Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence VCRALIP-ELQDADDSDFDVCRINGGITNISDGRFLSFAVAKVSKKDQSVVVRVFGPATEGVIDRDREIQAT---------CHLSRAGFCPELKGVFKNGIIQTFVTARTLTPEDFLDDAVVAKVAKELRRLHQQEVPGEKE-SMVWTEINRYFELASAVTKFESPEDQRKLEAVSFDELRQEINTLKEIGARLKGPVVYAHNDLLPGNVMV----DAQGDKCYYFIDFEYSGYNYRGFDIGTHFNE---------YAGFDCDFCAYPSKDRQLNFLRHYLRP--DDPEKATHEE----LEELFVEANFYALAAHITWSAWAIVQATSSAAIDFDYMSYFFKRMKMYREQKAKFLPVVRGFLAGKSK 3F2R Chain:A ((39-399)) -CKEFLPGAWRGLREDEFHISVIRGGLSNMLFQCSLPDTTATLGDEPRKVLLRLYG----------------AMVLESVMFAILAERSLGPKLYGIFPQGRLEQFIPSRRLDTEELSLPDISAEIAEKMATFHGMKMPFNKEPKWLFGTMEKYLKEVLRI-KFTEESRIKKLHKLLSYNLPLELENLRSLLESTPSPVVFCHNDCQEGNILLLEGRENSEKQKLMLIDFEYSSYNYRGFDIGNHFCEWMYDYSYEKYPFFRANIRKYPTKKQQLHFISSYLPAFQ-DFENLSTEEKSIIKEEMLLEVNRFALASHFLWGLWSIVQAKIS-SIEFGYMDYAQARFDAYFHQKRKL-------------

General information: TITO was launched using: RESULT: Template: 3F2R.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 : 1289 -5407 -4.19 -17.79 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -4.19 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_3F2R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3f2r-query.scw PDB file : Tito_Scwrl_3F2R.pdb: