Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSTIHPLPSFGLGTFRLTGQVVVDSVRSALELGYRAIDTAQIYGNEADIGRAIAESGVPRSELFLTTKVWVDNYAREKLLASLRESLEKLRTDRLDLVLIHWPAPG--NGVELGEYMAALAEAKSLGLTRRIGVSNFNIELTRQAIAAVGAGEISTNQIELSPYLQNRALTAYLEEQGIAVTSYMTLAYGK--VLKDPTLAGIAARHRATVAQVALAWAMQLGYAVIPSSTRRENLASNLLARDLRLDAEDMARIAGLERNGREVSPQGLAPAWD
1A80 Chain:A ((13-261))
-------IPQLGYGVFKVPPADTQRAVEEALEVGYRHIDTAAIYGNEEGVGAAIAASGIARDDLFITTKLWNDRHDGDEPAAAIAESLAKLALDQVDLYLVHWPTPAADNYVHAWEKMIEL---RAAGLTRSIGVSNHLVPHLERIVAATGVVP-AVNQIELHPAYQQREITDWAAAHDVKIESWGPLGQGKYDLFGAEPVTAAAAAHGKTPAQAVLRWHLQKGFVVFPKSVRRERLEENLDVFDFDLTDTEIAAIDAMD----------------
General information:
TITO was launched using:
RESULT:
Template:
1A80.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127617 for 2085 contacts (-61.2/contact) +
2D Compatibility (PS) -26902 + (NN) -12736 + (LL) 1336
1D Compatibility (HY) -16000 + (ID) 5050
Total energy: -186969.0 ( -89.67 by residue)
QMean score : 0.594
(partial model without unconserved sides chains):
PDB file :
Tito_1A80.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1A80-query.scw
PDB file :
Tito_Scwrl_1A80.pdb
: