Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSFATQQNGIFKSVCSLDCPDQCGLLIHKKDGKIVKVQGD------PDHPVTAGNICNKVRNMTERIYDEKRLTTPLKRTGAKGQAIFEPISWKEAIDTITSRWKQLIDEEGAESILPYSFYGNM-GKLTAEGMDRRFFYRMGSSQLE--RTICSKAGSEGYKYTMG-ISAGIDPEETVHTKLFIFWGINAVSTNMHQITIAQKARKKGAKIVVIDVHKNQTGRLADWFIPIKPGTDSALALGIMHILFKENLHDEAFLSEYTVG-------------------------------------------------------------------------------------------------YEELREHV-KQYDPEKVSTITGVSTEDIYRLAKMYGETSPSFIRIGNGPQHHDNGGMIVRTIACLPAITGQWLHTGGGAIKHNSGIL-E---YNTNALQRPDLLKG-R-----TPR-SF---------------N-M-NQLG-RVL---LETDPPIRSLFIYGTNPAVVAPEANKVRQGLL-REDLFTVVHDLFLTETAAYADIVLPATSAFENTDFYTSYWHHYIQLQQPVIERYGESKSNTEVFRLLAEAMGFTD----QELKDS--------DEVLIRQ----------------ALDHPDNPHLAEIDYDSLTKHSFM----KAKRE---KPL--------FPGELPTPSGKIELYSEKMKQD-GFPALPTYTPLVTDNEHPFMYVPGPNHNFLNSTFS-NNEKHIKLEKT-PKLFINTKDAEKHGIVDGAPVRIWNSRGECELTAAVGEQVLPGVVVSQGLWADEQG-KKQLVNALTPDRLSDM----------------GGGATFFSGRVQIEKV 4YDD Chain:A ((19-891)) -RTQWSWDKKTRGAHLV-NCTGACPHFVYSKDGVVMREEQSKDIAPMPNIPEYNPRGCNKGECGHDYMYGPHRIKYPLIRVGERGEGKWRRATWEEALDMIADKCVDTIKNHAPDCISVYSPVPAVSPVSF--SAGHRFAHYIGAHAHTFYDWYGDHP--TGQTQTCGVQGDTCETADWFNSKYIILWGSNPTQTRIPDAHFLSEAQLNGAKIVSISPDYNSSTIKVDKWIHPQPGTDGALAMAMAHVIIKEKLYDAHSLKEQTDLSYLVRSDTKRFLREADVVAGGSKDKFYFWNAKTGKPVIPKGSWGDQPEKKGSPVGFLGRNTFAFPKGYIDLGDLDPALEGKFNMQLLDGKTVEVRPVFEILKSRLMADNTPEKAAKITGVTAKAITELAREFATAKPSMIICGGGTQHWYYSDVLLRAMHLLTALTGTEGTNGGGMNHYIGQWKPAFVAGLVAL-AFPEGVNKQRFCQTTIWTYIHAEVNDEIISSDIDTEKYLRDSITTGQMPNMPEQGRDPKVFFVYRGNWLNQAKGQKY-VLENLWPKLELIVDINIRMDSTALYSDVVLPSAHWYEKLDLNVTSEHSYINMTEPAIKPMWESKTDWQIFLALAKRVEMAAKRKKYEKFNDEKFKWVRDLSNLWNQMTMDGKLAEDEAAAQYILDNA--PQSKGITIQMLREKPQRFKSNWTSPLKEGVPYTPFQYFVVDKKPWPTLTGRQQFYLDHDTFFDMGVELPTYKAPIDADKYPFRFNSPHSRHSVHSTFKDNVLMLRLQ-RGGPSIEMSPLDAKPLGIKDNDWVEAWNNHGKVICRVKIRNGEQRGRVSMWHCPELYMDLLTGGSQSVCPVRINPTNLVGNYGHLFFRPNYYGPAGSQRDVRVNVKRY

General information: TITO was launched using: RESULT: Template: 4YDD.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 : 3843 93629 24.36 139.95 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 24.36 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_4YDD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YDD-query.scw PDB file : Tito_Scwrl_4YDD.pdb: