Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPGRWSAETRLALVRRARRMNRALAQAFPHVY----CELDFTTPLELAVATILSAQSTDKRVNLTTPALFARYRTARDYAQADRTELESLIRPTGFYRNKAASLIGLGQALVERFGGEVPATMDKLVTLPGVGRKTANVILGNAFGIPGITVDTHFGRLVRRWRWTTAE-DPVK----VEQAVGELIERKEWTLLSHRVIFHGRRVCHARRPACGVCVLAKDCPSFGLGPTEPLLAAPLVQGPETDHLLALAGL
1KG2 Chain:A ((3-216))
----------------ASQFSAQVLDWYDKYGRKTLPWQIDKTPYKVWLSEVMLQQTQVATVIPYFERFMARFPTVTDLANAPLDEVLHLWTGLGYY-ARARNLHKAAQQVATLHGGKFPETFEEVAALPGVGRSTAGAILSLSLGKHFPILDGNVKRVLARCYAVSGWPGKKEVENKLWSLSEQVTPAVGVERFNQAMMDLGAMICTRSKPKCSLCPLQNGCIAAANNSW-----------------------
General information:
TITO was launched using:
RESULT:
Template:
1KG2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117047 for 1564 contacts (-74.8/contact) +
2D Compatibility (PS) -21700 + (NN) -12672 + (LL) 3096
1D Compatibility (HY) -10000 + (ID) 2150
Total energy: -160473.0 ( -102.60 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_1KG2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KG2-query.scw
PDB file :
Tito_Scwrl_1KG2.pdb
: