Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKYRKFQLLMSKYGFSLSIMLLELCLVFGLFLYLGRMAPILWITVLILLSIITIISIVNRNTTPENKVTWLLVAFVPVFGPLLYLMFGERRLSKKEIKQLKKLGSMHFQEANSQLLKEKLKESDKAAYGVIKSLLSMDTNADIYDQTASTFFPNGEAMWKKMVEDLKKAEKFIFLEYYIIEEGLMWNRILDILEQKVA--QGVEVKMLYDDIGCMATL-T-GDYAHRLRQLGIEAHKFNKVIP------RLTVAYNNRDHRKILIVDGQIAYTGGVNLADEYINHVERFGYWKDSGIRLDGLA-VKALTRLFLTTWYINRGEISDF--------------DQYHLENHS----I--PSDGLTIPYGSGPKPIF----RAQVGKKVYQSLINQATESVYITTPYLIIDYDLTETIKNAAMRGVDVRIITPYIPDKKFIQ---------LVT----RGAYPDL-------LSAG---VRIYEYSPGFIHSKQMLVDEDFAVVGTINLDYRSLVHHYENAVLLYKTP--SIREIARDFRNIFADSQEV----YPHSI-KTS-WYQKLVKEIAQLFAPIL 3HSI Chain:C ((16-446)) ------------------------------------------------------------------------------------------------------------------------------------------LPFLALQAEQIEFLGSSAEFKTQIIELIRNAKKRIYVTALYWQKDEAGQEILDEIYRVKQENPHLDVKVLIDWHRAQRNLL-SATNADWYCEQRQTYQ--LPDDPNFFGVPINTREVFGVLHVKGFVFDDTVLYSGA-SINNVYLHQ--FEKYRYDRYQKITHAELADSMVNFINDYLLDFSAVYPLDVTNRPRTKEIRGNIRAYRKDLAQNGEYSLKSAVKLPNVLSVSPL--FGLGASGNELNQVIEDLFLQVQKKLVICTPYFNFPRTLQHKIATLLENGKRVEIIVGDKVANDFYIPPEQPFKMAGALPYLYESNLRRFCEKFETQIESGQLVVRLWRDGDNTYHLKGVWVDDRYILLTGNNLNPRAWRLDAENGLLIYDPQQQLLAQVEKEQNQIRQHTKVLKHYTELEELNQYPEPVQKLLKKFARI-----

General information: TITO was launched using: RESULT: Template: 3HSI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1780 -55585 -31.23 -154.83 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain C : 0.60 3D Compatibility (PKB) : -31.23 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.288

(partial model without unconserved sides chains): PDB file : Tito_3HSI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HSI-query.scw PDB file : Tito_Scwrl_3HSI.pdb: