Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLNRRQALQRALLNGKNKQD-AYHPFPWYESMRKDAP---VSFDEENQVWSVFLYDDVKKVVGD----KELFSSCMP--QQTSSIGNSIINMDPPKHTKIRSVVNKAFTPRVMKQWEPRIQEITDELIQKF----QGRSEFDLVHDFSYPLPVIVISELLGVPSAHMEQFKAWSDLLVSTPKDKSEEAEKAFLEERDKCEEELAAFFAGIIEEKRNKPEQDIISILVE-AEETGEKLSGEELIPFCTLLLVAGNETTTNLISNAMYSILETPGVYEELRSHPELMPQAVEEALRFRAPA-PVLRRIAKRDTEIGGHLIKEGDMVLAFVASANRDEAKFDRPHMFDIRRHPNPHIAFGHGIHFCLGAPLARLEANIALTSLISAFPHMECVSITPIE-----NSVIYGLKSFRVKM 2C6H Chain:B ((38-424)) ----------------GALGQDFAADPYPTYARLRAEGPAHRVRTPEGDEVWLVVGYDRARAVLADPRFSKDWRNSTTPLTEAEAALNHNMLESDPPRHTRLRKLVAREFTMRRVELLRPRVQEIVDGLVDAMLAAPDGRA--DLMESLAWPLPITVISELLGVPEPDRAAFRVWTDAFVF--PDDPAQAQTAM--------AEMSGYLSRLIDSKRGQDGEDLLSALVRTSDEDGSRLTSEELLGMAHILLVAGHETTVNLIANGMYALLSHPDQLAALRADMTLLDGAVEEMLRYEGPVESATYRFPVEPVDLDGTVIPAGDTVLVVLADAHRTPERFPDPHRFDIRRDTAGHLAFGHGIHFCIGAPLARLEARIAVRALLERCPDL-ALDVSPGELVWYPNPMIRGLKALPIR-

General information: TITO was launched using: RESULT: Template: 2C6H.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 : 1734 -206416 -119.04 -563.98 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -119.04 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_2C6H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2C6H-query.scw PDB file : Tito_Scwrl_2C6H.pdb: