Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MSKQKKFEENLAELETIVQSLENGEIALEDAITAFQKGMVLSK---ELQATLDKAEKT-----LVKVMQEDGTESDFE--------------------------------------- 2VDU Chain:B ((2-436)) SVIHPLQNLLTSRDGSLVFAIIKNCILSFKYQSPNHWEFAGKWSDDFPIYSYIRNLRLTSDESRLIACADSDKSLLVFDVDKTSKNVLKLRKRFCFSKRPNAISIAEDDTTVIIADKFGDVYSIDINSIPEEKFTQEPILGHVSMLTDVHLIKDSDGHQFIITSDRDEHIKISHYPQCFIVDKWLFGHKHFVSSICCGKDYLLLSAGGDDKIFAWDWKTGKNLSTFDYNSLIKPYLNDQHLAIIEFAVSKIIKSKNLPFVAFFVEATKCIIILEMSEKQK-----------------GDLALKQIITFPYNVISLSAHNDEFQVTLDNKESSGVQKNFAKFIEYNLNENSFVVNNEKSNEFDSAIIQSVQGDSNLVTKKEEIYPLYNVSSL

General information: TITO was launched using: RESULT: Template: 2VDU.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 : 153 5787 37.82 109.19 target 2D structure prediction score : 0.28 Monomeric hydrophicity matching model chain B : 0.54 3D Compatibility (PKB) : 37.82 2D Compatibility (Sec. Struct. Predict.) : 0.28 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.031

(partial model without unconserved sides chains): PDB file : Tito_2VDU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VDU-query.scw PDB file : Tito_Scwrl_2VDU.pdb: