Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKTKIMGILNVTPDSFSDGGKFNNVETAINRVKAMIDEGADIIDVGGVSTRPGHEMVTLEEELNRVLPVVEAIVGFDVKISVDTFRSEVAEACLKLGVDMINDQWAGLYDHRMFQIVAKYDAEIILMH----NGNGNRDEP----VVEEMLTSLLAQAHQAKIAGIPSNKIWLDPGIGFAKT-RNEEAEVMARLDELVATE-----YPVLLATSRKRFTKEMMGYDTTPVERDEVTAATTAYGIMKGVRAVRVHNVELNAKLAKGIDFLKENENARHNLS
2Y5S Chain:A ((22-274))
--RPLVMGILNATP----------ARDDALRRAERMIAEGADLLDIGGESTRPGAPPVPLDEELARVIPLVEALRPLNVPLSIDTYKPAVMRAALAAGADLINDIW-GFRQPGAIDAVRDGNSGLCAMHMLGEPQTMQVGEPDYGDVVTDVRDFLAARAQALRDAGVAAERICVDPGFGFGKAVVDDNYALLAALPDTAPARPDGRAYPILAGMSRKSMLGAVIG-GKPPLERVAASVAAALCAVERGAAIVRVHDV------------------------
General information:
TITO was launched using:
RESULT:
Template:
2Y5S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149286 for 1912 contacts (-78.1/contact) +
2D Compatibility (PS) -25528 + (NN) -17219 + (LL) 1716
1D Compatibility (HY) -14400 + (ID) 4300
Total energy: -209017.0 ( -109.32 by residue)
QMean score : 0.758
(partial model without unconserved sides chains):
PDB file :
Tito_2Y5S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2Y5S-query.scw
PDB file :
Tito_Scwrl_2Y5S.pdb
: