Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQHETPLYTGLKKHASRQPVQFHIPGHKKGAGMDPE-----FRQFIGENALSIDL-INIEPLDDLHAPKGIIKQAQDLAAEAFGADHTFFSVQGTSGAIMTMVMAVCGPGDKIIIPRNVHKSIMTAIVFSGAVPIFIHPEIDNELGISHGITLESAKRALTEH--------PDAKGLLVINPTYFGVAADLKSIVELAHSFDVPVLVDEAHGVHIHFHDELP-LSAMQAGA-----DIAATSVHKLGGSLTQSSILNMREGLVSKDRVQSILSMLTTTSTSYLLLASLDVARKRLATE-GRQLAEETLKLANQTRDRLNQIE----G--IYCV-------------GSE-IL-----GSKAAYSYDPTKLIISVKS---------LGLTGHDVEKWLRESFNIEVELSDLYNILCIFTPGDSQNDADRLVEALTEIAQQMSEQDVTHQQT----------------------------E--------VLLPEIPLLAMTPRDAF----YANTEVIPLKEASGRIIAEFVMVYPPGIPIFIPGEIITEE---NISYIFKNLDAGLPVQGPEDSTLHMIRVIKEQKAIQ 3N75 Chain:A ((127-693)) --TILPPLTKALFKYVREGKYTFCTPGHMGGTAFQKSPVGSLFYDFFGPNTMKSDISISVSELGSLLDHSGPHKEAEQYIARVFNADRSYMVTNGTSTANKIVGMYSAPAGSTILIDRNCHKSLTHLMMMSDVTPIYFRPTRNA-YGILGGIPQSEFQHATIAKRVKETPNATWPVHAVITNSTYDGLLYNTDFIKKTLDV--KSIHFDSAWVPYTNFSPIYEGKCGMSGGRVEGKVIYETQSTHKLLAAFSQASMIHVKGDVN-EETFNEAYMMHTTTSPHYGIVASTETAAAMMKGNAGKRLINGSIERAIKFRKEIKRLRTESDGWFFDVWQPDHIDTTECWPLRSDSTWHGFKNIDNEHMYLDPIKVTLLTPGMEKDGTMSDFGIPASIVAKYLDE-HGIVVEKTGPYNLLFLFSIGIDKTKALSLLRALTDFKRAFDLNLRVKNMLPSLYREDPEFYENMRIQELAQNIHKLIVHHNLPDLMYRAFEVLPTMVMTPYAAFQKELHGMTEEVYLDEMVGRINANMILPYPPGVPLVMPGEMITEESRPVLEFLQMLCEIGAHYPGFETDI--------------

General information: TITO was launched using: RESULT: Template: 3N75.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 : 2530 -267124 -105.58 -569.56 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -105.58 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.485

(partial model without unconserved sides chains): PDB file : Tito_3N75.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N75-query.scw PDB file : Tito_Scwrl_3N75.pdb: