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



Input alignment information:
Query sequence----MKIYGIYMDRPLSQEENERFMSFISPEKREKCRRFYHKEDAHRT----LLGDVLVRSVISRQYQLDKSDIRF----------------STQEYGKPCIPDLPDAHFNISHSGRWVICAFDSQPIGID---IEKTKPISLEIAKRFFS------------KTEYSDLLAKDKDEQTDYF--YHLWSMK-----ESFIKQEGKGLSLPLDSFSVRLHQD--GQVS-----IELPDSHSPCYIKTYEVDPGYKMAVCAAHPDFPEDITMVSYEELL--------
4KXR Chain:C ((8-298))TDITVNVDGFWMLQALLD------IRHVAPELR--CRPYVHPGMAVMREQGIVVNDAVNEQVAARMKVLAAPDLEVVALLSRGKLLYGVIDDENQPPGSRDIPDNEFRVVLARRGQHWVSAVRVGNDITVDDVTVSDSASIAALVMDGLESIHHADPAAINAVNVPMEEMLEATKSWQESGFNVFSGGDLRRMGISAATVAALGQALSDPAAEVAVYARQYRDDAKGPSASVLSLKDG-SGGRIALYQQAREAWLAICPATPQLVQVGVKTVLDTLPYGEWKTHS


General information:
TITO was launched using:
RESULT:

Template: 4KXR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 905 -95922 -105.99 -446.15
target 2D structure prediction score : 0.50
Monomeric hydrophicity matching model chain C : 0.66

3D Compatibility (PKB) : -105.99
2D Compatibility (Sec. Struct. Predict.) : 0.50
1D Compatibility (Hydrophobicity) : 0.66
QMean score : 0.199

(partial model without unconserved sides chains):
PDB file : Tito_4KXR.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4KXR-query.scw
PDB file : Tito_Scwrl_4KXR.pdb: