Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLKDKNIFITGSSRGIGLAIAHQFAQLGANIVLNGRSEISEDLIAE-FADYGVKVIAISGDVSSFEDANRMIKEAIASLGSVDVLVNNAGITNDKLMLKMTVEDFESVLKINLTGAFNMTQSVLKPMTKARQGAIINISSVVGLTGNVGQANYAASKAGLIGFTKSVAREVAARGIRVNAIAPGFIESDMTDVIPEKMQEAILAQIPMKRIGKGKEVAQVASFLAEQ--EYLTGQVIAIDGGMTMQ
4BNV Chain:B ((23-268))
MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGI------------EWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVG-----GQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYM-
General information:
TITO was launched using:
RESULT:
Template:
4BNV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145673 for 1919 contacts (-75.9/contact) +
2D Compatibility (PS) -24618 + (NN) -7279 + (LL) 1428
1D Compatibility (HY) -18000 + (ID) 5350
Total energy: -199492.0 ( -103.96 by residue)
QMean score : 0.650
(partial model without unconserved sides chains):
PDB file :
Tito_4BNV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BNV-query.scw
PDB file :
Tito_Scwrl_4BNV.pdb
: