Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLSRQNSKLIQAFIAIILFFSLGLVIKYWPDTVIAFDQNIQESVRGQLPNLSTRFFKLITVIGNTVSQIAIAIMSVTFCYLKKWYPQARFI--------AVNAIISGICILSLKLIFQRVRPTLTHLVFAGGYSFPSGHSMGTFMIFGSIIILL--------QYYMPKSIWKLLCQGI-LGLLIFLIGLSRIYLGVHFPTDVLAGFILAYGILNLTA-------YIFLAKDWLKKVK--
3NDH Chain:A ((5-225))
HHHHEFDHLKDLFR----------------------DRLIIDKVQRRLPYMFQLAELESSRAGKVGMEVGSLRERIISSLLIYKFGEKNVETDLPITEPEIDVKLFG-SPISIKTITGK-EPAGVKLIWTVD-ATKARQFLETWHPRFDLILVHINWSSLGGVYYIPDYVQQRIFDEIGKDKYIKLPKQGTNPRGVEISNEALKEIMTDEETMSIKIEWKKTNVQYNAFKRWVDLWSEG
General information:
TITO was launched using:
RESULT:
Template:
3NDH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -198290 for 1316 contacts (-150.7/contact) +
2D Compatibility (PS) -19227 + (NN) 4673 + (LL) 2848
1D Compatibility (HY) -400 + (ID) 1400
Total energy: -211796.0 ( -160.94 by residue)
QMean score : 0.300
(partial model without unconserved sides chains):
PDB file :
Tito_3NDH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NDH-query.scw
PDB file :
Tito_Scwrl_3NDH.pdb
: