Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKIQQLQHHFGSHKVIHNFNLDISKGEIVTFIGKSGCGKSTLLNVIGGFIHPSSGRVIID-NEIKQQPSPD--CLMLFQHHNLLPWKTINDNIRIGFQ-QKISDEEINAQL----KLVDLEDRGKHFPEQLSGGMKQRVALCRAHVHKPNVILMDEPLGALDAFTRYKLQDQLVQLKHKTQSTIILVTHDIDEAIYLSDRIVLLGEGCNIISQYEITASHPRSRNDSHLLKIRNEIMETFALNHHQVEPEYYL
2IT1 Chain:A ((4-210))
-IKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREG----------------------------------------------
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) -116950 for 1547 contacts (-75.6/contact) +
2D Compatibility (PS) -21912 + (NN) -13459 + (LL) 3700
1D Compatibility (HY) -18800 + (ID) 3850
Total energy: -171271.0 ( -110.71 by residue)
QMean score : 0.518
(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
: