Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MISLESLEENFRFLTLEVANQARATRDILGKPEKELVERLIARDDYIDNLKTIIEN--------------KCFSRIHAEEGAEQSESNRI------------RAIHIICVNLERIADHCVNIVRQIKHFSD--------PTFLHRYEFHSMFNLIQSGLDMILPVQRSQKVAQALTICKIEHELDNQYKE-RFDQIQDEMRAQHNA-----DVGDLITALFIFRYLERIGDALLNV----GEAFIFAFLG----EKIKIHQFQALQETLSQAGYEGSLSEIDFESIWGGRSGCRIRRVKNTNPDPSKEVIFKEGQKEKIQQERDNID-----RWSDLFPGI------------APHVVGYNEGGNYASMLVEFLPGC---------TLDEVVLTTEPEQVRNALFVF------------EQTLVDVWEDTIDPQDHPSPGFIKQLSG---------RLDKIQQV-------------------HPGILTPHKRIGRITIPSLRKR--LEQGTALEQAVQAPFTVL-LHGDCNLNNVVYDFE----EQRIRFIDLYRSRQA----DYIQDVSVFLVSNFRMPIFEPSLRA-----RLNWTIRHFYHFARGFAAKHGDTTFSFRLALGLC-----RSFLTSTRFELDTEFAYEMAERGGYLL-------DRLLEHGSKHQEEFTFPEAVLYY---------------------------------------------------------------------------------------------------------------------------- 4CR2 Chain:Z ((49-993)) LELLVERLKEDDSSLYEASLNALKESIKNSTSSMTAVPKPLKFLRPTYPDLCSIYDKWTDPNLKSSLADVLSILAMTYSENGKHDSLRYRLLSDVSDFEGWGHEYIRHLALEIGEVYNDQVEKDAEDETSSDGSKSDGSAATSGFEFSKEDTLRLCLDIVPYFLKHNGEEDAVDLLLEIESIDKLPQFVDENTFQRVCQYMVACVPLLPPPEDVAFLKTAYSIYLSQNELTDAIALAVRLGEEDMIRSVFDATSDPVMHKQLAYILAAQKTSFEYEGVQDIIGNGKL-SEHFLYLAKELNLTGPKVPEDIYKSHLDNSKSVFSSAGLDSAQQNLASSFVNGFLNLGYCNDKLIVDNDNWVYKTKGDGMTSAVASIGSIYQWNLDGLQQLDKYLYVDEPEVKAGALLGIGISASGVHDGEVEPALLLLQDYVTNPDTKISSAAILGLGIAFAGSKNDEVLGLLLPIAASTDLPIETAAMASLALAHVFVGTCNGDITTSIMDNFLERTAIELKTDWVRFLALALGILYMGQGEQVDDVLETISAIEHPMTSAIEVLVGSCAYTGTGDVLLIQDLLHRLTLAYAVLGIALIALGEDIGKEMSLRHFGHLMH-YGNEHIRRMVPLAMGIVSVSDPQMKVFDTLTRFSHDADLEVSMNSIFAMGLCGAGTNNARLAQLLRQLASYYSREQDALFITRLAQGLLHLGKGTMTMDVFNDAHVLNKVTLASILTTAVGLVSPSFMLKHHQLFYMLNAGIRPKFILALNDEGEPIKVNVRVGQPVLLNHGERAELETDEYISYTSHIEGVVILKKNPDYREEE

General information: TITO was launched using: RESULT: Template: 4CR2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain Z - contact count / total energy / energy per contact / energy per residue : 2486 2457 0.99 4.50 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain Z : 0.63 3D Compatibility (PKB) : 0.99 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.204

(partial model without unconserved sides chains): PDB file : Tito_4CR2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4cr2-query.scw PDB file : Tito_Scwrl_4CR2.pdb: