Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------MNQLHRRMGTFSLMMVGLGSMI-----GSGWLFGAWRAAQIAGPAAIISWVIGMVVILFIALSYSELGSMFPEAGGMVKYTQYSHGSFIGFIAGWANWIAIVSVIPVEAVASVQYMSSWPWE--WAKWTSGLVKNGTLTGEGLAFASVLLLIYFLLNYWTVNLFSKANSLIT----IFKIIIPGLTIGALLFVGFHGENFTGGQSIAPNGWASVLTAVATSGIVFAFNGFQSPINMAG----EAKNPGKSIPIAVVGSLFVATVIYVLLQIAFIGAVNPSDIAHGWSHLNFNSPFADLAIALNINW---LVIVLYADAFVSPSGTGITYTATTSRMIYGMEKNKYMPS--IFGKLHPIYGVPRQAMFFNLIVSFIFLFLFRGWGVLA------------EIISVATLISYITG------PITVMT-----------------LRRTGKDLYRPL-------RLKG---------LNVIAPLGFI--FASLVLYWARWPLTGQVLFIILIG---LPIYFYYQAKAKWKGFGRNFKAG------VWMVFYL-LAMMVISYLGSDKFGGLNV---IHYGWDMVLIAMVSLVFYVWALKSGYQTEYLKD-----------AKEINSQLLNGQSEAAAGKE----------------------------------------------------------------------- 3S28 Chain:A ((27-807)) NEVLALLSRVEAKGKGILQQNQIIAEFEALPEQTRKKLEGGPFFDLLKSTQEAIVLPPWVALAVRPRPGVWEYLRVNLHALVVEELQPAEFLHFKEELVDGVKNGNFTLELDFEPFNASIPRPTLHKYIGNGVDFLNRHLSAKLFHDKESLLPLLKFLRLHSHQGKNLMLS--EKIQNLNTLQHTLRKAEEYLAELKSETLYEEFEAKFEEIGLERGWGDNAERVLDMIRLLLDLLEAPDPCTLETFLGRVPMVFNVVILSPH-GYFAQDNVLGYPDTGGQVVYILDQVRALEIEMLQRIKQQGLNIKPRILILTRLLPDAVGTTCGERLERVYDSEYCDILRVPFRTEKGIVRKWISRFEVWPYLETYTEDAAVELSKELNGKPDLIIGNYSDGNLVASLLAHKLGVTQCTIAHALEKTKYPDSDIYWKKLDDKYHFSCQFTADIFAMNHTDFIITSTFQEIAGSKETVGQYESHTAFTLPGLYRVVHGIDVFDPKFNIVSPGADMSIYFPYTEEKRRLTKFHSEIEELLYSDVENKEHLCVLKDKKKPILFTMARLDRVKNLSGLVEWYGKNTRLRELANLVVVGGDRRKESKDNEEKAEMKKMYDLIEEYKLNGQFRWISSQMDRVRNGELYRYICDTKGAFVQPALYEAFGLTVVEAMTCGLPTFATCKGGPAEIIVHGKSGFHIDPYHGDQAADTLADFFTKCKEDPSHWDEISKGGLQRIEEKYTWQIYSQRLLTLTGVYGFWKHVSNLDRLEARRYLEMFYALKYRPLAQAVPLAQD

General information: TITO was launched using: RESULT: Template: 3S28.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 : 2562 -356352 -139.09 -664.83 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -139.09 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.176

(partial model without unconserved sides chains): PDB file : Tito_3S28.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3S28-query.scw PDB file : Tito_Scwrl_3S28.pdb: