Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MKSCKQLIVCSLAAILLLIPSVS---FAADSN--ISVKLLNYI-GNKSSISLSPTGFYKVTGDNVAVTDRFAGASRYETATLASNSQWKNPNTVILVNRDIFIDALPVIP---------------------------LAKKLNAPVL---------FTQPDTLTKTTERQIAKFN-PDNILIIGGARSISKDVENKLKSYGAVKRISGKNRYVLSENIAKQMGSY------------DKAIVVTGRVFQDALAIAPYAAAHGYPILLTEKD----KLPDYDLPKQVIIIGSSFSVSDSVENQIKKT--STVQRIPGSTRYELTANIIKQLKLKADKVVMTNGTKYADVLIGASLA--SKKNSQILFVKQDSVPAAAKSITKDKA------TYAYDFIGS-----------TSSISAEVENSLA------------DEFYLADGG------TYNLKINSGKLNLENIKTYGN----SLRIKPENY--STSNRISLD----GKQYLGTVNFSIESTKYIRPVNENIPFEDYLKGVIPNEMPASWSLEALKAQTVA-----ARTYSITKTGTTVPDTTAFQVYGGYSWNSNTNKAVEQTKG------KVLKYNGSLITAAYSSSNGGYTEASNEVW--------------------SSSVPYLIAKKDTKDPQIGWTLTLSKQQLDTKSLDLTKPSSWWSSATETDSARLSGVKNWILKNKETSADSVKIASIDDLSFSGTTQGQRAKTASMKVKYFVKSSTGSYNLSKITTISVPTSELRTMIGATVFKSTYVTVKKDTSKYTISGKGYGHGIGMSQYGAKARAEA----GDSYSSILKFYYPGTTLTSY---------- 4ZUZ Chain:A ((8-864)) DVIKFKEPERCDYLYVDENNKVHILLPIVGGDEIGLDNTCQTAVELITFFYGSAHSGVTKYSAEHQLSEYKRQLEEDIKAINSQKKISPHAYDDLLKEKIERLQQIEKYIELIQVLKKQYDEQNDIRQLRTGGIPQLPSGVKEIIKSSENAFAVRLSPYDNDKFTRFDDPLFNVKRNISKYDTPSRQAPIPIYEGLGYRLRSTL--FPEDKTPTPINKKSLRDKVKSTVLSHYKDEDRIDGEKKDEKLNELITNLQNELVKELVKSDPQYSKLSLSKDPRGKEINYDYLVNSLMLVDNDSEIGDWIDTILDATVDSTVWAVQASSPFYQGAKEISS-DRDADKISIRVQYLLAEANIYCKTNKLSDANFGEFFDKEPHATEIAKRVKEGFTQGADIEPIIYDYINSNHAELGLKSPLTGKQQQEITDKFTKHYNTIKESPHFDEFFVADPDKKGNIFSHQGRISCHFLDFFTRQTKGKHPLGDLASHQEALQEGTSNRLHHKNEVVAQGYEKLDQFKKEVVKLLAE-NKPKELLDYLVATSPTGVPNYSMLSKETQNYIAYNRNWPAIQKELEKATSIPESQKQDLSRLLSRDNLQHDNLSAITWSKYSSKPLLDVELNKIAEGLELTAKIYNEKRGREWWFAGSRNEARKTQCEELQRVSKEINTLLQSESLTKSQVLEKVLNSIETLDKIDRDISAESNWFQSTLQKEVRLFRDQLKDICQLDKYYFKSTKL----DEIISLEMEEQFQKIQDPAVQQIVRDLPSHCHNDEAIEFFKTLNPEEAAKVASYLSLEYREINKSTDKKTLLEQDIPRLFKEVNTQLLSKLKEEKAIDEQVHEKLSQLADKIAPEHFTRNNIIKWST

General information: TITO was launched using: RESULT: Template: 4ZUZ.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 : 3247 194383 59.87 278.88 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 59.87 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.117

(partial model without unconserved sides chains): PDB file : Tito_4ZUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZUZ-query.scw PDB file : Tito_Scwrl_4ZUZ.pdb: