Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDSSSAAADAGGAAARSGLHVYSSAQANAAGSGTAALPNKALDHMKHMSRSKSDARRSGSKRTFDEATATDNVQLRRHDGTAVPNTAPNQVVEVVAPPPKKKKVTYALPHQNMEEGHFYVVLGEDIDVSTQRFKILSLLGEGTFGKVVESWDRKRKEYCAVKIVRNVPKYTRDAKIEIQFMEKVRQADPADRFPLMKIQRYFQNDSGHMCIVMPKYGPCLLDWIMKHGPFNHRHLAQI---VFQTGVALDYFHSELHLMHTDLKPENILM-----ETSDTTVDPATN----RHLPPDPCRVRICDLGGCCDERHSRTAIVSTRHYRSPEVILGLGWMYSTDMWSMGCIIYELYTGKLLYDTHDNLEHLHLMEKTLGRLPSEWAARCGTEEARLLYNSAGQLRPCTDPKHLARIARARTVR------DVIRDDLLCDLIYGLLHYDRQKRLNARQMTTHPYVLKYYPEARQAPSYPDNRAMLRPPPIM 3LLT Chain:A ((37-359)) ------------------------------------------------------------------------------------------------------------------------------------FLVIRKMGDGTFGRVLLCQHIDNKKYYAVKVVRNIKKYTRSAKIEADILKKIQNDDINNNNIVKYHGKFMYYD--HMCLIFEPLGPSLYEIITRNN-YNGFHIEDIKLYCIEILKALNYLR-KMSLTHTDLKPENILLDDPYFEKSLITVRRVTDGKKIQIYRTKSTGIKLIDFGCATFKSDYHGSIINTRQYRAPEVILNLGWDVSSDMWSFGCVLAELYTGSLLFRTHEHMEHLAMMESIIQPIPKNMLYE-ATKTNGSKYVNKDELKLAW-PENASSINSIKHVKKCLPLYKIIKHELFCDFLYSILQIDPTLRPSPAELLKHKFL--------------------------

General information: TITO was launched using: RESULT: Template: 3LLT.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 : 1504 -44001 -29.26 -144.26 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -29.26 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_3LLT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LLT-query.scw PDB file : Tito_Scwrl_3LLT.pdb: