Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFFVFSERRSISWHESVKLSLGVLAICVMSLAKLINELNAQQKKAATT-MAQNCLVLAGAGCGKTKTIVARAAYLVDQG---------LPANQIQILTFTRRAASEIVARVEQHVGA-------------------------------------QAKGLRASTFHTFCMYLLRRNPQAFGL-TQFSIIDRDDQ--LLMFRLLRGKDKD--NV----------L-P--KAAELCDL----------------------------YS----YA-----------RNTQSKLSEALL-----------------------------KQ--LP---------------EAYEYKSQIAELMKTYEQRKRERNFLDYDDILSIVDVHLQNS--EVLTNWVAGFCQALLVDEMQDTNPLQWALLQPLI-G--KVKLFCVGDDAQSIYGFRGADFENIHSFKERIPDAVIHTLDLNYRSTQEILDLSNWLLAHSPIDYQK---QLQAHRGK--------------GQKPQL--------HLFGNEFEEANWIAQDLIERHQQ---------------GANWYDHMVLVRSGYSARYLEGAFIAAEIPYRFIG-GVKLLESAHVKDVLSLLRIVSNPQDDLAWMRFLTLWD-GIGDVGASKLAQELMSICEVEERCQRLERHGKVPLQAILILKQLD-VLQQHVEASIGLALDALSEQLEQNYKTKDWSRRVRDFDLVKQLARK----HASLGEFLEEYVLEPISISEIE------KAGDDDLVTLITIHSAKGAEQKVCYVPHVS-----PNQYPYARAQG----------------DFDEVEEERRVLYVALTRAENELILTKQNLNTWSQDTYDEQGRKIESYFLNDLPAHLVQAKIHRQVPQPFAKKQWNTSRTVNLGFGIDLD 1W36 Chain:B ((2-823)) -------------------------------------SDVAETLDPLRLPLQGERLIEASAGTGKTFTIAALYLRLLLGLGGSAAFPRPLTVEELLVVTFTEAATAELRGRIRSNIHELRIACLRETTDNPLYERLLEEIDDKAQAAQWLLLAERQMDEAAVFTIHGFCQRMLNLNAFESGMLFEQQLIEDESLLRYQACADFWRRHCYPLPREIAQVVFETWKGPQALLRDINRYLQGEAPVIKAPPPDDETLASRHAQIVARIDTVKQQWRDAVGELDALIESSGIDRRKFNRSNQAKWIDKISAWAEEETNSYQLPESLEK--PRHPLFEAIDQLLAEPLSIRDLVITRALAEIRETVAREKRRRGELGFDDMLSRLDSALRSESGEVLAAAIRTRFPVAMIDEFQDTDPQQYRIFRRIWHHQPETALLLIGDPKQAIYAFRGADIFTYMKARSEV--HAHYTLDTNWRSAPGMVNSVNKLFSQTDDAFMFREIPFIPVKSAGKNQALRFVFKGETQPAMKMWLMEGESCGVGDYQSTMAQVCAAQIRDWLQAGQRGEALLMNGDDARPVRASDISVLVRSRQEAAQVRDALTLLEIPSVYLSNRDSVFETLEAQEMLWLLQAVMTPERENTLRSALATSMMGLNALDIETLNNDE----HAWDVVVEEF--------DGYRQIWRKRGVMPMLRAL--MSARNIAENLLAT---AGGERRLTDILHISELLQEAGTQLESEHALVRWLSQHILEPDSNASSQQMRLESDKHLVQIVTIHKSKGLEYPLVWLPFITNFRVQEQAFYHDRHSFEAVLDLNAAPESVDLAEAERLAEDLRLLYVALTRSVWHCSLGVAPLVRR---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1W36.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 : 2364 -16446 -6.96 -28.70 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -6.96 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.412

(partial model without unconserved sides chains): PDB file : Tito_1W36.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1W36-query.scw PDB file : Tito_Scwrl_1W36.pdb: