Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSIPSVEIDSSDHVAKTTKTTCPYCGVGCGVSVNVQQKPQGPVVQVEGDAEHPSNFGRLCIKGSRLADTLGLETRVLQPMMGRK-------ADRVVTTWDAAINKIADKFQSCIDNYGRDSIAFYVSGQLLTEDYYVVNKFVKGYLGTANIDTNSRLCMSSAVAGHKRSFGEDLVPASYEDFEHSDMVVLVGSNTAWCHPVLYQRIMQAKSHNPDMFVVVIDPRFTSTCEQADLHLPILPGQDVALFNGLFQYLYQNGHADQDFVDAYTE----------GLQ-----------------------EVLASSEAEANVEYVAKRTGIALDKLQQFFEKFAQTE-KVITLFSMGVNQSSQGVNKANSIINCHLLTGKIGKLGAAPFSMTGQPNAMG-GREVGGLANMLAAHMDLDNPLHQEVVQTFWDSP--FIATQAGLKAVDLFRAVEAGKIKAIWIMATNPVVSLPDADQVKRALEKC--ELVVVSDICADTDTTAYADILLPALGWGEKDGTVTNSERRISRQRAFLPAPGEAKADWWAMSQVAKKL---------------GFKG---FDF---NSAVDIFNEHAALSAQDNADINTREQTDTFRYFNLKGLMSLSTA-------------EYDALQPVQWPVWDKKQDAKAVQQLF------GKGQ--FSHKNAKAKLIATVAINPVHAISEDYPLILNTGRIRDQWHTMNRTGLSPNLTSHRAEPFCEIHPSDALKFGVRDQGLVEVRSKWGSCVLRVTFSSGVR--RGQIFAPIHWTEQVASDARIGKVVNPEVDAISGEPEFKHTPVTIQLFYTTWQGVLYIREGYDSHIQESLHHCAWWTKVKMVKTNRYELADRQTFHDTQKNLKSFLPFADETFEWLSIEDISSQLSHSIILKDGIVIASLYIAPPDLLPDRDWVASMFKRERLSALHRKALLAGMPMSATNNDGPLVCGCFKVGKNKIIEAIKTQNITHEKQVTACLKAGGNCGSCLPEIRGLIKACQQEVEV 1OGY Chain:A ((13-800)) ----------------RWSKAPCRFCGTGCGVMVGTRD---GQVVATHGDTQAEVNRGLNCVKGYFLSKIMYGEDRLTTPLLRMKDGVYHKEGEFAPVSWDEAFDVMAAQAKLVLKEKAPEAVGMFGSGQWTIWEGYAASKLMRAGFRSNNLDPNARHCMASAATAFMRTFGMDEPMGCYDDFEAADAFVLWGSNMAEMHPILWSRLTDRRLSHEHVRVAVLSTFTHRSSDLSDTPIIFRPGTDRAILNYIAHHIISTGRVNRDFVDRHTNFALGATDIGYGLRPEHQLQLAAKGAADAGAMTPTDFETFAALVSEYTLEKAAEISGVEPALLEELAELYADPDRKWMSLWTMGFNQHVRGVWANHMVYNLHLLTGKISEPGNSPFSLTGQPFACGTAREVGTFAHRLPADMVVTNPEHRAHAEEIWKLPAGLLPDWVGAHAVEQDRKLHDGEINFYWVQVNNNMQAAPNIDQETYPGYRNPENFIVVSD-AYPTVTGRAADLVLPAAMWVEKEGAYGNAERRTHFWHQLVEAPGEARSDLWQLMEFSKRFTTDEVWPEEILSAAPAYRGKTLFEVLFANGSVDRF------PASDVNPDHANHEAALFGFYPQKGLFEEYAAFGRGHGHDLAPFDTYHEVRGLHWPVVEGEETRWRYREGFDPYVKPGEGLRFYGKPDGRAVILGVPYEPPAESPDEEFGFWLVTGRVLEHWHSGSMTLRWPELYKAFPGAVCFMHPEDARSRGLNRGSEVRVISRRGEIRTRLETRGRNRMPRGVVFVPWFDASQL-----INKVTLDANDPISRQTDFKKCAVKIE-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1OGY.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 : 4549 23555 5.18 33.75 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 5.18 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.389

(partial model without unconserved sides chains): PDB file : Tito_1OGY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1OGY-query.scw PDB file : Tito_Scwrl_1OGY.pdb: