Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAIILPDLPYAYDALEPHIDAETMTLHHDKHHATYVANANAALEKHPEI-GEDLEALLADVSQIPEDIRQAVINNGGGHLNHALFWELMSPEE-TQISQELSEDINATFGSFEDFKAAFTAAATGRFGSGWAWLVVNAEGKLEVLSTANQDTPIME------GKKPILGLDVWEHAYYLNYRNVRPNYIKAFFEIINWNKVNELYQAAKA
3KKY Chain:A ((2-211))
-AYTLPQLPYAYDALEPHIDARTMEIHHTKHHQTYVDNANKALEGTE-FADLPVEQLIQQLDRVPADKKGALRNNAGGHANHSMFWQIMGQ--ANQPSGELLDAINSAFGSFDAFK-KFEDAAKTRFGSGWAWLVVK-DGKLDVVSTANQDNPLMGEAIAGVSGTPILGVDVWEHAYYLNYQNRRPDYLAAFWNVVNWDEVSKRYAAAK-
General information:
TITO was launched using:
RESULT:
Template:
3KKY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -116262 for 1544 contacts (-75.3/contact) +
2D Compatibility (PS) -20522 + (NN) -8208 + (LL) 952
1D Compatibility (HY) -20800 + (ID) 5700
Total energy: -170540.0 ( -110.45 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_3KKY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KKY-query.scw
PDB file :
Tito_Scwrl_3KKY.pdb
: