Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNAASRQPSTLPADALLAVDGVSLEYRTRSRVVRATQRVSFEVDPADRFVLLGPSGCGKSTLLKAVAGFITPSEGEIRLQGQAVRAP---GPDRIVVFQEFDQLPPWKTVRQNVLFPLRVSGQVTRDEAERRADECLEKVGLAGFAEAYPHTLSGGMKARVAIARALAMQPKILLMDEPFAALDALTRRKMQEELLRLWEEVRFTLLFVTHSIEEALVVGNRILLLSPHPGRVRAEVHGH--PFGLHSLGGEPLQAAARRIHRLLFDEGGEPTAAATLDFADIRLAH
2IT1 Chain:A ((2-233))
--------------VEIKLENIVKKFGN----FTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQN-WALYPHMTVYKNIAFPLELRKAP-REEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREG--EILQVGTPDEVYYKPKYKFVGGF---------------------------------
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) -151034 for 1845 contacts (-81.9/contact) +
2D Compatibility (PS) -25123 + (NN) -15504 + (LL) 3568
1D Compatibility (HY) -16000 + (ID) 3600
Total energy: -207693.0 ( -112.57 by residue)
QMean score : 0.549
(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
: