Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDFAVRYKITIEYNGSSFSGWQKQQHSAN--SIQETIENAIFNFS------GE---KVTLHCGGRTDAGVHALGQVAHFDMERKFELYKIRNAINYHLKSIPIVVLNAETVDNTFHSRFSAKKRYYEYRIINRYAPAALEAGYAWQVFNPLDVNIMREAAKYLL---GKHNLLSFRS-KDCQATNPIRTIDDI----DIVQNGSHI-YIKISAISFLHNQVRIIVGTLVEFGKSRTNPQKMLNILNQCKRNAAGVTAPPFGLYLAKIDY
4NZ7 Chain:A ((7-259))
--------LLMAYSGKGYHGMQ------QFKTIEDDLVSALVRSGCIPENHGEDMRKMSFQRCARTAKGVSAAGQVVSLKV---WLIDDILEKINSHLPS-HIRILGLKRVTGGFNSKNRCDARTYCY-LLPTFAFAHKDRDVQDETYR-LSAETLQQVNRLLACYKGTHNFHNFTSQKGPQDPSACRYILEMYCEEPFVREGLEFAVIRVKGQSFMMHQIRKMVGLVVAIVKGYA-PESVLE-RSWGTEKVDVPKAPGLGLVLERVHF
General information:
TITO was launched using:
RESULT:
Template:
4NZ7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127616 for 1631 contacts (-78.2/contact) +
2D Compatibility (PS) -23734 + (NN) -3201 + (LL) 1876
1D Compatibility (HY) -16800 + (ID) 3100
Total energy: -172575.0 ( -105.81 by residue)
QMean score : 0.389
(partial model without unconserved sides chains):
PDB file :
Tito_4NZ7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NZ7-query.scw
PDB file :
Tito_Scwrl_4NZ7.pdb
: