Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAKRLEQVALATKTAFVFPGQGSQKVGMLAELAEQFSGVGQTFAEASDALGFDLWHIAQSGE--GLDQTENTQPVLLTASI-ALWRLWLDLGGLAPKYLAGHSLGEYSALVAAGSMSLADAVKLVNLRGKLMQNAVPQGEGAMAAILGLADDKVVELCRSVSASGQGSVEAANYNSQGQVVIAGSTASVQQVMALAKEQSAKAIALPVSVPSHCSLMKPAAEKFAEALEQTAIELPTIPVIQNVNAEIATDVAQLRQALTAQLYQSVQWTRTMQSLQDQ-----GIQYIVECGPGTVLSNLAKRLPKIEKAFSIDSKSKMEDALNAVLVAEGKIA 3G87 Chain:A ((4-288)) -----------SMLNTFMFPGQGSQAKGMGGALFDRFADLTAQAD---AVLGYSIRALCVDDPRDELGRTQFTQPALYVVNALTYYAKCE-DSGETPDFLAGHSLGEFNALLAAGCFDFETGLKLVARRAELMSQAR---DGAMAAIVNASREQIERTLDEH---GLVDTAIANDNTPSQLVISGPAHEIARAEALFQHDRVRYLRLNTSGAFHSKFMRPAQQAFAAHLQSFRLADPAIPVISNVSARPYENG-RVSEGLAQQIASPVRWCESIRYLLALAAERGEAIEFTELGHGDVLTRLVHTIR-----------------------------

General information: TITO was launched using: RESULT: Template: 3G87.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 : 1533 -76443 -49.86 -275.97 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -49.86 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_3G87.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3G87-query.scw PDB file : Tito_Scwrl_3G87.pdb: