Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLKDKNIFITGSSRGIGLAIAHQFAQLGANIVLNGRSEISEDLIAE-FADYGVKVIAISGDVSSFEDANRMIKEAIASLGSVDVLVNNAGITNDKLMLKMTVEDFESVLKINLTGAFNMTQSVLKPMTKARQGAIINISSVVGLTGNVGQANYAASKAGLIGFTKSVAREVAARGIRVNAIAPGFIESDMTDVIPEKMQEAILAQIPMKRIGKGKEVAQVASFLAEQ--EYLTGQVIAIDGGMTMQ
4BNY Chain:A ((23-268))
MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNA---------RMKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS
General information:
TITO was launched using:
RESULT:
Template:
4BNY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -144404 for 1990 contacts (-72.6/contact) +
2D Compatibility (PS) -25224 + (NN) -6673 + (LL) 552
1D Compatibility (HY) -16800 + (ID) 5400
Total energy: -197949.0 ( -99.47 by residue)
QMean score : 0.660
(partial model without unconserved sides chains):
PDB file :
Tito_4BNY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BNY-query.scw
PDB file :
Tito_Scwrl_4BNY.pdb
: