Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAYPNGKLSEEKVFKDPVHRYVHVRDKLIWDLIGTREFQRLRRIKQLGTTYLTFHGAEHSRFNHSLGVYEIVRRMVDDVFKGRPEWDDSERE-LCLA-AALLHDLGHGPFSHSFE------------------KVFHLDHEDFTRGI--------ILGDTEVNQVLRKVSPGFPQDVAEVIAKTYKNK--------QVVSLISSQIDADRMDYLQRDAYYTGVSYGHFDMERILRVMR----PREDQIVIKESGMHAVEDYIMSRYQMYWQVYFHPVTRSAEVILTKILHRAKQLHDEGYVFTHAPVHFYSIFEGKLTLEDYVKLDESIILYYFQAWEDE-EDAILSDLCRRFINRQLFQYVEFNPNEEMSAYFELTSLFKEAGIDPSYYLVVDSSSDLPYDFYRPGEEEERLPIHLLTQNGQIKELSRQSAIVESISGKRRTDHKLYYPKDLICDGTKHPEAKMKIRQLLGLT 4QG4 Chain:A ((40-381)) -----------KVINDPIHGHIELHPLLV-RIIDTPQFQRLRYIKQLGGGYYVFPGASHNRFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGAGPFSHMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEEDICFIKEQIVGPLE------LW-PYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARDCHHLGIQ-NNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSLHRRAYQHKVGNIIDTMITDAFLKA----DDYIEITGAGGKKYRISTAIDDMEAYTKLTDNIFLEILYSTDPKLKDA--REILKQIEYRNLFKYV----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QG4.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 : 1409 -74427 -52.82 -252.29 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -52.82 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.330

(partial model without unconserved sides chains): PDB file : Tito_4QG4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QG4-query.scw PDB file : Tito_Scwrl_4QG4.pdb: