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



Input alignment information:
Query sequenceMCNKASSDLTDYVIRQLGRTKNKRYEAYVVSRIIHLLNDFTLKFVTQQFVRLS--NKKIALTDLYFPQLGIHIEVDEGHHFLRNSKMEYSLNQIDEPLYSISQTESDAMREEDIISITGHKIFRVNVFKNQEGQPQNLENIHQQIDKIIEEIKTAKNKLIEASTFKEWNIETEYNPQTYIDLGRISLADNVVLKTTKDVCNCFGYSYKN-YQRGGALH--------PYKKDTLIWFPRLYENKDWINTISPDGLTITEKSTDETITLKKLEEWKNGPQKRIVFARVKDNLSSRAMYRFMGLYEFQK-ADLKDGAVWKRVKCEVQTYSPKETKC
4OQ2 Chain:A ((8-300))---HEFMSKTDYILRALSKISHKRWEHYIINRVVHTLDDPDIEFVCQQCIRKEGHLGKIYLADLLFPQLNLYLEIDEAHHDSNDA------------------RKADAVRRLDIVEATGFQEERIPASN------ITLSEVNKLVDEFVRLVKDKKEELENQGLFFRWDYDERYSAKKHINTGYMAVGPNSVFRYHRDALQCFGYRREGHHQSGGWALPAEVAQSIGLTGRVMVWFPRLYEAGEWKNALSADGNKITEQSLNATR------NYQETWDYRIVMAHSRDELN-RTLYRFLGVFAIDVDKSSDEVKVFSRVYSRVNVYR------


General information:
TITO was launched using:
RESULT:

Template: 4OQ2.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 : 1254 32366 25.81 115.18
target 2D structure prediction score : 0.64
Monomeric hydrophicity matching model chain A : 0.77

3D Compatibility (PKB) : 25.81
2D Compatibility (Sec. Struct. Predict.) : 0.64
1D Compatibility (Hydrophobicity) : 0.77
QMean score : 0.359

(partial model without unconserved sides chains):
PDB file : Tito_4OQ2.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4OQ2-query.scw
PDB file : Tito_Scwrl_4OQ2.pdb: