Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEYGFKDDSLSLHTDLYQINMAETYWRDGIHEKKAIFELFFRRLPFENGYAVFAGLEKAIEYLENFKFTDSDLSYLQD-ELGYHEDFIEYLRGLSFTGSLYSMKEGELVFNNEPI----------MRVEAPLVEAQLIETALLNIVNYQTL--------------IATKAARIKGVIGDEVALEFGTRRAHEMDAA------MW----GARAALIGGFSATSNVRAGKRFNIPVSGTHAHALVQAYRD--------EYTAFKKYAETH-K--DCVFLVDTYDTLRSGMPNAIRVAKEFGDRINFIGIRLDSGDLAYLSKKARKMLDE-AGFTD--AKVIASSDLDEHTIMNLKAQ---GARIDVWGVGTKLITAYD--------QPALGAVYKLVAIEEDGKMVDTIKISSNPEKVTTPGRKKVYRIINQSNHHSEGDYIALYDEQVNDQKRLRMFHPVHTFISKFVTNFYAKDLHELIFEKGILCYQNPEISDIQQYVQDNLSLLWEEYKRISKPEEYPVDLSEDCWSNKMQRIHEVKSRIEEELEEE 1VLP Chain:A ((17-412)) -------VIKSLLDTDMYKITMHAAVFTNFP-DVTVTYKYTNRSSQLTFNKEAINWLKEQFSYLGNLRFTEEEIEYLKQEIPYLPSAYIKYISS----SNYKLHPEEQISFTSEEIEGKPTHYKLKILVSGSWKDTILYEIPLLSLISEAYFKFVDIDWDYENQLEQAEKKAETLFDN-GIRFSEFGTRRRRSLKAQDLIMQGIMKAVNGNPDRNKSLLLGTSNILFAKKYGVKPIGTVAHEWVMGVASISEDYLHANKNAMDCWINTFGAKNAGLALTDTFGTDD-FLKSFRPP-----YSDAYVGVRQDSGDPVEYTKKISHHYHDVLKLPKFSKIICYSDSLNVEKAITYSHAAKENGMLATFGIGTNFTNDFRKKSEPQVKSEPLNIVIKLLEVNG----NHAIKISDNLGKNMG-----------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1VLP.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 : 1584 19394 12.24 57.72 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 12.24 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_1VLP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VLP-query.scw PDB file : Tito_Scwrl_1VLP.pdb: