Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKSSKFFFEDQKYNK-----ERIVRVLGGNLALLKSKGILYEDSSGDLIFNYVGVISNGRNVIFILPKYCNRHLDEHSKRTLFNKLLKIFKKYSGL---NKSRESDYFVSELDSDEVSDFMIADYLLNDFSLNGYYQKKFTEYEIDGEGIIDWSKTVNE-ITPVFSKGV--PYYFSTYNEVVQKDEYHLIVKIHKWALSKYFNDFGVILGFTGLEF----DKSCDGMKILDYADFFGSVI--NKEIVNTYVDR--DVKLLKALKTAIDREENQFSKRPTLSLYGT-----------------------KYFHRVWEEVCK--TVFSHVNEYVKKISRPNWINFTDIEVNKEKKTLEPDIIKAF-----------------------------------EYRSKEYFLILDAKYYNI--NFDGKKLEGNPGVEDITKQLLYD-----KALEKLSRGK-TKHNAFLFP---------SSNSTNTFKVFGSVDFDFLDIAAVT-----------LVYISAEQVYNLY--------LENKTFSTDDLFKFVSEINKSKKRHSVITSTLYGNMFLFTKRLSDKN------------ 4IA6 Chain:A ((1-591)) MYYSNGNYEAFADPKKPAGVDKKSAYIIGSGLAGLSTAVFLVRD--AQMKGENIHILEELPVAGFVVR--GGREMENH-----FECLWDMYRSIPSLEVPGASYLDEYYWLDKEDPNSSNCRLIYNRGDRLPSDGQYGLGKCANEIVKLIMTPEKEIEGQTIEEFFSDEFFKTNFWTYWSTMFAFEKWHSLAEMRRYAMR-FIHHIDGLPDFTALKFNKYNQYESMVKPLLAYLKDHGVQFEYDCHVKNVEVDHEGDSKIAKKIVMTQNGKDKEIDLTHNDIVFVTNGSITESSTYGDQNTPAPITNAKGDSWKLWENLAKQDPAFGHPDVFCENLPERSWFVSATATLENKK--LAPYFERLTKRSLYDGKVNTGGIITIVDSNWELSFTIHRQPHFKSQNPDQIVVWIYALYSDTEGNYIKKRIVDCTG-KEIAEELLYHLGVPESQISELASEENMNTVPVYMPYITSYFMPRRDGDRPDVVPEGSINLAFIGNFAESPTRDTVFTTEYSVRTAMEAVYTLLNVDRGVPEVFDSIYDIRQLLRAMYYMSDKKKLADQDMPLPEKLAVKTGMRKIKKTWVEELLKEANLV

General information: TITO was launched using: RESULT: Template: 4IA6.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 : 2086 -152585 -73.15 -337.58 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -73.15 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.166

(partial model without unconserved sides chains): PDB file : Tito_4IA6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IA6-query.scw PDB file : Tito_Scwrl_4IA6.pdb: