Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIG--SKRMLLRIYG--IGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDTFPPAENEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHK--------DIETCKSILNTLSTPTVFAHNDTQYGNILKIENTD-ELVVIDFEYAGYNPRGYDIANHFCEWMYDY-HSSEP-AKMNHKSYPTHKEQVRFLTAY------DKHHVT---------ELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA 2CKQ Chain:B ((85-381)) ------------------------------------------------------ATLGDEPRKVLLRLYGAI---EAMV---LESVMFAILAERSLGPKLYGIFPQGRLEQFIPSRRLDTEELSLPDISAEIAEKMATFHGMKM---PFNKEPKWLFGTMEKYLK----EVLRI--------KFTEES-RIKKLHKLLSYNLPLELENLRSLLESTPSPVVFCHNDCQEGNILLLEGR-QKLMLIDFEYSSYNYRGFDIGNHFCEWMYDYSYEKYPFFRANIRKYPTKKQQLHFISSYLPAFQNDFENLSTEEKSIIKEEMLLEVNRFALASHFLWGLWSIVQAKISSIEFGYMDYAQARFDAY------------

General information: TITO was launched using: RESULT: Template: 2CKQ.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 : 980 -7580 -7.73 -29.49 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -7.73 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_2CKQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ckq-query.scw PDB file : Tito_Scwrl_2CKQ.pdb: