Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLKDKNIFITGSSRGIGLAIAHQFAQLGANIVLNGRSEISEDLIAE-FADYGVKVIAISGDVSSFEDANRMIKEAIASLGSVDVLVNNAGITNDKLMLKMTVEDFESVLKINLTGAFNMTQSVLKPMTKARQGAIINISSVVGLTGNVGQANYAASKAGLIGFTKSVAREVAARGIRVNAIAPGFIESDMTDVIPEKMQEAILAQIPMKRIGKGKEVAQVASFLAEQ--EYLTGQVIAIDGGMTMQ
4BO2 Chain:A ((23-268))
MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAG-------------EWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS
General information:
TITO was launched using:
RESULT:
Template:
4BO2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -148640 for 1952 contacts (-76.1/contact) +
2D Compatibility (PS) -25070 + (NN) -7629 + (LL) 1344
1D Compatibility (HY) -16800 + (ID) 5400
Total energy: -202195.0 ( -103.58 by residue)
QMean score : 0.648
(partial model without unconserved sides chains):
PDB file :
Tito_4BO2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BO2-query.scw
PDB file :
Tito_Scwrl_4BO2.pdb
: