Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LKKWKRDHLGMVMGILNVTPDSFSDGGKYMQVEEAVARALQMAEDGAAIIDVGGISTRPGFSEVTPDEELARIIPVIKAVRTKLPDIWISVDSWRAEVAEQAILAGADMINDQWGAKKEPKIAEVAAKYDVPICLMHNREN-------AQYDNFLEDVKKDLLESIAIAKAASVPDEHIILDPGFGFVKTPAQNLEVLRRIDEIVALGYEVLLGTSRKSTIGLVLGTTPGDRMEGTGATTVYGFSKGCTITRVHDVLPIARMVRMTDAITGKLDITNL
1AJ2 Chain:A ((17-271))
-----------VMGILNVTPDSFSDGGTHNSLIDAVKHANLMINAGATIIDVGGESTRPGAAEVSVEEELQRVIPVVEAIAQRF-EVWISVDTSKPEVIRESAKVGAHIIND-IRSLSEPGALEAAAETGLPVCLMHMQGNPKTMQEAPKYDDVFAEVNRYFIEQIARCEQAGIAKEKLLLDPGFGFGKNLSHNYSLLARLAEFHHFNLPLLVGMSRKSMIGQLLNVGPSERLSGSLACAVIAAMQGAHIIRVHDVKETVEAMRVVEA----------
General information:
TITO was launched using:
RESULT:
Template:
1AJ2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138793 for 2058 contacts (-67.4/contact) +
2D Compatibility (PS) -27767 + (NN) -19880 + (LL) 1384
1D Compatibility (HY) -18800 + (ID) 5450
Total energy: -209306.0 ( -101.70 by residue)
QMean score : 0.592
(partial model without unconserved sides chains):
PDB file :
Tito_1AJ2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1AJ2-query.scw
PDB file :
Tito_Scwrl_1AJ2.pdb
: