Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSIPSVEIDSSDHVAKTTKTTCPYCGVGCGVSVNVQ-QKPQGPVVQVEGDAEHPS-NFGRLCIKGSRLADTLGLETRVLQPMMGRK-----ADRVVTTWDAAINKIADKFQSCIDNYGRDSIAFYVSGQLLTEDYYVVNKFVKGYLGTANIDTNSRLCMSSAVAGHKRSFGEDLVPASYEDFEHSDMVVLVGSNTAWCHPVL-YQRIMQAKSHNPDMFVVVIDPRFTSTCEQADLHLPILPGQDVALFNGLFQYLYQNGHADQDFVDAYTEGLQEVLASSEAEANVEYVAKRTGIALDKLQQFFEKFAQTEKVITLFSMGVNQSSQGVNKANSIINCHLLTGKIGKLGAAPFSMTGQP--------------NAMGGREVGGLANMLAAHMDLDNPLHQEVVQTFWDSPFIATQA--GLKAVDLFRAVE---AGKIKAIWIMATNPVVSLPDADQVKRALEKCELVVVSDICADTDTTAYADILLPALGWGEKDGTVTNSERR--ISRQRAFLPAPGEAKADWWAMSQVAKKLGFK-GFDFNSAVDIFNEHAALSAQDNADINTREQTDTFRYFNLKGLMSLSTAEYDALQP--V---QWPVWDKKQDAKAVQQLFGKGQFSHKNAKAKLIATVA-----------INPVHA------ISEDYPLILNTGRI-RDQWHTMNRTGLSPNLTSHRAEPFCEIHPSDALKFGVRDQGLVEVRSKWGSCVLRVTFSSGVRRGQIFAPIHWTEQVAS--------DA-RIGKVVN--P---EVDAISGEPEFKH-TPVTIQLFYTTWQGVLYIREGYDSHIQESLHHCAWWTKVKMVKTNRYELADRQTFHDTQKNLKSFLPFADETFEWLSIEDISSQLSHSIILKDGIVIASLYIAPPDLLPDRDWVASMFKRERLSALHRKALLAGMPMSATNNDGPLVCGCFKVGKNKIIEAIKTQNITHEKQVTACLKAGGNCGSCLPEIRGLIKACQQEVEV 2E7Z Chain:A ((2-727)) ------------------KHVVCQSCDINCVVEAEVKADG---KIQTKSISEPHPTTPPNSICMKSVNADTIRTHKDRVLYPLKNVGSKRGEQRWERISWDQALDEIAEKLKKIIAKYGPESLGVSQTEINQQSEYGTLRRFMNL-LGSPNWTSAMYMCIGNTAGVHRVTHGS----YSFASFADSNCLLFIGKNLSNHNWVSQFNDLKAALK-R-GCKLIVLDPRRTKVAEMADIWLPLRYGTDAALFLGMINVIINEQLYDKEFVENWCVGFEELKERVQE-YPLDKVAEITGCDAGEIRKAAVMFATESPASIPWAVSTDMQKNSCSAIRAQCILRAIVGSFVN-GAEILGAPHSDLVPISKIQMHEALPEEKKKLQLGT--ETYPFLTYTGMSALEEPSERVYGVKYFHNMGAFMANPTALFTAMATEKPYPVKAFFALASNALMGYANQQNALKGLMNQDLVVCYDQFM-TPTAQLADYVLPGDHWLERPVVQPNWEGIPFGNTSQQVVEPAGEAKDEYYFIRELAVRMGLEEHFPWKDRLELINYRIS----------------------PTGME------WEEYQKQYTYMSKLPD----------YFGPEGVGVATPSGKVELYSSVFEKLGYDPLPYYHEPLQTEISDPELAKEYPLILFAGLREDSNFQSCY--HQPGILRDAEPDPVALLHPKTAQSLGLPSGEWIWVETTHGRLKLLLKHDGAQPEGTIRIPHGRWCPEQEGGPETGFSGAMLHNDAMVLSDDDWNLDPEQGLPNLRGGILAKAYKC---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2E7Z.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 : 4065 -6236 -1.53 -9.48 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -1.53 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.405

(partial model without unconserved sides chains): PDB file : Tito_2E7Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2E7Z-query.scw PDB file : Tito_Scwrl_2E7Z.pdb: