Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLKDKNIFITGSSRGIGLAIAHQFAQLGANIVLNGRSEISEDLIAE-FADYGVKVIAISGDVSSFEDANRMIKEAIASLGSVDVLVNNAGITNDKLMLKMTVEDFESVLKINLTGAFNMTQSVLKPMTKARQGAIINISSVVGLTGNVGQANYAASKAGLIGFTKSVAREVAARGIRVNAIAPGFIESDMTDVIPEKMQEAILAQIPMKRIGKGKEVAQVASFLAEQ--EYLTGQVIAIDGGMTMQ
4BO3 Chain:C ((23-268))
MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGITRD--------DEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVG---NAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS
General information:
TITO was launched using:
RESULT:
Template:
4BO3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139251 for 1908 contacts (-73.0/contact) +
2D Compatibility (PS) -25060 + (NN) -5714 + (LL) 1196
1D Compatibility (HY) -17600 + (ID) 5500
Total energy: -191929.0 ( -100.59 by residue)
QMean score : 0.636
(partial model without unconserved sides chains):
PDB file :
Tito_4BO3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BO3-query.scw
PDB file :
Tito_Scwrl_4BO3.pdb
: