Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQHETPLYTGLKKHASRQPVQFHIPGHKKGAGMDPE-----FRQFIGENALSIDL-INIEPLDDLHAPKGIIKQAQDLAAEAFGADHTFFSVQGTSGAIMTMVMAVCGPGDKIIIPRNVHKSIMTAIVFSGAVPIFIHPEIDNELGISHGITLESAKRA-----LTEHPDAKG---LLVINPTYFGVAADLKSIVELAHSFDVPVL-VDEAHGVHIHFHDELPLSAMQAGADIAAT------SVHKLGGSLTQSSILNMREGLVSKDRVQSILSMLTTTSTSYLLLASLDVARKRL-ATEGRQLAEETLKLANQTRDRLNQI----EGIY-------------CV---------GSEILGSKAAYSYDPTKLII---------SVKSLGLTGHDVEKWLRESFNIEVELSDLYNILCIFTPGDSQNDADRLVEALT---------------------------------EIAQQMSEQDVTHQQTEVL---LPEIPLLAMTPRDAF----YANTEVIPLKEASGRIIAEFVMVYPPGIPIFIPGEIITEENISYIFKNLDAGLPVQGPEDSTLHMIRVIKEQKAIQ 3N75 Chain:A ((131-669)) ------PLTKALFKYVREGKYTFCTPGHMGGTAFQKSPVGSLFYDFFGPNTMKSDISISVSELGSLLDHSGPHKEAEQYIARVFNADRSYMVTNGTSTANKIVGMYSAPAGSTILIDRNCHKSLTHLMMMSDVTPIYFRP-TRNAYGILGGIPQSEFQHATIAKRVKETPNATWPVHAVITNSTYDGLLYNTDFIKK---TLDVKSIHFDSAWVPYTNFSPIYEGKCGMSGGRVEGKVIYETQSTHKLLAAFSQASMIHVK-GDVNEETFNEAYMMHTTTSPHYGIVASTETAAAMMKGNAGKRLINGSIERAIKFRKEIKRLRTESDGWFFDVWQPDHIDTTECWPLRSDSTWHGFKNIDNEHMY-LDPIKVTLLTPGMEKDGTMSDFGIPASIVAKYLDEH-GIVVEKTGPYNLLFLFSIGIDKTKALSLLRALTDFKRAFDLNLRVKNMLPSLYREDPEFYENMRIQELAQNIHKLIVHHNLPDLMYRAFEVLPTMVMTPYAAFQKELHGMTEEVYLDEMVGRINANMILPYPPGVPLVMPGEMITEES-----------------------------------

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 : 2228 -229773 -103.13 -519.85 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -103.13 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.448

(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: