Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------MRVIVLGSGVIGVASAYYLARQ--GAEVTVLDRQSGPAEETSFGNAGQISPGYSTPWAAPGIPFKAVKWMFQHHAPLAINLDGSMWQLQWMAQMLKNCNPQSYAVNKERMMRVAEYSRDCLRELRKDTGIHYENRAKGTLQLFRKEAQMEAVQRDISVLEECGVSYELLNGNELGRVEPAL---ANAQDKLVGGLHLPNDETGDCYLFTNALAQIAKELGVNFQFNQNVEKLIVEGDQIKGVQVNGKVLTADRYVLAFGSYSRDFLKPLDLQLPVYPVKGYSLTIPIVAPAFAPQSTVLDETYKIAITRFDQRIRVGGM-AELSGFNLGLNEDRHATLQMVTQDLFPGGD-MEQASFWTGLRPMTPDSTPIIGATRFKNLFLNTGHGTLGWTMACGSGKLISDIVLNHKTDISTDGLSIQRYSHAHAA-------- 1X31 Chain:B ((1-402)) ADLLPEHPEFLWNNPEPKKSYDVVIVGGGGHGLATAYYLAKNHGITNVAVLEK-------------GWLAGG--NMARNTTII--------------------------------------RSNYLWDESAGIYEKSLKLWEELPEELEYDFLFSQRGVLNLAHTLGDVRESIRRVEANKFNGVDAEWLTPEQVKEVCPIINTGDNIRYPVMGATYQPRAGIAKHDHVAWAFARKANEMGVDIIQNCEVTGFLKDGEKVTGVKTTRGTILAGKVALAGAGHSSVLAELAGFELPIQSHPLQALVSELF-EPVHPTVVMSNHIHVYVSQAHKGELVMGAGIDSYNGYGQRGAFHVIEEQMAAAVELFPIFARAHVLRTWGGIVDTTMDASPIISKTPIQNLYVNCGWGTGGFKGTPGAGYTLAHTIAHDEPHKLNAPFALERFETGHLIDEHGAAAV

General information: TITO was launched using: RESULT: Template: 1X31.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 : 2246 2738 1.22 7.46 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : 1.22 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.435

(partial model without unconserved sides chains): PDB file : Tito_1X31.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1X31-query.scw PDB file : Tito_Scwrl_1X31.pdb: