Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MQSERWW----QDSSVTAELFQRPKSFEFIQATRLLRHM-----PANDAALSWCDHFKFETSFNLNFPATEIESLELV--DERVHLTNLIVGLTGIQGTLPYTYTNKIKQAPRQQRAETKEFL----SLFNHKLTSQYVESSITYHLPVRYEIENKNDYLDILHALNGYVR-----SQHQQQDLDEYFAEFSGLMQ--GQNNTVHALKTMLSCIFKHEITIKEFV-------------QESFKLAGDQLTTLGGSQPSLLGINTFCGETIQQIDGKI-----EIQIGPLKHQQ----------------YLRFLPHQELSLKLKKIVETWCSPTLSIDLR------LILDESEIQPVRLTQGQEGGLGQGAFLMSRKPN--THNDETCYSLIGEQI 4X4W Chain:A ((1-409)) MFTMKLQSPEFQSLFTEGLKSLTELFVKE-NHELRIAGGAVRDLLNGVKPQDIDFATTATPTQMKEMFQSAGIRMINGTITARLHEENFEITTLRIDVTTDGAEVEFT-TDWQKDAERRDLTINSMFLGFDGTLFDYFNGYEDLKNKKV-RFVGHAKQRIQEDYLRILRYFRFYGRIVDKPGDHDPETLEAIAENAKGLAGISGERIWVELKKILVGNHVNHLIHLIYDLDVAPYIGLPANASLEEFDKVSKNVDGFSPKPVTLLASLFKVQDDVTKLDLRLKIAKEEKNLGLFIVKNRKDLIKATDSSDPLKPYQDFIIDSDATTRVCELLKYQGEHCLLKEMQQWSIPPFPVSGHDIRKVGISSGKEIGALLQQLREQWKKSGYQMEKDELLSYIKKTL

General information: TITO was launched using: RESULT: Template: 4X4W.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 : 1498 26893 17.95 81.74 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 17.95 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.226

(partial model without unconserved sides chains): PDB file : Tito_4X4W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4X4W-query.scw PDB file : Tito_Scwrl_4X4W.pdb: