Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGAQMNKIEVKNVFKIFGPRADAALALIRQGRSKGEVLAQTGCVVGVNDLSLSIGAGEIFVIMGLSGSGKSTLVRHFNRLIDPTSGEILVDGEDILRYDMEALRQFRRRKISMVFQSFGLLPHKSVLDNVAYGLKVRGESRAQCHERALHWIATVGLKGYEKSYPHQLSGGMRQRVGLARALAADTEIILMDEAFSALDPLIRADMQDQLLELQKTLHKTIVFITHDLDEAVRIGNRIAILKDGQLIQVGTPREILHQPADDYVDRFVQRRVANL
2IT1 Chain:A ((9-241))
-------------------------------------IVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPP------KDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNF
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) -155793 for 1870 contacts (-83.3/contact) +
2D Compatibility (PS) -25044 + (NN) -8402 + (LL) 3408
1D Compatibility (HY) -24400 + (ID) 4200
Total energy: -214431.0 ( -114.67 by residue)
QMean score : 0.577
(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
: