Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFFVFSERRSISWHESVKLSLGVLAICVMSLAKLINELNAQQKKAATTMAQNCLVLAGAGCGKTKTIVARAAYLV-DQGLPANQIQILTFTRRAASEIVARVEQHVGAQAKGLRASTFHTFCMYLLRRNPQAFGLTQ-FSIIDRDDQL-LMFRLLRGKDKDNVLPKAAELCDLYSYARNTQSKL--SEALLKQLPEAYEYKSQIAELMKTYEQRKRERNFLDYDD-ILSIVDVHLQNSEVLTNWVAGFCQALLVDEMQDTNPLQWALLQPLIGKVKLFC-VGDDAQSIYGFRGADFENIHSFKERIPDAVIHTLDLNYRSTQEILDLSNWLLAHSPIDYQKQLQAHRGKGQKPQLHLFG-NEFEEANWIAQDLIERHQQGANWY-DHMVLVRSGYSARYLEGAFIAAEIPYRFIGGVKLLESAHVKDVLSLLRIVSNPQDDLAWMRFLTLWD-GIGDVGASKLAQELMSICEVEERCQRLERHGKVPLQAILILKQLDV---LQQHVEAS--IGLALDALS-EQLEQNYKTKDWSRRVRDFDLVKQLARKH-------ASLGEFLEEYVLEPISISEIEKAGDDDLVTLITIHSAKGAEQKVCYVPHVSPNQYPYARAQGDFDEVEEERRVLYVALTRAENELILTKQNLNT-WSQDTYDEQGRKIESYFLNDLPAHLVQAKIHRQVPQPFAKKQWNTSRTVNLGFGIDLD 1QHG Chain:A ((7-651)) ---------------------------------QLLAHLNKEQQEAVRTTEGPLLIMAGAGSGKTRVLTHRIAYLMAEKHVAP-NILAITFTNKAAREMRERVQSLLGGAAEDVWISTFHSMCVRILRRDIDRIGINRNFSILDPTDQLSVMKTILKEK---NIDPKKFEPRTILGTISAAKNELLPPEQFAKR---YYE--KVVSDVYQEYQQRLLRNHSLDFDDLIMTTIQLFDRVPDVLHYYQYKF-QYIHIDEYQDTNRAQYTLVKKLAERFQNICAVGDADQSIYRWRGADIQNILSFERDYPNAKVILLEQNYRSTKRILQAANEVIEHNVNRKPKRIWTENPEG-KPILYYEAMNEADEAQFVAGRIREAVERGERRYRDFAVLYRTNAQSRVMEEMLLKANIPYQIVGGLKFYDRKEIKDILAYLRVIANPDDDLSLLRIINVPKRGIGASTID--------LFEALGELEMIGLGAKAAGALAAFRSQLEQWTQLQEYVSVTELVEEVLDKSGYREMLKAERTIEAQSRLENLDEFLSVT-KHFENVSDDKSLIAFLTDLAL----IS-------GDAVMLMTLHAAKGLEFPVVFLIGMEEGIFPHNRSLEDDDEMEEERRLAYVGITRAEEELVLTSAQMRTLFGNIQMDPPSR-----FLNEIPAHLLETASR---------------------------

General information: TITO was launched using: RESULT: Template: 1QHG.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 : 3034 42769 14.10 72.24 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 14.10 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_1QHG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QHG-query.scw PDB file : Tito_Scwrl_1QHG.pdb: