Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLRNDLRNIAIIAHVDHGKTTLVDQLLHQAGTFRANE-QVAERAMDSNDLERERGITILAKNTAINYK-----DTRINILDTPGHADFGGEVERIMKMVDGVVLVVDAYEGCMPQTRFVLKKALEQNLNPVVVVNKIDRDFAR-----------PEEVIDEVLDLFIELDANEE-QL---EFPVVYASAINGTASLDPKQ-------------------QD-------------------------------------------------------------------------------EN-MEALYETIIKHVPAPVD---------------------------NAEEPLQFQVALLDYNDYV-GRIGIGRVFRGTMKVGQQVSLMKLDGT------AKSFRVTKIFGFQGLKRVEIEEAKAGDLVAVSGMEDIN-VGETVCPVD---HQDPLPVLR-IDEPTLQMTFVVNNSPFAGREGKYVTARKIEERLQSQLQTDVSLRVEPTASPDAWVVSGRGELHLSILIENMRRE--GYELQVSKPEVIIKE-ID-------------------------------------------------------------------------G------------------------------------------------------------------------------------VRCEPVERVQIDVPEEHTGSVMESMGARKGEMVDMINNGN-GQVRLIFTVPSRGLIGYSTEFLSLTRGFGILNHTFDSYQPMQAGQVGGRRQGVLVSMENGKATSYGIQGIEDRGVIFVEPGTEVYEGMIVGEHNRDNDLVVNVSKMKQQTNVRSATKDQTTTIKKARIMSLEESLEYLNEDEYCEVTPESIRLRKKILNKNEREKAAKKKKTAGLS 3JB9 Chain:B ((136-924)) -TGTDDVRSFIVAGHLHHGKSALLDLLVYYTHPDTKPPKRRSLRYTDTHYLERERVMSIKSTPLTLAVSDMKGKTFAFQCIDTPGHVDFVDEVAAPMAISDGVVLVVDVIEGVMINTTRIIKHAILHDMPIVLVLNKVDRLILELRLPPNDAYHKLRHVIDEVNDNICQISKDLKYRVSPELGNVCFASCDLGYCFTLSSFAKLYIDRHGGIDVDLFSKRLWGDIYFDSKTRKFAKQSLDGSGVRSFVHFILEPLYKLHTLTISDEAEKLKKHLSSFQIYLKPKDYLLDPKPLLQLICASFFGFPVGFVNAVTRHIPSPRENAARKASQSYIGPINSSIGKAILEMSREESAPLVMHVTKLYNTVDANNFYAFARVYSGQVKKGQKVKVLGENYSLEDEEDMVVAHIAEICVPCARYRLHVDGAVAGMLVLLGGVDNSISKTATIVSDNLKDDPYIFRPIAHMSESVFKVAVE----PHNPSE--LP---KLLDGLRKTNKSYPLSITKVE-ESGEHTIFGTGEMYMDCLLYDLRTLYSEIEIRVSDPVARFCETAVDTSSIKCFSDTPNKKNRITMVVEPLEKGISNDIENGKVNINWPQKRISEFFQKNYDWDLLASRSIWAFGPDDRGTNILRDDTLSTDVDKNVLNSVKEYIKQGFQWGTREGPLCDETIRNVNFRLMDVVLAPEQIYRGGGQIIPTARRVCYSSFLTASPRLMEPVYMVEVHAPADSLPIIYDLLTRRRGHVLQDIPRPGSPLYLVRALIPVIDSCGFETDLRVHTQGQAMCQMVFDHWQVVPGD------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3JB9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2630 -283107 -107.65 -603.64 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -107.65 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.444

(partial model without unconserved sides chains): PDB file : Tito_3JB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JB9-query.scw PDB file : Tito_Scwrl_3JB9.pdb: