Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRFFIADDDRAVRSILRQIIEDEDLG-EAAGEADDGSQVEGHMLQFKQIDILLIDLLMPGRDGIETIRQIQNTYSGK---IVMISQVEAKEMVGEAYSLGIEYFIHKPINRIEIVTVLQKVKERIELEHSIGAIQHSLSRLVNRTERKARPQQKSDSGLKEAGTFLLSELGMMGEGGAHDLMAVLQYLAEHEQSEPHEKQSPSLKQIFTQVAVRKLGTGASQTEVNREMKASEQRIRRAIIHSLHHFASLGTTDFSNPKFETYASKFFDFPVVSQKMKELQSKDAKPLAPARINMKKFIHVFFLEAKLLHETMKQRRI 3TO5 Chain:A ((13-132)) MKILIVDDFSTMRRIVKNLLRD--LGFNNTQEADDGLTAL-PMLKKGDFDFVVTDWNMPGMQGIDLLKNIRADEELKHLPVLMITAEAKREQIIEAAQAGVNGYIVKPFTAATLKEKLDKIFE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TO5.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 : 520 -86926 -167.16 -749.36 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -167.16 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.570

(partial model without unconserved sides chains): PDB file : Tito_3TO5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TO5-query.scw PDB file : Tito_Scwrl_3TO5.pdb: