Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEDFVMKFWQRLFTAFLQRFHLMRFFGRNRSFKELHQSSYAQEISKNLSKRLLNASRAQTNDLLKQFD-THLMGLTEEQAYTQQMTVGLNEVTHEKPLTWWQHLWYCYRNPFNILLSLLALIAFFTD----------DLTGSTIISVMVILSTLLRYWQEAKSNQAADALKAMVSNTATVLRHQVSAEDLELMHERYGIDTKNQTTHQFEISIQYLVPGDVILLSAGDMIPADCRILSA--KDLFVSQAAMTGESMPVEKFPLQKNLEETSALELDNIVFMGTNIVSGSAQAVVLSTGIQTYFGALAHRVTATDRSTTAFQMGVNKVSWLLIRFMLVMAPVVLFINGFT------KG----DWAEAFLFALSVAVGLTPEMLPMIVTSTLAKGAVFLSKKKVIVKRLDAIQNFGAMDVLCTDKTGTLTQDKIFLSQHIDVQGEK---------------------------------S---DFVLMQAFLNSYY---------Q-TGLKNLLDVAVLEAVDDQIKIQ-------------------KLRYKKLDEVPFDFDRRRMSVVVKTPQ-----QKAHMITKGAVEEMLKVCRYVEVNGKVEPLTKQREVAIEALTQRYN--RDGLRVVAVAYREFKNHQE-------NYSVVDESDLILIGYITFLDPPKESAKEAVQSLHAHGVTVKVLTGDNEFVTQKVCREIGLNYDQ------VLLGGVIETLTDQQLKRAVEQYHIFAKLSPVHKERIVEQLKVNGHVVGFLGDGINDAAAIRAADIGISVDTAVDIAKESADLILLEKSLMVLEKGVIEGRRTFANMLKYIKMTASSNFGNVFSVLIASAFIPFLPMLPIHLLIQNLLYDV-SQIVIPFDNVDEE-LIAKPQRWQPEEVGRFMVVFGPISS-IFDMITFGVMW-FVFSA---------------------N-------TPEHQTLFQSGWFVVGLLTQTLIVHMIRTAQIPFIQS--RAATPLLIMTAVIMCIGIFLPMG-PLASYLKLQALPLSYFLYLPLILGAYICVTQWVKKIYIRRYGWQ 3AR4 Chain:A ((4-995)) -----------------------------------------------------AAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALKEYEPEMGKVYR------ADR--------------KSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAMGSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAIGGYVGAATVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMALSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLKALDLTQWLMVLKISLPVIGLDEILKFIARNYLEG-

General information: TITO was launched using: RESULT: Template: 3AR4.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 : 4571 -70813 -15.49 -83.41 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -15.49 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.396

(partial model without unconserved sides chains): PDB file : Tito_3AR4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AR4-query.scw PDB file : Tito_Scwrl_3AR4.pdb: