Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MKKIKWLSGQPKVTSGVTWGMPWKKGELKKGDRLALMNENAE------------TRYVQSEPSAYWPDGSIKWTKHAAVFGGQENQSFTVHKREVPQPTESLSILETEHDIQVDTGALVCTIHKTGSDFIQSLQINGKPIAAGGRLVAIRETRKESAAKMVLLHERSVSFIKRAAIEQSGPVKAVVKIEGVHVLHKTYEEWLPFVIRLTFYAGLSEIGLVHTQLIDRSGK------LEFVKGLGIEFDLFLEGEPYNRHFRFAGEKGMYKEPAQLFGTRKFNERYPLYEKQINGEMLSPDEEHKEWF------------------------AHGTQNAVWDDVKIVQDSSDH---YSLSKRTGKDYAWVGMLHGSRAKGLCYAGGKNGGVALGLRYFFEKYPSALEITGLAGSRPKMTIWLWPPDGEAMDLRHYTGNTHVASAYEGFDEMRSDPTGIANTNEISLACFSHMPSDEVLNALADKWQAPPLIVCEPDVYYESKALGVWSIIDTSHPLKKELEEQ--LDAAFLFYKKEVEQRRWYGFWHYGDVMHTYDPIRHMWRYDLGGYAWQNNELVPTLWLWQAFFRSGREDIFRMAEAMTRHTSETDSFHLGEYAGLGSRHNVVHWGCGCKEARISMAGLHKFYYYLTGDDRTGDLLTEVKDADYALVKTDPMRAFYEKGKHPTHARTGPDWAAF-CSNWLAEWERTENSEYLKKIETGINCLKRL-------PLRLLSGPTFEYDPATSMLHH--MGDGIAGGYHMIIAFGAPQVWMELAELLDDWEWEDMLSEFGEFYTLSDEEKRK-KSGGALHDGHFHWPMFAAGMTAYAARKKQDPHLAAKAWNLLLEDKLSHTPLPIKPERIETWTQLEELPWVTTNTVSQWCLNVIAALEL-IGDSLPAKKETSGKKG 5DZT Chain:A ((4-992)) NLINVLSINERCFLLKQSGNEKYDIKNLQAWKERKSVLKQDDLDYLIKYKYESLDNFGLGITPIENFPDKEVAIQYIKDQSWYIFFESILDSYNDSEEQLLEVDASYPFRYFLQYARLFLLDLNSELNICT-KEFIINLLEILTQELIHLTSKTLVLDLHRFIYYLKKRFNSKKDIIAFYTCYPELMRITVVRMRYFLDNTKQMLIRVTEDLPS-IQNCFNIQSSELNSISESQGDSHSRGKTVSTLTFSDGKKIVYKPKINSENKLRDFFEFLNKEL---EADIYIVKKVTRNTYFYEEYIDNIEINNIEEVKKYYERYGKLIGIAFLFNVTDLHYENIIAHGEYPVIIDNETFFQQNIPIEFGNSATVDAKYKYLDSIMVTGLVPKNTPIMNNEKISFISYEKYIVTGMKSILMKAK---DSKKKILAYINNNLQNLIVRNVIRP---TQRYADMLEFSYHPNCFSNAIEREKVLHNMWAYP-YKNKKVVHYEFSDLIDGDIPIFYNN--ISKTSLIASDGCLVEDFYQESALNRCLNKINDLCDEDISIQTVWLEIALNIYNPYKYIN--DLKNQ--NSNKYIYTGLELNGKIIQACQKIEKKIFKRAIFNKKTNTVNW-IDIKLDQDWNVGILNNNMYDGLPGIFIFYVALKYITKNHKYDYVIECIKNSIYTIPSEDILSAFF--GKGSLIYPLLVDYRLNNDINSLNVAVEIADMDWIHGHNSIIKVLLLLSEITEDEKYRKFSLEIFEKLSEEPYFNFRGFGHGIYSYVHLLSKFNRIDKANSLLHKIKNNSW--CKGTVGELLATDINKTIEYKNKDCLCHG------NAGTLEGLIQLAKKDPETYQYKKNKLISYMLKYFEKN-NTLKVAGSEYLESLGFFVG--ISGVGYELLRNLDSEIPNALLFE--------

General information: TITO was launched using: RESULT: Template: 5DZT.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 : 3816 -265607 -69.60 -325.10 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -69.60 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.143

(partial model without unconserved sides chains): PDB file : Tito_5DZT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DZT-query.scw PDB file : Tito_Scwrl_5DZT.pdb: