Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHPIVIIGSGMAGYTLAREFRKLNPEQELVMICADDAVNYAKPTLSNAF-AGKKAPEQIPLGDAAKMSAQLNMRIEPFTWVKEILAERHELVLEKDGIISQQPYSKLILAVGANPIRLAIAGDG---SDDIHVVNSLIDYRSFRENLAQRKDKRVVILGAGLIGCEFANDLLHSEYDVTVIDLAPQPLGRLLPSHIASAFQQNLEEAGVKFTLGTTVEKVSKINNGEDY-AVTLANGQTLVADIVLSAIGLQPNISLAQSANIQTSRGVITNSLLETNQADIYAIGDCAEVNGTLLPYVMPI------MQQARALAKTLSGQQTNVHYPAMPVAVKTPAAPLTVLPAPVDVDVNWETEEFDDGMLAKAIDNEGTLRGFVLLGATAGKQRLTLTKLVPDLIPAQA 3LB8 Chain:A ((6-318)) ---VVIVGTGLAGVEVAFGLRASGWEGNIRLVGDATVIPHHLPPLSKAYLAGKATAESLYLRTPDAYAAQ-NIQLLGGTQVTAINRDRQQVIL-SDG--RALDYDRLVLATGGRPRPLPVASGAVGKANNFRYLRTLEDAECIRRQLI--ADNRLVVIGGGYIGLEVAATAIKANMHVTLLDTAARVLERVTAPPVSAFYEHLHREAGVDIRTGTQVCGFEMSTDQQKVTAVLCEDGTRLPADLVIAGIGLIPNCELASAAGLQVDNGIVINEHMQTSDPLIMAVGDCARFHSQLYDRWVRIESVPNALEQARKIAAILCGK----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3LB8.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 : 1634 -65965 -40.37 -218.43 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -40.37 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_3LB8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LB8-query.scw PDB file : Tito_Scwrl_3LB8.pdb: