Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTRRVELARLRRMAVTALGRYPL--AEGRLIFISH-GENTTFRHIGADGTSHLVRVHRPSRHGRGVDSAAAVDSELAWLRALREDTDLLVPEPLAARDGASAVAVTEAGETRLCSVLRWMDG-RIHEASPRPVHLHRLGAAMASLHDQADAWTPPDGF-TRIHWD--HEAFFGNVMVYGRTPAAECWT---LLPPELRARFREVGARLADLIPGARDSGLIHADLHLGNALFRR--G-AVKLIDFDDCGTGPRSYELAVALWELRGR-----------PDYPAFRQALLSGYRA--RRDIDAT---HLDDFIALRQVAFDLWYTGMAQVNPAFSVRLDGVHQWSLDVLDLVEAG 4WH3 Chain:A ((5-298)) -----------NEVLFGIASHFALEGAVTGIEPYGDGHINTTYLVTTD-GPRYILQQMNTSIFP---DTVNLMRNVELVTSTLKAQ-GKETLDIVPTTSGATWAE----IDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFDASQLTETIAHFHDTPHRFEDFKAALAADK-LGRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREAELLPFSGNL----------------------------------------

General information: TITO was launched using: RESULT: Template: 4WH3.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 : 1098 -43590 -39.70 -164.49 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -39.70 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.255

(partial model without unconserved sides chains): PDB file : Tito_4WH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4wh3-query.scw PDB file : Tito_Scwrl_4WH3.pdb: