Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTASQQQIQLARRPQGIPVHEDFRFET-----IPVPEPKQGEVLVKTLYVSVDPYMRGRM--QDTKSYVEPFALDKALSGGVIAEVVSDGNH--LKKGDIVIGNLSWQEFSAVSE-SALRKIDTSLAPASAYLGILGMTGLTAYFGLLDIGRPKEGETVVVSGAAGAVGSTVGQIAKIKGARVVGIAGSDEKIDYLKQELQFDEAINYKTADDIQKALQNACPDGVDVYFDNVGGPISDAVMNLLNEFARIPVCGAISSYNAESEADDMGPRVQSKLIKTKSLMQGFIVSDYSDRFSEGAKQLAEWLKAGKLHYEETITEGFENIPDAFLGLFKGENKGKQLIKVSDPS 4NH4 Chain:B ((21-349)) -------------PEGAPKETDMELVTTGTIRLRVPEGSNA-VLLKNLYLSCDPYMRMRMTKHEEASYVDDFVPGAPITGFGVGKVV-DSSHPDFKTGDYVWGLIGWEEYSLITKPQGLFKIHHTEIPLSYYTGILGMVGLTAYVGFYDICSPKKGERVFVSAAAGAVGQIVGQFAKQFGCYVVGSAGSDEKVNLLKTKFGFDEAFNYKKEPDLTKALKRYFPEGIDIYFENVGGPMLEAVLHNMRIKGRIAACGMISQYNLEKPE---GVHNLFLIVGKRIRLEGFLVFDHYGSYPEFEEKVVQLIKEEKIKYLEDIVEGLENAPAALIGLFEGRNVGKQVVVVS---

General information: TITO was launched using: RESULT: Template: 4NH4.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 : 1792 -193551 -108.01 -608.65 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -108.01 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_4NH4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NH4-query.scw PDB file : Tito_Scwrl_4NH4.pdb: