Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASIAVCPGSFDPVTYGHLDIIKRGAHIFEQVYVCVLNNSSKKPLFSVEERCELLREVTKDIPNITVETSQGLLIDYAKRKNAKAI----LRGLRAVSDFEYEMQGTSVNRVLDESIETFFMMTNNQYSFLSSSIVKEVARYNGSVSEFVPPEVELALQQKFRQG 3NBK Chain:A ((21-177)) -MTGAVCPGSFDPVTLGHVDIFERAAAQFDEVVVAILVNPAKTGMFDLDERIAMVKESTTHLPNLRVQVGHGLVVDFVRSCGMTAIVKGLRTGTD----FEYELQMAQMNKHI-AGVDTFFVATAPRYSFVSSSLAKEVAMLGGDVSELLPEPVNRRLRDRLN--

General information: TITO was launched using: RESULT: Template: 3NBK.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 : 706 -101707 -144.06 -664.75 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -144.06 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_3NBK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NBK-query.scw PDB file : Tito_Scwrl_3NBK.pdb: