Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRFFIADDDRAVRSILRQIIEDEDLG-EAAGEADDGSQVEGHMLQFKQIDILLIDLLMPGRDGIETIRQIQNTYSGK---IVMISQVEAKEMVGEAYSLGIEYFIHKPINRIEIVTVLQKVKERIELEHSIGAIQHSLSRLVNRTERKARPQQKSDSGLKEAGTFLLSELGMMGEGGAHDLMAVLQYLAEHEQSEPHEKQSPSLKQIFTQVAVRKLGTGASQTEVNREMKASEQRIRRAIIHSLHHFASLGTTDFSNPKFETYASKFFDFPVVSQKMKELQSKDAKPLAPARINMKKFIHVFFLEAKLLHETMKQRRI 4HNQ Chain:A ((5-124)) MKILIVDDFSTMRRIVKNLLRD--LGFNNTQEADDGLTAL-PMLKKGDFDFVVTDWNMPGMQGIDLLKNIRADEELKHLPVLMITAEAKREAIIEAAQAGVNGYIVKPFTAATLKEKLDKIFE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4HNQ.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 : 513 -81449 -158.77 -702.15 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -158.77 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_4HNQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HNQ-query.scw PDB file : Tito_Scwrl_4HNQ.pdb: