Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------MFVWYN---LFLKKER--EVISMRKWTKGFLIFGVVTTVI---GFILLFVGIQSDGIKSLLSMSKEPVYDS---RTEKLTFGKEVENLEITLHQHTLTITDSFDDQIHI----------------SYHPSLSAHHDLITNQNDRTLSLTDK----KLSETP---FLSSGIGGILHIASSYSSRFEEVILRLPKGRTLKGINISANRGQTTI-INASLENATLNTNSYILRIEGSRIKNSKLTTPNIVNIFDT-----VLTDSQLESTENHFHAENIQVHGKVELTA-KDYLRIILDQKESQRINWDISSNYGSIFQFTREKPESR-GTELSNPYKTEKTDV--KDQLIARSDDNIDLISTPSRR 2VDU Chain:B ((2-436)) SVIHPLQNLLTSRDGSLVFAIIKNCILSFKYQSPNHWEFAGKWSDDFPIYSYIRNLRLTSDESRLIACADSD--KSLLVFDVDKTSKNVLKLRKRFCFSKRPNAISIAEDDTTVIIADKFGDVYSIDINSIPEEKFTQEPILGHVSMLTDVHLIKDSDGHQFIITSDRDEHIKISHYPQCFIVDKWLFGHKHFVSSICCGKDYLLLSAGGDDKIFAWDWKTGKNLSTFDYNSLIKPYLNDQHLAIIEFAVSKIIKSK-NLPFVAFFVEATKCIIILEMSEKQKGDLALKQIITFPYNVISLSAHNDEFQVTLDNKESSGVQ----KNFAKFIEYNLNENSFVVNNEKSNEFDSAIIQSVQGDSNLVTKKEEIYPLYNVSSL

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 : 1742 64530 37.04 206.17 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : 37.04 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.117

(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: