Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREIDTCIVGATGLVGQTMLKVLEEYDFPVGRLKLLASKRSAGKVCVFKKKKHTVQELTETSFEGYDLALFSAGASVSKEFAPIARSQGLFVIDNSSAWREDSDIPLIVPEVNLEDYTL-NRLIANPNCSTIQAVLPLKALQEAFGIQRVNYSTYQAVSGSGQKGI----EDLHRTQNDE-EPV-----LYP-------YNISQTVIPEIDQPLENGYTKEEQKMINETRKILHQPALPVSATCVRVPIENGHGVSVAVQLQKEFTTEEIRECLSQFPGIQLEDDLAAHKYPTSILARGTDMVYVGRIRKDTSLENGLLFYTTADNIRKGAAANAVQIAAALMQKIAEVAR 2GZ3 Chain:D ((6-344)) ------AVVGATGAVGAQMIKMLEESTLPIDKIRYLASARSAGKSLKFKDQDITIEETTETAFEGVDIALFSAGSSTSAKYAPYAVKAGVVVVDNTSYFRQNPDVPLVVPEVNAHALDAHNGIIACPNCSTIQMMVALEPVRQKWGLDRIIVSTYQAVSGAGMGAILETQRELREVLNDGVKPCDLHAEILPSGGDKKHYPIAFNALPQIDVFTDNDYTYEEMKMTKETKKIMEDDSIAVSATCVRIPVLSAHSESVYIETKEVAPIEEVKAAIAAFPGAVLEDDVAHQIYPQAINAVGSRDTFVGRIRKDLDAEKGIHMWVVSDNLLKGAAWNSVQIAETLHER------

General information: TITO was launched using: RESULT: Template: 2GZ3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1783 -57897 -32.47 -180.36 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain D : 0.83 3D Compatibility (PKB) : -32.47 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_2GZ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GZ3-query.scw PDB file : Tito_Scwrl_2GZ3.pdb: