Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequence-----------------MGDVN-----------YFLTFGAGFLSFISPCCLPLYPAFLSYITGVSMDDV--KTEKLLLQKRSLFHTLCFLLGFSVIFIALGY-------GTSFIGSLFR------DYHDAIRQIGAL-----------LIILFG----FITLGVFRPEAMMKERRIHF----KHKPSGFLGSVLIGMAFAAGWTPCTGPILAAVITLAGTN----------PGSAVPYMMLYVLGFAVPFLLLSFFITKLKWIRKN--QLFIMKAGGVLMIVIGVLLFFNWMSL------IIILLSDLFGGFTGF--
4RKS Chain:A ((21-337))TYRSIGSTAYPTIGVVLLGGIANPVTRTPLHTSAGIAYSDSCGSIRSETRIYADEATHIYFNGTESTDDNRSVRRVLDRYSSVFEEAFGTKTVSYSSQNFGILSGSSDAGAASIGAAILGLKPDLDPHDVENDLRAVSESAGRSLFGGLTITWSDGFHAYTEKILDPEAFSGYSIVAFAFDYQRNPSDVIHQNIVRSDLYPARKKHADEHAHMIKEYAKTNDIKGIFDLAQEDTEEYHSILRGVGVNVIRENMQKLISYLKLIRKDYWNAYIVTGGSNVYVAVESENADRLFSIENTFGSKKKMLRIVGGAWHRRPE


General information:
TITO was launched using:
RESULT:

Template: 4RKS.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 : 1157 -67512 -58.35 -287.28
target 2D structure prediction score : 0.47
Monomeric hydrophicity matching model chain A : 0.63

3D Compatibility (PKB) : -58.35
2D Compatibility (Sec. Struct. Predict.) : 0.47
1D Compatibility (Hydrophobicity) : 0.63
QMean score : 0.221

(partial model without unconserved sides chains):
PDB file : Tito_4RKS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4RKS-query.scw
PDB file : Tito_Scwrl_4RKS.pdb: