Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAFQIANKTVGKDAPVFIIAEAGINHDGKLDQAFALIDAAAEAGADAVKFQMFQADRMYQKDPGLYKTAAGKDVSIFSLVQSMEMPAEWILPLLDYCREKQVIFLSTVCDEGSADLLQSTSPSAFKIASYEINHLPLLKYVARLNRPMIFSTAG-AEISDVHEAWRTIRAEGNNQIAIMH-CVAKYP-APPEYSNLSVIPMLAAAFPEAVIGF-SDHSEHPT----EAPCAAVRLGAKLIEKHFTIDKNLPGADHSFALNPDELKEMVDGIRKTEAELKQGITKPVSEKLLGSSYKTTTAIEGEIRNFAYRGIFTTAPIQKGEAFSEDNIAVLRPGQKPQGLHPRFFELLTSGVRAVRDIPADTGIVWDDILLKDSPFHE 3NVT Chain:A ((131-380)) ---VTVKGLPIGNG-EPVFVF--GPCSVESYEQVAAVAESIKAKGLKLIRGGAFKPRTS----------PYD--------FQ--GLGLEGLKILKRVSDEYGLGVISEIVTPADIEVALDY-VDVIQIGARNMQNFELLKAAGRVDKPILLKRGLSATIEEFIGAAEYIMSQGNGKIILCERGIRTYEKATRNTLDISAVPILKKET-HLPVMVDVTHSTGRKDLLLPCAKAALAIEADGVMAEVHPDPAVALSDSAQQMDIPEFEEFWNAILASNLV-------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NVT.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 : 1424 -95466 -67.04 -394.49 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -67.04 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_3NVT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NVT-query.scw PDB file : Tito_Scwrl_3NVT.pdb: