Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MS----TSQGEMRGRLRSNASSTGI--------------LSSNTYAKHTLKCSLK----PEAMELIRCRHLNIQTTHVKAIELVSFNEAKNRL-------ITKKVIGKELFHALWN------PTNLLGRLQGHRLQNPDTLV---HRITEIGTWLRKYHNSSAG--LTPESTDGSWLVTAFAQKIRGIRASKLIPEP----NLKKI-EQKYSTELQKLTTPDYLSFNNAFPCQV----HGDFVLYNV--LVDSQQNMHILDFSKT----RISSNLE---DVARFYST----LWAIAQTNRTRRSLLRELPTRFLKAYGLPPLIAETPYFRANLVYNFLAHLEAQHRGR-KTFS-----------WNTN-REMGQITRAGMK-----WI-YQQI---- 1NY5 Chain:A ((1-384)) MNVLVIEDDKVFRGLLEEYLSMKGIKVESAERGKEAYKLLSEKHFNVVLLDLLLPDVNGLEILKWIKERSPETEVIVITGHG--TIKTAVEAMKMGAYDFLTKPCMLEEIELTINKAIEHRKLRKENELLRREKDLKEEEYVFESPKMKEILEKIKKISCAECPVLITGESGVG---KEVVARLIH--KLSDRSKEPFVALNVASIPRDIFEAELFGYEKGAFTGAVSSKEGFFELADGGTLFLDEIGELSLEAQAK-LLRVIESGKFYRLGGRKEIEVNV-RILAATNRNIKELVKEGKFREDLYYRLGVIEIE---IPPL-RERKEDIIPLANHFLKKFSRKYAKEVEGFTKSAQELLLSYPWYGNVRELKNVIERAVLFSEGKFIDRGELSCLV

General information: TITO was launched using: RESULT: Template: 1NY5.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 : 1306 64158 49.13 214.57 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 49.13 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.327

(partial model without unconserved sides chains): PDB file : Tito_1NY5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ny5-query.scw PDB file : Tito_Scwrl_1NY5.pdb: