Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRALLFLALVGAAVAFPVDDDDKIVGGYTCQENSVPYQVSLN--SGYHFCGGSLINDQWVVSAAHCYKSRIQVRLGEHNINV-LEGNEQFVNAAKIIKHPNFDRKTLNNDIMLIKLSSPVKLNARVATVALPSSCAPAGTQCLISGWGNTLSSGVNEPDLLQCLDAPLLPQADCEASYPGKITDNMVCVGFLEGGKDSCQGDSGGPVVCNGELQGIVSWG-YGCALPDNPGVYTKVCNYVDWIQDTIAAN
2PSX Chain:A ((1-226))
-----------------------IINGSDCDMHTQPWQAALLLRPNQLYCGAVLVHPQWLLTAAHCRKKVFRVRLGHYSLSPVYESGQQMFQGVKSIPHPGYSHPGHSNDLMLIKLNRRIRPTKDVRPINVSSHCPSAGTKCLVSGWGTTKSPQVHFPKVLQCLNISVLSQKRCEDAYPRQIDDTMFCAGD-KAGRDSCQGDSGGPVVCNGSLQGLVSWGDYPCARPNRPGVYTNLCKFTKWIQETIQAN
General information:
TITO was launched using:
RESULT:
Template:
2PSX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137602 for 1894 contacts (-72.7/contact) +
2D Compatibility (PS) -24518 + (NN) -10202 + (LL) 2196
1D Compatibility (HY) -21200 + (ID) 5200
Total energy: -196526.0 ( -103.76 by residue)
QMean score : 0.736
(partial model without unconserved sides chains):
PDB file :
Tito_2PSX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PSX-query.scw
PDB file :
Tito_Scwrl_2PSX.pdb
: