Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRLQTRFAQLKQENRAALVTFVTAGDPDYASSLEILKGLPAAGADVIELGMPFTDPMADGPAIQLANIRALDGGQTLARTLQMVREFRSGDSETPLVLMGYFNPIHHYGVERFIAEAKEVGVDGLIVVDLPPEHNEDLCHPAQAAGIDFIRLTTPTTGDQRLPTVLEGSSGFVYYVSVAGVTGANAATLEHVEEAVARLRRHTDLPIGIGFGIRSAEHAAAVAR-LADGVVVGSALIDRIAKARDNAQAVKDVLALCGELAEGVRNAR
1GEQ Chain:A ((1-248))
------MFK------DGSLIPYLTAGDPDKQSTLNFLLALDEY-AGAIELGIPFSDPIADGKTIQESHYRALKNGFKLREAFWIVKEFRRHS-STPIVLMTYYNPIYRAGVRNFLAEAKASGVDGILVVDLPVFHAKEFTEIAREEGIKTVFLAAPNTPDERLKVIDDMTTGFVYLVSLY-----E--IPKTAYDLLRRAKRICRNKVAVGFGVSKREHVVSLLKEGANGVVVGSALVKIIGEK--GREATEFLKKKVEELLGI-----
General information:
TITO was launched using:
RESULT:
Template:
1GEQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -181780 for 2048 contacts (-88.8/contact) +
2D Compatibility (PS) -27488 + (NN) -21703 + (LL) 1744
1D Compatibility (HY) -19600 + (ID) 4800
Total energy: -253627.0 ( -123.84 by residue)
QMean score : 0.583
(partial model without unconserved sides chains):
PDB file :
Tito_1GEQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1GEQ-query.scw
PDB file :
Tito_Scwrl_1GEQ.pdb
: