Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKLSEEMKQTIMDIFEHLHANPEVSWKEYETTSFLKQKLEDLGCRTRT--FSDCTGVVGEIGSGSPVVAVRADIDALWQEVNG-----------TFRANHSCGH---DSHMTMALGTLMLLKKQPELPKGTIRFIFQPAEEKGG--GALKMIEEGV--LDDIDYLYGVHVRPIQETQNGRCAPSILHGSSQHIEGTIIGEEAHGARPHLGKNSIEIAAFLVHKLGLIHI----DPQIPHTVKMTKLQAGGESSNIIPGKASFSLDLRAQTNEAMEALIAETERACEAAAAAFGAKIELHKEHSLPAAT-QNKEAEAIMAEAITEIIGAERLDDPLVTTGGEDFHFYAV-KVPNLKTTMLGLGCGLQPGLHHPHMTFDRNAMFTGIHILANAVLKTFQKAESLAAANAS 4PQA Chain:A ((2-376)) -------TETQSLELAKELISRPSVTPDDRDCQKLLAERLHKIGFAAEELHFGDTKNIWLRRGTKAPVVCFAGHTDVVPTGPVEKWDSPPFEPAERDGRLYGRGAADMKTSIACFVTACERFVAKHPNHQGSIALLITSDEEGDALDGTTKVVDVLKARDELIDYCIVGEPTA---VDKLGDMIKNGRRGSLSGNLTVKGKQGHIAYPHLAINPVHTFAPALLELTQEVWDEGNEYFPPTSFQISNINGGTGATNVIPGELNVKFNFRFSTESTEAGLKQRVHAILDK----HGVQYDLQWSCSGQPFLTQAGKLTDVARAAIAETCGIEA--ELSTTGGTSDGRFIKAIAQEL---IELGPSN---ATIHQINENVRLNDIPKLSAVYEGILARLL------------

General information: TITO was launched using: RESULT: Template: 4PQA.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 : 1976 -132545 -67.08 -379.79 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -67.08 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_4PQA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PQA-query.scw PDB file : Tito_Scwrl_4PQA.pdb: