Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSYKAEYERWLANANADIVEELRSYSEKDIEDSFYKNLSFGTGGLRGTIGAGTNRMNVHTVGKASQGLADYLNKTCEAPSVVVGYDSRLKSDVFAKTAADIFAANGIQVHLWPQLLPVSTVSFATRYLKADAGVMITASHNPSKYNGYKVYGTDGCQITTEAAAATLAEIEKLDVFADVKTGGDAAKIETIQPEVLTAFIEEVKGQSVLFGEEMDKNVAIVYSPLNGTGLVPVTRTLAEMGYSNVTVVEEQRLPDGNFPTCPYPNPEIKEAMSLGIEYAKKYNADLLLATDPDCDRVGIAVKNAEGDYVLLSGNETGLLLLDYICSQRTKHGKMPADPVMVKTIVTIDLGERIASNYGVRTIDVLTGFKFIGEQIGMLEKAGKAGSYIFGFEESYGYLSGSYVRDKDGVNGAHLICEMFSYYKNQGISLLDKLNEIYTKYGYCLNTLHSFEFDGAAGFTKMQEIMIEFHKGLDIIGGKKVVETLDYSKGLNGLPKSDVLKFMLEDNCSVVVRPSGTEPKLKTYISISAESKEAAEAMEAVIAAELAEMFM------ 1K2Y Chain:X ((5-463)) ------------------------------KAPTLPASIFRAYDIRGVVG---DTLTAETAYWIGRAIGSESLAR-GEPCVAVGRDGRLSGPELVKQLIQGLVDCGCQVSDVG-MVPTPVLYYAANVLEGKSGVMLTGAHNPPDYNGFKIVV-AGETLANEQIQALRERIEKNDLASGVG--------SVEQVDILPRYFKQIRDDI-----AMAKPMKVVVDCGNGVAGVIAPQLIEALG---CSVIPLYCEVDGNFPN-HHPDPGKPENLKDLIAKVKAENADLGLAFDGDGDRVGVVTNTGT----IIYPDRLLMLFAKDVVSRN------PGADIIFDVKCTRRLIALISGY-GGRPVMWKTGHSLIKKKMKET------GALLAGEMSGHVFFKERWFGFDDGIYSAARLLEILSQDQRDSEHVFSAFPSDIS------TPEINITVTEDSKFAIIEALQRDAQWGEGNIT------------------TLDGVRVDYPKG-WGLVRASNTTPVLV--LRFEADTEEELERIKTVFRNQLKAVDSSLPVPF

General information: TITO was launched using: RESULT: Template: 1K2Y.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 2807 -227432 -81.02 -502.06 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain X : 0.69 3D Compatibility (PKB) : -81.02 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_1K2Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1K2Y-query.scw PDB file : Tito_Scwrl_1K2Y.pdb: