Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LKKWKRDHLGMVMGILNVTPDSFSDGGKYMQVEEAVARALQMAEDGAAIIDVGGISTRPGFSEVTPDEELARIIPVIKAVRTKLPDIWISVDSWRAEVAEQAILAGADMINDQWGAKKEPKIAEVAAKYDVPICLMHNR---ENAQ----YDNFLEDVKKDLLESIAIAKAASVPDEHIILDPGFGFVKTPAQNLEVLRRIDEIVALGYEVLLGTSRKSTIGLVLGTTPGDRMEGTGATTVYGFSKGCTITRVHDVLPIARMVRMTDAITGKLDITNL
3TYZ Chain:A ((20-262))
-----------VMGILNVTPDSFSDGGCHNNLDQALQHAQRMLSAGATLIDIGGESTRPGAAEVSEQEELDRVVPVVEALAQRF-DVWLSVDTSKAAVITESAHAGAHLIND-IRSLQEPGALEAAAKTGLPVCLMHMQGQPKNMQHSPYYDDLMTDINRFFQHHIERCVAAGIAKNKLLLDPGFGFGKNLAHNYQLLAHLSELHHFELPLLVGMSRKSMVGQLLNVPPQQRVIGSVACAVIAAMQGAQIIRVHDV----------------------
General information:
TITO was launched using:
RESULT:
Template:
3TYZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123622 for 2008 contacts (-61.6/contact) +
2D Compatibility (PS) -26378 + (NN) -20188 + (LL) 2696
1D Compatibility (HY) -18400 + (ID) 5150
Total energy: -191042.0 ( -95.14 by residue)
QMean score : 0.550
(partial model without unconserved sides chains):
PDB file :
Tito_3TYZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TYZ-query.scw
PDB file :
Tito_Scwrl_3TYZ.pdb
: