Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRL-QFHKKLPF--HDLNIDYTFEK-PVTAMMGASGSGKSTLFQCVSGLKSIDGGIIEFDGTPWDDSNISLHLPVTERKVGYLFQNLALFPNMNVYENIAFGLKVKKKKKKEQAEIQQQVRKMSDYLQISHLLYSSVQKLSGGEKQRVAMARAMITEPKLLLLDEPFNGLDEETRLICMKLVGQMAKDFHIPVIFVTHYASEAEMMTEEILVMREGRLEKRKS
2IT1 Chain:A ((4-216))
-IKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTEL------PPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKA---PREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVG-
General information:
TITO was launched using:
RESULT:
Template:
2IT1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127697 for 1666 contacts (-76.6/contact) +
2D Compatibility (PS) -22629 + (NN) -7480 + (LL) 864
1D Compatibility (HY) -19600 + (ID) 4150
Total energy: -180692.0 ( -108.46 by residue)
QMean score : 0.572
(partial model without unconserved sides chains):
PDB file :
Tito_2IT1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IT1-query.scw
PDB file :
Tito_Scwrl_2IT1.pdb
: