Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKKCSVCLWILVLLLSCLSGKSAYAATSTTIAKHIGNSNPLIDHHLGADPVALTYNGRVYIYMSSDDYEYNSNGTIKDNSFANLNRVFVISSADMVNWTDHGAIPVAGANGANGGRGIAKWAGASWAPSIAVKKINGKDKFFLYFA------NSGGGIGVLTADSPIGPWTDPIGKPLVTPSTPGMSGVVW-LFDPAVFVDDDGTGYLYAGGGVPGVSNPTQGQWANPKTARVIKLGPDMTSVVGSASTIDA-PFMFEDSGLHKYNGTYYYSYCINFGGTHPADKPPGEIGYMTSSSPMGPFTYRGHFLKNPGAFFGGGGNNHHAVFNFKNEWYVVYHAQTVSSALFGAGKGYRSPHINKLVHNADGSIQEVAANYAGVTQISNLNPYNRVEAETFAWNGRILTEKSTAPGGPVNNQHVTSIQNGDWIAVGNADFGAGGARSFKANVASTLGGKIEVRLDSADGKLVGTLNVPSTGGAQTWREIETAVSGATGVHKVFFVFTGTGTGNLFNFDYWQFTQR 3QEE Chain:A ((3-293)) --------------------------------------ENPIFTDVFTADPAALVHKGRVYLYAGRDEAPDNT-------TFFVMNEWLVYSSDDMANWEAHG--PGLRAKDFTWAKGDA------WASQV----IERNGKFYWYVTVRHDDTKPGFAIGVAVGDSPIGPFKDALGKALITNDMTTDTPIDWDDIDPSVFIDDDGQAYLFWGNTRP----------------RYAKLKKNMVELDGPIRAIEGLPEFTEAIWVHKYQDNYYLSYAMGF---------PEKIGYAMGKSIKGPWVYKG--ILNEVA--GNTPTNHQAIIEFNNKHYFIYH---TGAGRPDGGQYRRSVSIDELFYNPDGTIKRIVMTTEGV---------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3QEE.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 : 1761 -28356 -16.10 -100.20 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -16.10 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_3QEE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QEE-query.scw PDB file : Tito_Scwrl_3QEE.pdb: