISTYENKKVLVLGLAKSGVSAAKLLHELGALVTVNDGKPFDENPEAQELLSLGIKVITGSHPIELLDEEFSLMVKNPGIPYSHPLVAKAQEMGIPVITEVELAYEVAECPIIGITGTNGKTTTTTMTGLLLNAGADQG-IARL---AGNI----GYPASGVAQEAKSEDKIVMELSSFQLMG----ITDFRPHIAVITNIYEAHIDYHGTRKEYVKAKWNLQKNMTEKDYLILNWNQSELQELAQRT-KARVLPFSTKE-VLEDGVY---A--DD-YSIYYKKEKIMEISELGVPGKHNVENALAAISVAKLYGISNEAIRETLHFFHGVPHRTQYVGEIQGRKFYNDSKATNILATKMALSGFET--SKVVLLAGGLDRGN---TFDELIPSLK-GIKAMVVFGQTKEKLMDAGKKAGIETIVTADSVEQAVPLALENSTDGDVVLLSPANASWDQYPNFETRGNRFMEAVNRLK 4CVM Chain:A ((101-441)) --------------------------------------------------------------------------------------------------------------TGPLAAMTGSSGKTTVKEMLASILR-TQ-AGDAESVLATRGNLNNDLGVPLTL-LQLAPQHRSAVIELGASRIGEIAYTVELTRPHVAIITNAGTAHV---GGPEKIVEAKGEILEGLAADGTAVLNLDDKAFDTWKARASGRPLLTFSLDRPQADFRAADLQRDARGCMGFRLQGVAGEAQVQLNLLGRHNVANALAAAAAAHALGVPLDGIVAGLQALQPVKGRAVAQLTASGLRVIDDSYNANPASMLAAIDILSGFSGRTVLVLGDMG---AEQAHREVGAYAAGKVSALYAVGPLMAHAVQAFGA----TGRHFADQASLIGALAT-EDPTTTILIKGSRSA----------------------

General information: TITO was launched using: RESULT: Template: 4CVM.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 : 1724 28332 16.43 92.29 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 16.43 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_4CVM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CVM-query.scw PDB file : Tito_Scwrl_4CVM.pdb: