Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFSDLKLFALSSNKELAERVAQEIGIELGKSSVRQFSDGEIQVNIEESIRGKHVFILQSTSSPVNDNLLEILIMVDALKRASAESVNVVMPYYGYARQDRKARAREPITSKLVANMLEVAGVDRLLTIDLHAAQIQGFFDIPVDHLMGAPLIADYFERRGMVGSDYVVVSPDHGGVTRARKLAEFLKTSIAIIDKRRSVDKMNTSEVMNIIGKVEGKTCILIDDMIDTAGTICHAADALAEAGAVEVYASCTHPVLSGPATDNIQKSAIKKLVVLDTIYLPEE---RLIDKIEQISIAHLLGDAIVRIHEKRPLSPLFDIEKKI 2HCR Chain:B ((3-313)) ----NIKIFSGSSHQDLSQKIADRLGLELGKVVTKKFSNQETCVEIGESVRGEDVYIVQSGCGEINDNLMELLIMINACKIASASRVTAVIPCFPYARQDKKDKSRAPISAKLVANMLSVAGADHIITMDLHASQIQGFFDIPVDNLYAEPAVLKWIRENISEWRNCTIVSPDAGGAKRVTSIADRLNVDFALIHKE---------DRMVLVGDVKDRVAILVDDMADTCGTICHAADKLLSAGATRVYAILTHGIFSGPAISRINNACFEAVVVTNTI--PQEDKMKHCSKIQVIDISMILAEAIRRTHNGESVSYLF------

General information: TITO was launched using: RESULT: Template: 2HCR.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 : 1718 -266567 -155.16 -885.60 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -155.16 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_2HCR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HCR-query.scw PDB file : Tito_Scwrl_2HCR.pdb: