Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVIVLGSGVIGVASAYYLARQ-GA-EVTVLDRQSGPAEETSFGNAGQISPGYSTPWAAPGIPFKAVKWMFQHHAPLAINLDGSMWQLQWMAQMLKNCNPQSYAVNKERMMRVAEYSRDCLRELRKDTGIHYENRAKGTLQLFRKEAQMEAVQRDISVLEECGVSYELLNGNELGRVEPALANAQ---DKLVGGLHLPNDETGDCYLFTNALAQIAKELGVNFQFNQNVEKLIVEGDQIKGVQVNGKVLTADRYVLAFGSYSRDFLKPLDLQLPVYPVKGYSLTIPIVAPAFAPQSTVLDETYKIAITRF-DQRIRVGGMAEL-SGFNLGLNEDRHATLQMVTQDLFP-GGDMEQASFWTGLRPMTPDSTPIIGATRFKNLFLNTGHGTLGWTMACGSGKLISDIVLNHKTDISTDGLSIQRYSHAHAA 2GAG Chain:B ((22-393)) YDAIIVGGGGHGLATAYFLAKNHGITNVAVLEKGW-LAGGNMARNTTIIRSNYLWDE----------------------------------------------------SAGIYEKSLKLWEQLPEDLEYDFLFSQRGVLNLAHTLGDVRESVRRVEANKLNGVDAEWLDPSQVKEACPIINTSDDIRYPVMGATWQPRAGIAKHDHVAWAFARKANEMGVDIIQNCEVTGFIKDGEKVTGVKTTRGTIHAGKVALAGAGHSSVLAEMAGFELPIQSHPLQALVSELFEP-VHPTVV-MSNHIHVYVSQAHKGELVMGAGIDSYNGYGQRGAFHVIQEQMAAAVELFPIFARAHVLRTWGGIVDTTMDASPIISKTPIQNLYVNCGWGTGGFKGTPGAGFTLAHTIANDEPHELNKPFSLERFETGH--

General information: TITO was launched using: RESULT: Template: 2GAG.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 : 2304 12087 5.25 33.20 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : 5.25 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_2GAG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GAG-query.scw PDB file : Tito_Scwrl_2GAG.pdb: