Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKKDAKIYVAGHRGMVGSAIVREL-NRQGY--NNIITRTHKELDLCRQDQVEEFFAEEKPDYVFLAAAKVGGIVANQSALADFMYDNMILEMNVIHSAWKNGCKKLQFLGSSCIYPRMAPQPMPESCLLTSELEKTNEAYALAKISGLKYCEFLNK----QYGTDYISVMPTNLYGPNDNYHPTHSHVLPALIRRFHEAKEAGLPTVTCWGDGSPLREFLYVDDFANLCVFLMNNYSGDETV--NAGTGKELSIKELTEIVAKIIGYEGEILWDTSKPNGTPRKLLDVSKATKLGWTYKTELEDGIRLSYEDFLNNPMRAER 4BKP Chain:D ((24-303)) ------RILVTGGSGLVGKAIQKVVADGAGLPGEDWVFVSSKDADLTDTAQTRALFEKVQPTHVIHLAAMVGGLFRNIKYNLDFWRKNVHMNDNVLHSAFEVGARKVVSCLSTCIFPDKTTYPIDETMIHNGPPHNSNFGYSYAK----RMIDVQNRAYFQQYGCTFTAVIPTNVFGPHDNFNIEDGHVLPGLIHKVHLAKSSG-SALTVWGTGNPRRQFIYSLDLAQLFIWVLREYNEVEPIILSVGEEDEVSIKEAAEAVVEAMDFHGEVTFDTTKSDGQFKKTASNSK--------------------------------

General information: TITO was launched using: RESULT: Template: 4BKP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1341 -9339 -6.96 -34.46 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain D : 0.76 3D Compatibility (PKB) : -6.96 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.497

(partial model without unconserved sides chains): PDB file : Tito_4BKP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BKP-query.scw PDB file : Tito_Scwrl_4BKP.pdb: