Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVMTKKDTNISTQQPLWLQGYIDSPEKQNQLYKKTLKILIFSQIFGGAGLGAGITVGALLAQDMIGSENVAGIPTALFTFGSAVAALLIGASSQRFGRRAGLAGGFLIGGLGAIGVIIAALINSVALLFVSLLIYGAGMASNLQVR-YAGTDLANEKQRATAASMALVSTTLGAVVGPNLVN--TMGEFADSIGVPNLAGPFIMSGAAFIIAGIILLIFLRPDPLFVS-TAIANAEKK------D--D---KV----QIGGSLKNP-AIDKKGIMVGAVIMILAQLIM-----TAIMTMTPVHMGHHGHGLSEVGLVIGLHIAAMYLPSPLTGLLVDKFGRTTMAIASGATLLAAGLVAAI--APA--D--SLSLLILALVLLGVGWNF-GLLTGTALIIDSTHPSLRAKTQGTFDVLLALSGAAGGALSGMVVAHSSYTILSISGAVLSLLLIPVVIWYFRRIQEKA 4YB9 Chain:D ((69-439)) --------------------------------------------------------------------LLWSVTVSMFPFGGFLGSLMVGPLVNNLGRKGTLLFNNIFSIVPALLMGFSELAKSFEMIIVARVLVGICAGLSSNVVPMYLGELAPKNWRGALGVVPQLFITIGILVAQIFGLRSLLAN---EEGWP---ILLGLTGIPAVLQLLFL-PFFPESPRYLLIQKKDEAAAKSALRRLAEIEEILEEDRAEKAVGFISVLKLFKMRSLRWQVISIIVLMAGQQLSGVNAIYYYADQIYLSAGVNEDDVQYVTAGTGAVNVLITVCAIFVVELMGRRFLLLLGFSVCFTACCVLTGALALQDVISWMPYVSIACVISYVIGHALGPSPIPALLVTEIFLQSSRPAAYMVAGTVHWLSNFTVGLVFPFIQVGLGA-----------------------------

General information: TITO was launched using: RESULT: Template: 4YB9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1360 -182166 -133.95 -548.69 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain D : 0.64 3D Compatibility (PKB) : -133.95 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.202

(partial model without unconserved sides chains): PDB file : Tito_4YB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YB9-query.scw PDB file : Tito_Scwrl_4YB9.pdb: