Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------MLLWLFEQLAGYH---------SSFQVVRYLTLRSLLSVLTSLTIGLVLGPIMIRKLQALK---YGQAVSSFAPENHAKKMGTPT-----MGGILILLSIGISTLLWADL---SNPYVWIVLGVMVVFGAVGWADDWIKIRYKDNAGLPARKKFFWTSVASLGAGIALYLIATQQSNAEYTANMLDLLIPFFKNLSIPLSIVPLGLAFIVFTYLVINGASNAVNLTDGLDGLAIMPVVMVATGLGVFAYLSGDIRFANYLHIPYVKYTSELVVICSAMIGAGLAFLWYNAHPAQVFMGDVGALALGAMLGTIAVMVRQEIVFAIMGGVFVMEAVSVFLQIGSLRMRNKRVFLMAPLHHHYEKQGWKETQVVIRFWIITIMLVVLGLMTLKLR--------- 4BWZ Chain:A ((3-386)) GAEHLLEIFYLLLAAQVCAFIFKRLNQPVVIGEVLAGVLVGPALLGLVHEGEILEFLAELGAVFLLFMVGLETRLKDILAVGKEAFLVAVLGVALPFLGGYLYGLEIGFETLPALFLGTALVATSVGITARVLQELGVLSRPYSRIILGAAVIDDVLGLIVLACVNGVAETGQVEVGAITRLIVLSVVFVGLAVFLSTLIAR--------------------LPLERLPVG-----------SPLGFALALGVGMAALAASIGLAPIVGAFLGGMLLSEVREKYRLEEPIFAIESFLAPIFFAMVGVRLE------------LSALASPVVLVAGTVVTVIAILGKVLGGFLGALTQGVRSALTVGCGMAPRGEVGLIVAALGLKAGAVNEEEYAIVLFMVVFTTLFAPFALKPLIAWTERERAAKE

General information: TITO was launched using: RESULT: Template: 4BWZ.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 : 1616 -181139 -112.09 -550.57 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -112.09 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.263

(partial model without unconserved sides chains): PDB file : Tito_4BWZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BWZ-query.scw PDB file : Tito_Scwrl_4BWZ.pdb: