Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLFAQGTSLDLSHPHVMGILNVTPDSFSDGGTHNSLIDAVKHANLMINAGATIIDVGGESTRPGAAEVSVEEELQRVIPVVEAIAQRFEVWISVDTSKPEVIRESAKVGAHIINDIRSLSEPGALEAAAETGLPVCLMHMQGNPKTMQEAPKYDDVFAEVNRYFIEQIARCEQAGIAKEKLLLDPGFGFGKNLSHNYSLLARLAEFHHFNLPLLVGMSRKSMIGQLLNVGPSERLSGSLACAVIAAMQGAHIIRVHDVKETVEAMRVVEATLSAKENKRYE
3TYU Chain:B ((4-279))
MHLTARGLTLDLSRPQVMGILN------------NNLDQALQHAQRMLSAGATLIDIG---------------ELDRVVPVVEALAQRFDVWLSVDTSKAAVITESAHAGAHLINDIRSLQEPGALEAAAKTGLPVCLMHMQ-------------DLMTDINRFFQHHIERCVAAGIAKNKLLLDPGFGFGKNLAHNYQLLAHLSELHHFELPLLVGMSRKSMVGQLLNVPPQQRVIGSVACAVIAAMQGAQIIRVHDVKETVEAMCIVEATRSAK------
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) -190069 for 1911 contacts (-99.5/contact) +
2D Compatibility (PS) -26191 + (NN) -12266 + (LL) 1104
1D Compatibility (HY) -30800 + (ID) 8750
Total energy: -266972.0 ( -139.70 by residue)
QMean score : 0.625
(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
: