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



Input alignment information:
Query sequenceMHKGWSGHFFCAQNEKGSEKMAEITLEFDTIAAISTP--PGEGAISIVRLSGDQAVQLADKVYQSGNKRLSEVPSHTIHYGHIVDPKSNQLVDEVMVSVMRAPKTFTREDVVEINCHGGIVVVNQILQLLLREGARLAEPGEFTKRAFLNGRVDLSQAEAVMDLIRAKTDKAMGLALNQLDGNLSALIRSLRQEILETLAQVEVNIDYPEYDDVEELTTKLLLEKAQMIQQRIQALLATSKQGKVLREGLSTAIIGRPNVGKSSLLNHLLREEKAIVTDIAGTTRDVIEEYVNVRGVPLKLIDTAGIRETEDVVERIGVERSRKALAEADLILLVLNQSEPLTAEDEQLLEATSGLKRIILLNKTDLPAQLEQEKLKKLIENEPVFSI---SVAKNDGLDRLESAISDLFFSGETGERDATYVSNTRHIALLEKASLSLEEVIAGIDSGMPVDLVQIDMTRCWDYLGEVVGDSVQDELITQLFSQFCLGK
3GEH Chain:A ((9-462))-----------------------------TIAAIATAIVPQQGSVGIVRVSGSQAIAIAQTLFDAPGKQVWE--SHRILYGYIRHPQTRQIVDEALLLLMKAPRSYTREDVVEFHCHGGIIAVQQVLQLCLESGARLAQPGEFTLRAFLNGRLDLTQAESIADLVGARSPQAAQTALAGLQGKLAHPIRQLRANCLDILAEIEARIDFEE--DLPPLDDEAIISDIENIAAEISQLLATKDKGELLRTGLKVAIVGRPNVGKSSLLNAWSQSDRAIVTDLPGTTRDVVESQLVVGGIPVQVLD--------------------QAANTADLVLLTIDAATGWTTGDQEIYEQVKHRPLILVMNKIDL---VEKQLITSLEYPENITQIVHTAAAQKQGIDSLETAILEIVQTGKVQAADMDLAINQRQAAALTQAKMSLEQVQATITQQLPLDFWTIDLRGAIQALGEITGEEVTESVLDRIFSRFCIGK


General information:
TITO was launched using:
RESULT:

Template: 3GEH.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 : 2020 47521 23.53 110.77
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain A : 0.82

3D Compatibility (PKB) : 23.53
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.82
QMean score : 0.524

(partial model without unconserved sides chains):
PDB file : Tito_3GEH.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3GEH-query.scw
PDB file : Tito_Scwrl_3GEH.pdb: