Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMTVEQMTKVFRLVMDDVELNRLLYYKTDPLSPSHPDVQSLENYYDSTNDSPAIINTIFKRAP--KTDDL--SDSPLCRMCIYLGNALPKPTNQSFMLLNQELMIDVYTHINTFEISEYRSLKIIDRVSKLFFNKNIAGFGVTVDYKRLLISNPPDGYLGYKMIFTFGASK 4CL3 Chain:A ((47-147)) --------------------------YEASPIEGFDVRVTGTNNYADTANSDVIVVTSGAPRKPGMSREDLIKVNADITRACIS--QAAPLSPNAVIIMVNNPL--DAMTYLAA-EVSGFPKERVIGQAGVL----------------------------------------

General information: TITO was launched using: RESULT: Template: 4CL3.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 : 332 1963 5.91 20.23 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 5.91 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.318

(partial model without unconserved sides chains): PDB file : Tito_4CL3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CL3-query.scw PDB file : Tito_Scwrl_4CL3.pdb: