Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSIPSVEIDSSDHVAKTTKTTCPYCGVGCGVSVNVQQKPQGPVVQVEGDAEHPSNFGRLCIKGSRLADTLGLETRVLQPMMGRK-------ADRVVTTWDAAINKIADKFQSCIDNYGRDSIAFYVSGQLLTEDYYVVNKFVKGYLGTANIDTNSRLCMSSAVAGHKRSFGEDLVPASYEDFEHSDMVVLVGSNTAWCHPVLYQRIMQAKS-HNPDMFVVVIDPRFTSTCEQADLHLPILPGQDVALFNGLFQYLYQNGHADQDFVDAYTE---------------------------------GLQEVLASSEAEANVEYVAKRTGIALDKLQQFFEKFAQTE-KVITLFSMGVNQSSQGVNKANSIINCHLLTGKIGKLGAAPFSMTGQPNAMGG-REVGGLANMLAAHMDLDNPLHQEVVQTFWDSPF--IATQAGLKAVDLFRAVEAGKIKAIWIMATNPVVSLPDADQVK--RALEKCELVVVSDICADTDTTAYADILLPALGWGEKDGTVTNSERRISRQRAFLPAPGEAKADWWAMSQVAKKLGFK-GFDFNS-----------AVDIF-----------NEHAALSAQDNADINTREQTDTFRYFNLKGLMS----------LSTAEYDAL---QPVQWPV-WDKKQ--DAK-AVQQ---LFGK-GQFSHKNAKAKLIATVAINPVHAISEDYPLILNTGRIRDQWHTMNRTGLSPNLTSHRAEPFCEIHPSDALKFGVRDQGLVEVRSKWGSCVLRVTF--SSGVRRGQIFAPIHWTEQVASDARIGKVVNPEVDAISGEPEFKHTPVTIQLFYTTWQGVLYIREGYDSHIQESLHHCAWWTKVKMVKTNRYELADRQTFHDTQKNLKSFLPFADETFEWLSIEDISSQLSHSIILKDGIVIASLYIAPPDLLPDRDWVASMFKRERLSALHRKALLAGMPMSATNNDGPLVCGCFKVGKNKIIEAIKTQNITHEKQVTACLKAGGNCGSCLPEIRGLIKACQQEVEV 2NYA Chain:F ((3-791)) ---------------IKWDKAPCRFCGTGCGVLVGTQQG---RVVACQGDPDAPVNRGLNCIKGYFLPKIMYGKDRLTQPLLRMKNGKYDKEGEFTPITWDQAFDVMEEKFKTALKEKGPESIGMFGSGQWTIWEGYAASKLFKAGFRSNNIDPNARHCMASAVVGFMRTFGMDEPMGCYDDIEQADAFVLWGANMAEMHPILWSRITNRRLSNQ-NVTVAVLSTYQHRSFELADNGIIFTPQSDLVILNYIANYIIQNNAINQDFFSKHVNLRKGATDIGYGLRPTHPLEKAAKNPGSDASEPMSFEDYKAFVAE-YTLEKTAEMTGVPKDQLEQLAQLYADPNKKVISYWTMGFNQHTRGVWANNLVYNLHLLTGKISQPGCGPFSLTGQPSACGTAREVGTFAHRLPADMVVTNEKHRDICEKKWNIPSGTIPAKIGLHAVAQDRALKDGKLNVYWTMCTNNMQAGPNINEERMPGWRDPRNFIIVSDPYP-TVSALAADLILPTAMWVEKEGAYGNAERRTQFWRQQVQAPGEAKSDLWQLVQFSRRFKTEEVWPEDLLAKKPELRGKTLYEVLYATPEVSKFPVSELAEDQLN-DES------R-ELGFYLQKGLFEEYAWFGRGHGHDLAPFDDYHKARGLRWPVVNGKETQWRYSEGNDPYVKAGEGYKFYGKPDGKAVIFALPFEPAAEAPDEEYDLWLSTGRVLEHWHTGSMTRRVPELHRAFPEAVLFIHPLDAKARDLRRGDKVKVVSRRGEVISIVETRGRNRPPQGLVYMPFFDAA-----QLVNKLTLDATDPLSKETDFKKCAVKLEK----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 F - contact count / total energy / energy per contact / energy per residue : 4452 19650 4.41 28.23 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain F : 0.70 3D Compatibility (PKB) : 4.41 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.406

(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: