Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKISTYENKKVLVLGLAKSGVS-AAKLLHELGALVTVNDGKPFDENPEAQELLSLGIKVITGSHPIELLDEEFSLMVKNPGIPYSHPLVAKAQEMGIPVITEVELAYEVA-ECPIIGITGTNGKTTTTTMTGLLLNAGADQGI--ARLAGNIGYPASGVAQEAKSEDKIVMELSSFQLMGITDFRPHIAVITNIYEAHIDYHG-TRKEYVKAKWNLQKNMTEKDYLILNWNQSELQELAQRTKARVLPFSTKEVLEDGV---YAD--D--YSIYYKKEKIMEISELGVPGKHNVENALAAISVAKLYGISNEAIRETLHFFHGVPHRTQYVGEIQGRKFYNDSKATNILATKMALSGFETSKVVLLAGGLDRGNTFDELIPSLKGIKAMVVFGQTKEKLMDAGKKAGIETIVTADSVEQAVPLALENSTDGDVVLLSPANASWDQYPNFETRGNRFMEAVNRLK 5VVW Chain:G ((8-312)) --------HRRIHFVGIGGAGMCGIAEVLLNLGYEVSGSDLKASA-VTERLE--KFGAQIFIG-HQAENA-DGADVLVVSSAINRANPEVASALERRIPVVPRAEMLAELMRYRHGIAVAGTHGKTTTTSLIASVFA-AG-GLDPTFVIGGRLNAAGTNAQ--LGASRYLVAEADESDASFL-HLQPMVAVVTNIDADHMATYGGDFNKLKKTFVEFLHNLPFYGLAVMCVDDPVVREILPQIARPTVTYGLSEDADVRAINIRQEGMRTWFTVLRPER-EPLDVSVNMPGLHNVLNSLATIVIATDEGISDEAIVQGLSGFQG---------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5VVW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 1639 20727 12.65 70.74 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain G : 0.65 3D Compatibility (PKB) : 12.65 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.522

(partial model without unconserved sides chains): PDB file : Tito_5VVW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5VVW-query.scw PDB file : Tito_Scwrl_5VVW.pdb: