Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDSFFDTPIPEDQVFSNAPKCRTRREATRHYLDHVHYTEPQPDVPGEILHHIVHPFSMGSITDRQITLQDNGTICKSTRIGRSNLGAEKHHLELVAMKTSVPVPRVHQYYVSEEFEHLVMDNMPGTTLQQAWPTLSHLERKSIADQVVSLVQRLRELRSTH--INAALLFRRP-----LRDGLRDATDLSMER----INPYLSDEHIAAYINKRSAIMEGQLNVFTHGDLDWGNILIADKQVCGLIDLESSGFFPPYWE----WIMVKRLSHSLPKDSWFRLLEERLGAEDHSNWQGMWEVEQLIMALDEFSRWDLTPAGREMNRHRGWTEVVRILGPGVGDPPVVLYEMAAEHPWWLVSAADGEVKFTSRREWPTLMKSKTAV 4GKH Chain:A ((81-246)) -----------------------------------------------------------------------------------------------------PLPTIKHFIRTPDDAWLLTTAIPGKTAFQVLEEYPD-SGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRLAQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDS--------VVTHGDFSLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQK------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4GKH.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 : 473 -39425 -83.35 -261.09 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -83.35 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.159

(partial model without unconserved sides chains): PDB file : Tito_4GKH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4gkh-query.scw PDB file : Tito_Scwrl_4GKH.pdb: