Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKATQSKAWTTVQIARHPERPQ-FLDYVGEIFTE--FDALHGDRLFGDDGAMVGGLARFDGQPVMVIGQHRGRSTREKLKHNFGMCNPEGYRKSQRLLDMAERFNLPVFTFIDTMGAYPGVGAEERGQAEAIATSLAQLSSLKVPVIATVLGEGGSGGALGIG----VADRVIMLSHSIYSVISPEGCASILWKTAEK-A----------------AQASE-A-LGLTADKLQSLGIVEYVVDEGEGAHLDPERVMQNLKVVLKQALDELLPMDANERCEARYQRLMKFGSENLGMAS 3U9S Chain:B ((309-544)) ---------LYGVIPAD-SKQPYDVREVIARLVDGSEFDEFKAL--FG--TTLVCGFAHLHGYPIAILANNG-------------ILFAEAAQKGAHFIELACQRGIPLLFLQNITGFMVGQKYEAGGIAKHGAKLVTAVACARVPKFTVLIGGSFGAGNYGMCGRAYDPRFLWMWPNARIGVMGGEQAAGVLAQVKREQAERAGQQLGVEEEAKIKAPILEQYEHQGHPYYSSARLWDDGVID-P-----------AQTREVLALALSAALNAP------------------------

General information: TITO was launched using: RESULT: Template: 3U9S.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 975 -47750 -48.97 -227.38 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -48.97 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_3U9S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U9S-query.scw PDB file : Tito_Scwrl_3U9S.pdb: