Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDSKLIFFDIDGTIYDHDKNIPESTRKTVAELQRQGHHVFIASGRSPFLVKPILEELG----IHSFISYNGQFVVFEN-Q-VIYKNPLPENAIRRLLKQADEGKHPVVFMAEDTMKATVADH--PHVL--EGIGSLKTDYPETDDLFY-EGKEIFQLLLFCQDEEEKAYA---AF---P-EFDLVRWHELSTDVLPHGGSKAEGIKKVIERLPFDIGDTYAFGDGLNDLQMIEYVGTGVAMGNAVPELKEIADFVTKPVDEDGIAYAVKELGLLK 4DW8 Chain:A ((4-269)) -KYKLIVLDLDGTLTNSKKEISSRNRETLIRIQEQGIRLVLASGRPTYGIVPLANELRMNEFGGFILSYNGGEIINWESKEMMYENVLPNEVVPVLYECARTNHLSILTYDGAE--IVTENSLDPYVQKEAFLNKMAI--RETNDFLTDITLPVAKCLIVGD-AGKLIPVESELCIRLQGKINVFRSEPYFLELVPQGIDKALSLSVLLENIGMTREEVIAIGDGYNDLSMIKFAGMGVAMGNAQEPVKKAADYITLTNDEDGVAEAIERIF---

General information: TITO was launched using: RESULT: Template: 4DW8.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 : 1446 -176153 -121.82 -710.29 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -121.82 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.557

(partial model without unconserved sides chains): PDB file : Tito_4DW8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DW8-query.scw PDB file : Tito_Scwrl_4DW8.pdb: