Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQHTIDQTQVIHTKPSALSYKEKTLVMGILNVTPDSFSDGGKYDSLDKALLHAKEMIDDGAHIIDIGGESTRPGAECVSEDEEMSRVIPVIERITKELGVPISVDTYKASVADEAVKAGASIINDIWGAKHDPKMASVAAEHNVPIVLMH--NRPER-----NYNDLLPDMLSDLMESVKIAVEAGVDEKNIILDPGIGFAKTYHDNLAVMNKLEIFSGLGYPVLLATSRKRFIGRVLDLPPEERAEGTGATVCLGIQKGCDIVRVHDVKQIARMAKMMDAMLNKGGVHHG
3TYU Chain:A ((20-278))
--------------------------VMGILNVTPDS------HNNLDQALQHAQRMLSAGATLIDIGGESTRPGAAEVSEQEELDRVVPVVEALAQRFDVWLSVDTSKAAVITESAHAGAHLINDIRSLQ-EPGALEAAAKTGLPVCLMHMQG----MQHSPYYDDLMTDINRFFQHHIERCVAAGIAKNKLLLDPGFGFGKNLAHNYQLLAHLSELHHFELPLLVGMSRKSMVGQLLNVPPQQRVIGSVACAVIAAMQGAQIIRVHDVKETVEAMCIVEATRSA------
General information:
TITO was launched using:
RESULT:
Template:
3TYU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133278 for 1994 contacts (-66.8/contact) +
2D Compatibility (PS) -27060 + (NN) -19814 + (LL) 1940
1D Compatibility (HY) -20000 + (ID) 5100
Total energy: -203312.0 ( -101.96 by residue)
QMean score : 0.576
(partial model without unconserved sides chains):
PDB file :
Tito_3TYU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TYU-query.scw
PDB file :
Tito_Scwrl_3TYU.pdb
: