Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKDTILDALKAAYKLDADNLIANRFGSGHIHKTYKVESSTQSFILQEFNDTVFKYPERISNNLGYLLDNFDPANIPFVLPLPIPNIDGGLFTELDGGLYRLFPFV-NGVTRDDIDYKEQASKAAEAFAHFVLVFLPTDSNKLQDTIQDFHHLGWRYSQFDAALKAPAIEIDEETREMIAYYETRKDLLEQY-----GIYRNKLPLRATHNDTKINNLIFSEDLKKVNAVIDLDTIMAGFVFYDFGDLARTVACTRDESSLDWGKIKIDMVKYEGLLEGFYTVLAGHVTEEELNSLSFGAEMMTLIMGLRFLTDHLQGNTYYQVDYVEQNLHRSKNQAELLTAFMEKREEIKTLETNLKRKFL 4OCP Chain:A ((47-374)) ------------------------YGDGHINTTYLVTTDGPRYILQQMNTSIFPDTVNLMRNVELVTSTLK-AQGKETLDI-VPTTSGATWAEIDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFDASQLTETIAHFHDTPHRFEDFKAALAADKLGRAAACQPEIDFYLSHAD---QYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREAELLPFSGNLLTMECGMRFLADYLEGDIYFATKYPEHNLVRTRTQIKLVQEMEQKASETRAIVADI-----

General information: TITO was launched using: RESULT: Template: 4OCP.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 -1065 -0.65 -3.31 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -0.65 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_4OCP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ocp-query.scw PDB file : Tito_Scwrl_4OCP.pdb: