Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKDTILDALKAAYKLDADNLIANRFGSGHIHKTYKVESSTQSFILQEFNDTVFKYPERISNNLGYLLDNFDPANIPFVLPLPIPNIDGGLFTELDGGLYRLFPFV-NGVTRDDIDYKEQASKAAEAFAHFVLVFLPTDSNKLQDTIQDFHHLGWRYSQFDAALKAPAIEIDEETREMIAYYETRKDLLEQY-----GIYRNKLPLRATHNDTKINNLIFSEDLKKVNAVIDLDTIMAGFVFYDFGDLARTVACTRDESSLDWGKIKIDMVKYEGLLEGFYTVLAGHVTEEELNSLSFGAEMMTLIMGLRFLTDHLQGNTYYQVDYVEQNLHRSKNQAELLTAFMEKREEIKTLETNLKRKFL 4WH2 Chain:A ((27-354)) ------------------------YGDGHINTTYLVTTDGPRYILQQMNTSIFPDTVNLMRNVELVTSTLK-AQGKETLDI-VPTTSGATWAEIDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFDASQLTETIAHFHDTPHRFEDFKAALAADKLGRAAACQPEIDFYLSHAD---QYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREAELLPFSGNLLTMECGMRFLADYLEGDIYFATKYPEHNLVRTRTQIKLVQEMEQKASETRAIVADI-----

General information: TITO was launched using: RESULT: Template: 4WH2.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 : 1647 5361 3.25 16.65 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 3.25 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_4WH2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4wh2-query.scw PDB file : Tito_Scwrl_4WH2.pdb: