Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MPSITKQIMSGAKWTSISTMCITIIQIVQFALLGNMMTLTEFGLVGMITTVTVFAQIVLDMGFGAALIQRDDATERQLSTLYWLNIMTGVLLFVLLYVSSPVIAGFYQREELVFLVRILAI---MFLIAPIGQQYQYMLQKQLHFNTLSKIEIFSNVLSFGYLAIAVFMMDAILAYVISQVLLQSSKGILYWAVYRKKWHPAFVFDLRGMKDFFSFGAFQLSSRLVNRLGANI-DMILIGRF--IGAEALGIYNLAYQIVTI------------PVLKINPI-------VTRVAFPIFAKNKYENSVIREGFLNMTK-MLALVSFPL--------------LIGLVSVSDAFITAVFGEKWLAAVPIL-------NVLAIVG------ILRVLMNPNGS--VLLAKGRADLAFYWDSGVLLL-------YGLSLFAAVQTG-SLLTVAWVYAIISVVNFLIGRWLLAYVIKLNLSAYFQSIMKPFLITAAMGIIAFGVSLSTEHFSMQAEMRLAISVAAGALCYLFLLVKAYPQTKSKLLRKGRLS 4PQG Chain:A ((6-511)) HHHMTIYNINLGIGWAS---SGVEYAQAYRAGVFRKLNLSSKFIFTDMILADN-IQHLTANIGF--------DDNQVIWLYNHFTDIKIAPTSVTVDDVLAYFGGEESHREKNGKVLRVFFFDQDKFVTCYLVDENKDLVQHAEYVF--KGNLIRKDYFSYTRYCSEYFAPKDNVAVLYQRTFYNEDGTPVYDILMNQGKEEVYHF-----KDKIFYGKQAFVRAFMKSLNLNKSDLVILDRETGIGQVVFEEAQTAHLAVVVHAEHYSENATNEDYILWNNYYDYQFTNADKVDFFIVS-TDRQNEVLQEQFAKYTQHQPKIVTIPVGSIDSLTDSSQGRKPFSLITASR--LAKEKHIDWLVKAVIEAHKELPELTFDIYGSGGEDSLLREIIANHQAEDYIQLKGHAELSQIYSQYEVYLTASTSEGFGLTLMEAIGSGLPLIGFDVPY----GNQTFIEDGQNGYLIPSS-SDHVEDQIKQAYAAKICQLYQEN--------RLEAMRAYSYQIAEGFL--TKEILEKWKKTVEEVLHD----

General information: TITO was launched using: RESULT: Template: 4PQG.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 : 2297 -122369 -53.27 -276.85 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -53.27 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.238

(partial model without unconserved sides chains): PDB file : Tito_4PQG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PQG-query.scw PDB file : Tito_Scwrl_4PQG.pdb: