Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGLSVMQSLQSLQPRISVAPMMDW--------TTKDYRFFARL-FNPNVVLYTEMVTTGAILFG---------DA-----KRHLD--YNAQEHPIVLQLGGS------------------------NP------------QELATCTKMAEDWGYDEVNLNVGC---------PSDRVQNNKIGACLMAEPDLVAECIHSMQKAV--NIPVTVKHRIGIDD--MQSYEEMLHFVDTVAATGCTHFVVHARIAILKGLSPKENREVPPLRYEDVYRLKQERPHLTIEINGGIKTFAETQAHLQ-H-VDGVMIGREAYHNPYLLAELGQLWNLEAPDRFDIMEQMLPYIEQRLAEGAPLSIITRHILGLFQNLPGARKWRQALSGGNAKTLTDVENAIHNMQAAIIRTEEYLKEHQF 3KRU Chain:D ((9-322)) -----KIKDITIKNRIMMSPMCMYSASTDGMPNDWHIVHYATRAIGGVGLIMQEATAVESRGRITDHDLGIWNDEQVKELKKIVDICKA-NGAVMGIQLAHAGRKCNISYEDVVGPSPIKAGDRYKLPRELSVEEIKSIVKAFGEAAKRANLAGYDVVEIHAAHGYLIHEFLSPLSNKRKDEYGNSIENRARFLIEVIDEVRKNWPENKPIFVRVSADDYMEGGINIDMMVEYINMIK-DKVDLIDVSSGGLLNVD-----INLYPGYQVKYAETIKKRC-NIKTSAVGLITTQELAEEILSNERADLVALGRELLRNPYWVLHTYT----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3KRU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1342 -5299 -3.95 -22.26 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain D : 0.61 3D Compatibility (PKB) : -3.95 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.468

(partial model without unconserved sides chains): PDB file : Tito_3KRU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KRU-query.scw PDB file : Tito_Scwrl_3KRU.pdb: