Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLNRRQALQRALLNGKNKQDAYHPFPWYESMRKDAPVSFDEE--NQVWSVFLYDDVKKVVGDKE-LFSSCMP--Q-Q-T--S-SIGNSIINMDPPKHTKIRSVVNKAFTPRVMKQWEPRIQEITDELIQKFQGRSEFDLVHDFSYPLPVIVISELLGVPSAHMEQFKAWSDLLVSTPKDKSEEAEKAFLEERDKCEEELAAFFAGIIEEKRNKPEQDIISILVEAEE-TGEKLSGEELIPFCTLLLVAGNETTTNLISNAMYSILETPGVYEELRSHPELMPQAVEEALRFRAPAPV-LRRIAKRDTEIGGHLIKEGDMVLAFVASANRDEAKFDRPHMFDIRRHPNPHIAFGHGIHFCLGAPLARLEANIALTSLISAFPHMEC-VS---ITPIENSVIYGLKSFRVKM 3A4G Chain:A ((19-398)) ----------------------WQNPHPAYAALRAEDPVRKLALPDGPVWLLTRYADVREAFVDPRLSKDWRHTLPEDQRADMPATPTPMMILMDPPDHTRLRKLVGRSFTVRRMNELEPRITEIADGLLAGLPTDGPVDLMREYAFQIPVQVICELLGVPAEDRDDFSAWSSVLV----DD---SPA---DDKNAAMGKLHGYLSDLLERKRTEPDDALLSSLLAVSDEDGDRLSQEELVAMAMLLLIAGHETTVNLIGNGVLALLTHPDQRKLLAEDPSLISSAVEEFLRFDSPVSQAPIRFTAEDVTYSGVTIPAGEMVMLGLAAANRDADWMPEPDRLDITRDASGGVFFGHGIHFCLGAQLARLEGRVAIGRLFADRPELALAVGLDELVYRESTLVRGLSRMPVTM

General information: TITO was launched using: RESULT: Template: 3A4G.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 : 1779 -219324 -123.28 -602.54 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -123.28 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_3A4G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A4G-query.scw PDB file : Tito_Scwrl_3A4G.pdb: