Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRYRTLLFDVDDTILDFQAAEALALRLLFEDQNIPLTND-MKAQYKTINQGLWRAFEEGKMTRDEVVNTRFSALLKEYGYEADGALLEQKYRRFLEEGHQLIDGAFDLISNLQQQFDLYIVTNGVSHTQYKRLRDSGLFPFFKDIFVSEDTGFQKPMKEYFNYV---FERIPQFSAEHTLIIGDSLTADIKGGQLAGLDTCWMNPDMKPN---VPEIIPTYEIRKLEELYHILNIENTVSC 3SMV Chain:A ((3-237)) LTDFKALTFDCYGTLIDWETGIVNALQPLAKRTGKTFTSDELLEVFGRNES-PQQ-TETPGALYQDILRAVYDRIAKEWGLEPDAA-EREEFGTSV-KNWPAFPDTVEALQYLKKHYKLVILSNIDRNEF--KLSNAKLGVEFDHIITAQDVGSYKPNPNNFTYMIDALAKA-GIEKKDILHTAESLYHDHIPANDAGLVSAWIYRRHG--HVPSRMPNVDFRFNSMGEMAEAHKQA-----

General information: TITO was launched using: RESULT: Template: 3SMV.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 : 1130 -110225 -97.54 -498.75 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -97.54 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.460

(partial model without unconserved sides chains): PDB file : Tito_3SMV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SMV-query.scw PDB file : Tito_Scwrl_3SMV.pdb: