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
4NZ6 Chain:A ((7-259))
--------LLMAYSGKGYHGMQR-----QFKTIEDDLVSALVRSGCIPENHGEDMRKMSFQRCARTDKGVSAAGQVVSLKV---WLIDDILEKINSHLPS-HIRILGLKRVTGGFNSKNRCDARTYCY-LLPTFAFAHKDRDVQDETYR-LSAETLQQVNRLLACYKGTHNFHNFTSQKGPQDPSACRYILEMYCEEPFVREGLEFAVIRVKGQSFMMHQIRKMVGLVVAIVKGYA-PESVLE-RSWGTEKVDVPKAPGLGLVLERVHF
General information:
TITO was launched using:
RESULT:
Template:
4NZ6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124183 for 1661 contacts (-74.8/contact) +
2D Compatibility (PS) -24000 + (NN) -4602 + (LL) 1812
1D Compatibility (HY) -16800 + (ID) 3150
Total energy: -170923.0 ( -102.90 by residue)
QMean score : 0.368
(partial model without unconserved sides chains):
PDB file :
Tito_4NZ6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NZ6-query.scw
PDB file :
Tito_Scwrl_4NZ6.pdb
: