Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEQLLPNQLEGAYDRDGKGLSVADA---MPGGKQRFAIIGSEEFDWTIDQEKYIYPNHRGIDHYDRFKEDLALFAEMGFKCYRFSIAWTRIFPNGDEGTPNEAGLEFYDQLIDECLKYDIEPVITISHYEMPLHLAKEYGGWKNRKLIDFYERFAQTVLERYSSKVKYWMTFNEINSAFHFPALSQGLVKSNGARRVPKYFPSMA 3SCT Chain:B ((34-181)) -------QVEGMAASGGRGPSIWDAFAHTPGN-----VAGNQNGDVATDQ-------------YHRYKEDVNLMKSLNFDAYRFSISWSRIFPDG-EGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNE-------------------------------

General information: TITO was launched using: RESULT: Template: 3SCT.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 : 609 13613 22.35 93.88 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : 22.35 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.550

(partial model without unconserved sides chains): PDB file : Tito_3SCT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SCT-query.scw PDB file : Tito_Scwrl_3SCT.pdb: