Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQLHRRMGTFSLMMVGLGSMIGSG-WLFGAWRAAQIAGPAAIISWVIGMVVILFIALSYSELGSMFPEAGGMVKYTQYSHGSFIGF-------IAGWANWIAIVSVIPVEAVASVQYMSSWPWEWAKWTSGLVKNGTLTGEGLAFASVLLLIYFLLNYWTVNLFSKANSLITIFKIIIPGLTIGALLFVGFHGENFTGGQSIAP-NGWASVLTAVATSGIVFAFNGFQSPINMAGEAKNPGKSIPIAVVGSLFVATVIYVLLQIAFIGAVNPSDIAHGWSHLNFNSPFADLA-IALNINWLVIVLYADAFVSPSGTGITYTATTSRMIYGMEKNKYMPSIFGKLHPIYGVPRQAMFFNLIVSFIFLF------LFRGWGVLAEIISVATLISYITGPITVMTLRRTGKDLYRPLRLKGLNVIAPLGFIFASLVLYWARWPLTGQVLFIILIGLPIYFYYQAKAKWKGFGRNFKAGVWMVFYLLAMMVISYLGSDKFGGLNVIHYGWDMVLIAMVSLVFYVWALKSGYQTEYLKDAKEINSQLLNGQSEAAAGKE 3NCY Chain:A ((10-388)) -------VGLIPVTLMVSGNIMGSGVFLLPANLAAT--GGIAIYGWLVTIIGALALSMVYAKMSSLDPSPGGSYAYARRCFGPFLGYQTNVLYWLACWIGNIAMV-------VIGVGYLS---YFFPILKDPLVLTLTCVA--------VLWIFVLLNIVGPKMITRVQAVATVLALV-PIVGIAVFGWFWFKGE-----WNVSGMNTFGAIQSTLNVT--LWSFIGVESASVAAGVVKNPKRNVPIATIGGVLIAAVCYVLSTTAIMGMIPNAALRVS------ASPFGDAARMALGDTAGAIVSFCAAAGCLGSLG-GWTLLAGQTAKAAADDGLFPPIFAR------TPVAGLLIVGVLMTIFQFSSMSPNAAKEFGLVSSVSVIFTLVPYLYTCAALLLLGHGHFGKARPLYL------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NCY.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 : 1821 -227339 -124.84 -644.02 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -124.84 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.249

(partial model without unconserved sides chains): PDB file : Tito_3NCY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NCY-query.scw PDB file : Tito_Scwrl_3NCY.pdb: