Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSIPSVEIDSSDHVAKTTKTTCPYCGVGCGVSVNVQ-----------------------------------------QKPQGPV--VQVEGDAEHPSNFGRLCIKGSRLADTLGL------ETRVLQPMMGRKADRVVTTWDAAINKIADKFQSCIDNYGRDSIAFY----VSGQLLTEDYYVVNKFVKGYLGTANIDTNSRLCMSSAVAGHKRSFGEDLVPASYEDFEHSDMVVLVGSNTAWCHPVLY--QRIMQAK--------------SHNPDMFVVVIDPRFTSTCE------QAD--LHLPILPGQDVALFNGLFQYLYQNGHADQDFVDAYTE------------------------GLQEVLASSEAEANVEYVAKRTGIALDKLQQFFEKFAQTE------KVITLFSMGVNQSSQGVNKANSIINCHLLTGKIGKLGAAPFSMTGQPNAMGGREVGGLANMLAAHMDLDNPLHQEVVQTFWDSPFIATQAGLKAVDLFRAVEAGKIKAIWIMATNPVVS------LPDADQ----VKRALEKC-ELVVVSDICADTDTTAYADILLPALGWGEKDGTVTNSERRISRQRAFLPAPGEAKADWWAMSQVAKKLGFK-G-------------FDFNSAVDIFNEHAALSAQDNADINTREQTDTFRYFNLKGLMSLSTAEYDALQ-----PVQWPV-WDKKQDAKAVQQLFGKGQFSHKNAKAKLIATVAI---NPVHA-ISEDYPLILNTGRIRDQWHTMNRTGLSPNLTSHRAEPFCEIHPSDALKFGVRDQGLVEVRSKWGSCVLRVTFSSGVRRGQIFAPIHWTEQVASDARIGKVVNPEVDAISGEPEFKHTPVTIQLFYTTWQGVLYIREGYDSHIQESLHHCAWWTKVKMVKTNRYELADRQTFHDTQKNLKSFLPFADETFEWLSIEDISSQLSHSIILKDGIVIASLYIAPPDLLPDRDWVASMFKRERLSALHRKALLAGMPMSATNNDGPLVCGCFKVGKNKIIEAIKTQNITHEKQVTACLKAGGNCGSCLPEIRGLIKACQQEVEV 4AAY Chain:C ((6-831)) ----HIDRLPIIPADAKKHNVTCHFCIVGCGYHAYTWPINKQGGTDPQNNIFGVDLSEQQQAESDAWYSPSMYNVVKQDG---RDVHVVIKPDHECVVNSGLGSVRGARMAETSFSEARNTQQQRLTDPLVWRYGQMQPTSWDDALDLVARVTAKIVKEKGEDALIVSAFDHGGAGGGYENTWGTGKLYFEAMKVKNIRIHNRPAYNSEVHGT-RDMGVGELNNCYEDAELADTIVAVGTNALETQTNYFLNHWIPNLRGESLGKKKELMPEEPHE-AGRIIIVDPRRTVTVNACEQTAGADNVLHLAINSGTDLALFNALFTYIADKGWVDRDFIDKSTLREGTARPPLYPARGVSEANPGHLSSFEDAVEG-CR-MSIEEAAEITGLDAAQIIKAAEWIGMPKEGGKRRRVMFGYEKGLIWGNDNYRTNGALVNLALATGNIGRPGGGVVRLGGHQEGYVRP-SDAHVGRPAAYVDQLLIGGQGGVHHIWGCD-----------HYKTTLNAHEFKRVYKKRTDMVKDAMSAAPYGDREAMVNAIVDAINQGGLFAVNVDIIP-TKIGEACHVILPAATSGEMNLTSMNGERRMRLTERYMDPPGQSMPDCLIAARLANTMERVLTEMGDVGYAAQFKGFDWQTEEDAFMDGYNKNA-----------------HGGEFVT------YERLSAMGTNGFQEPATGFTDGKIEGTQRLYTDGVFSTDDGKARFMDAPWRGLQAPGKQQQKDSHKYLINNGRANVVWQSAYLDQENDFVMDRFPYPFIEMNPEDMAEAGLKEGDLVEIYNDAGATQAMAYPTPTARRGETFMLFGFPTG-----VQGNVTSAGTNEL-IIPNYKQTWGNIRKISDAPRN---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4AAY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 4249 38866 9.15 56.82 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain C : 0.66 3D Compatibility (PKB) : 9.15 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.391

(partial model without unconserved sides chains): PDB file : Tito_4AAY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AAY-query.scw PDB file : Tito_Scwrl_4AAY.pdb: