Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSIPSVEIDSSDHVAKTTKTTCPYCGVGCGVSVNVQQKPQGPVVQVEGDAEHPSNFGRLCIKGSRLADTLGLETRVLQPMM-------GRKADRVVTTWDAAINKIADKFQSCIDNYGRDSIAFYVSGQLLTEDYYVVNKFVKGYLGTANIDTNSRLCMSSAVAGHKRSFGEDLVPASYEDFEHSDMVVLVGSNTAWCHPVLYQRIMQAKSHNPDMFVVVIDPRFTSTCEQADLHLPILPGQDVALFNGLFQYLYQNGHADQDFVDAYTE----------GLQ----------------------EVLASSEAEANVEYVAKRTGIALDKLQQFFEKFAQ-TEKVITLFSMGVNQSSQGVNKANSIINCHLLTGKIGKLGAAPFSMTGQPNAMG-GREVGGLANMLAAHMDLDNPLHQEVVQTFWDSP--FIATQAGLKAVDLFRAVEAGKIKAIWIMATNPVVSLPDADQVKRA--LEKCELVVVSDICADTDTTAYADILLPALGWGEKDGTVTNSERRISRQRAFLPAPGEAKADWWAMSQ---------------VAKKLGFKGFDFNSAVDIFNEHAALSAQDNADINTREQTDTFRYFNLKGLMS-------------LSTAEYDALQPVQWPVWDKKQ--------DAKAVQQLFGKGQFSHKNAKAKLIATVAINPVHAISEDYPLILNTGRIRDQWHTMNRTGLSPNLTSHRAEPFCEIHPSDALKFGVRDQGLVEVRSKWGSCVLRVTFSSGVRR---GQIFAPIHWTEQVASDARIGKVVNPEVDAISGEPEFKHTPVTIQLFYTTWQGVLYIREGYDSHIQESLHHCAWWTKVKMVKTNRYELADRQTFHDTQKNLKSFLPFADETFEWLSIEDISSQLSHSIILKDGIVIASLYIAPPDLLPDRDWVASMFKRERLSALHRKALLAGMPMSATNNDGPLVCGCFKVGKNKIIEAIKTQNITHEKQVTACLKAGGNCGSCLPEIRGLIKACQQEVEV 2NYA Chain:A ((4-790)) ----------------KWDKAPCRFCGTGCGVLVGTQQ---GRVVACQGDPDAPVNRGLNCIKGYFLPKIMYGKDRLTQPLLRMKNGKYDKEGEFTPITWDQAFDVMEEKFKTALKEKGPESIGMFGSGQWTIWEGYAASKLFKAGFRSNNIDPNARHCMASAVVGFMRTFGMDEPMGCYDDIEQADAFVLWGANMAEMHPILWSRITNRRLSNQNVTVAVLSTYQHRSFELADNGIIFTPQSDLVILNYIANYIIQNNAINQDFFSKHVNLRKGATDIGYGLRPTHPLEKAAKNPGSDASEPMSFEDYKAFVAEYTLEKTAEMTGVPKDQLEQLAQLYADPNKKVISYWTMGFNQHTRGVWANNLVYNLHLLTGKISQPGCGPFSLTGQPSACGTAREVGTFAHRLPADMVVTNEKHRDICEKKWNIPSGTIPAKIGLHAVAQDRALKDGKLNVYWTMCTNNMQAGPNINEERMPGWRDPRNFIIVSDPYPTVSALA-ADLILPTAMWVEKEGAYGNAERRTQFWRQQVQAPGEAKSDLWQLVQFSRRFKTEEVWPEDLLAKKPELRGKTLYEVLYATPEVSKFPVSELAEDQLNDESRELGFYLQKGLFEEYAWFGRGHGHDLAPFDDYHKARGLRWPVVNGKETQWRYSEGNDPYVKAGEGYKFYGKPDGKAVIFALPFEPAAEAPDEEYDLWLSTGRVLEHWHTGSMTRRVPELHRAFPEAVLFIHPLDAKARDLRRGDKVKVVSRRGE-VISIVETRGRNRPPQGLVYMPFFDAAQL-----VNKLTLDATDPLSKETDFKKCAVKLE-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2NYA.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 : 4492 74860 16.67 106.49 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 16.67 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.375

(partial model without unconserved sides chains): PDB file : Tito_2NYA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NYA-query.scw PDB file : Tito_Scwrl_2NYA.pdb: