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-GIGDVGASKL----AQELMSICEVEERCQRLERHGKVPLQAILILKQLDV---LQQHVEAS--IGLALDALS-EQLEQNYKTKDWSRRVRDFDLVKQLARKH-------ASLGEFLEEYVLEPISISEI---EKAGDDDLVTLITIHSAKGAEQKVCYVPHVSPNQYPYARAQGDFDEVEEERRVLYVALTRAENELILTKQNLNT-WSQDTYDEQGRKIESYFLNDLPAHLVQAKIHRQVPQPFAKKQWNTSRTVNLGFGIDLD 3PJR Chain:A ((7-652)) ---------------------------------QLLAHLNKEQQEAVRTTEGPLLIMAGAGSGKTRVLTHRIAYLMAEKHVAPWNILAITFTNKAAREMRERVQSLLGGAAEDVWISTFHSMCVRILRRDIDRIGINRNFSILDPTDQLSVMKTILKEK---NIDPKKFEPRTILGTISAAKNELLPPEQFAKRASTYYE--KVVSDVYQEYQQRLLRNHSLDFDDLIMTTIQLFDRVPDVLHYYQYKF-QYIHIDEYQDTNRAQYTLVKKLAERFQNICAVGDADQSIYRWRGADIQNILSFERDYPNAKVILLEQNYRSTKRILQAANEVIEHNVNRKPKRIWTENPEG-KPILYYEAMNEADEAQFVAGRIREAVERGERRYRDFAVLYRTNAQSRVMEEMLLKANIPYQIVGGLKFYDRKEIKDILAYLRVIANPDDDLSLLRIINVPKRGIGASTIDKLVRYAADHELSLFEALGELEMIGLGAKAAGALAAFRSQLEQWTQLQEYVSVTELVEEVLDKSGYREMLKAERTIEAQSRLENLDEFLSVT-KHFENVSDDKSLIAFLTDLAL----ISDLDETEQAAEGDAVMLMTLHAAKGLEFPVVFLIGMEEGIFPHNRSLEDDDEMEEERRLAYVGITRAEEELVLTSAQMRTLFGNIQMDPPSR-----FLNEIPAHLLETASRR--------------------------

General information: TITO was launched using: RESULT: Template: 3PJR.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 : 3079 75573 24.54 123.49 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 24.54 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.429

(partial model without unconserved sides chains): PDB file : Tito_3PJR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PJR-query.scw PDB file : Tito_Scwrl_3PJR.pdb: