Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence VCRALIP-ELQDADDSDFDVCRINGGITNISDGRFLSFAVAKVSKKDQSVVVRVFGPATEGVIDRDREIQATCHLSRAGFCPELKGVFKNGIIQTFVTARTLTPEDFLDDAVVAKVAKELRRLHQQEVPGEKE-SMVWTEINRYFELASAVTKFESPEDQRKLEAVSFDELRQEINTLKEIGARLKGPVVYAHNDLLPGNVMV----DAQGDKCYYFIDFEYSGYNYRGFDIGTHFNE---------YAGFDCDFCAYPSKDRQLNFLRHYLRP--DDPEKATHEE----LEELFVEANFYALAAHITWSAWAIVQATSSAAIDFDYMSYFFKRMKMYREQKAKFLPVVRGFLAGKSK 2CKQ Chain:A ((46-388)) -CKEFLPGAWRGLREDEFHISVIRGGLSNMLFQCSLPDTTATLGDEPRKVLLRLYG-------AMVLESVMFAILAERSLGPKLYGIFPQGRLEQFIPSRRLDTEELSLPDISAEIAEKMATFHGMKMPFNKEPKWLFGTMEKYLKEVLRI-KFTEESRIKKLHKLLSYNLPLELENLRSLLESTPSPVVFCHNDCQEGNILLLEGRENS-KQKLMLIDFEYSSYNYRGFDIGNHFCEWMYDYSYEKYPFFRANIRKYPTKKQQLHFISSYLPAFQNDFENLSTEEKSIIKEEMLLEVNRFALASHFLWGLWSIVQAKIS-SIEFGYMDYAQARFDAYFHQKRKL-------------

General information: TITO was launched using: RESULT: Template: 2CKQ.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 : 1363 5205 3.82 16.63 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 3.82 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_2CKQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ckq-query.scw PDB file : Tito_Scwrl_2CKQ.pdb: