Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDKIKIVLVDDHEMVRLGLKSFLNLQADVEVIGEASNGLEGIKKALELRPDVVVMDLVMPEMDGVEATLALLKDWPEAAILVLTSYLDNEKIYPVIEAGAKGYMLKTSSAAEILNAIRKVARGEQAIENEVDKKIKAHDKCPALHEGLTARERDILNLLAKGYDNQRIADELFISLKTVKTHVSNILGKLNVADRTQAVVYAFQHHLVPQDDE
4YN8 Chain:A ((3-203))
LGSIRVMLIDDHPVVRAGLRSILDSFDDITVVAEASDGSNINTKGI----DVVVTDIQMPGTDGITLTRAL-ANAGGPPVLILTTYDTEADILAAVEAGAMGYLLKDAPESALHDAVVATFEGRRTLAPEVANALMQRVSKP--RQALSAREIEILQNLEQGLSNRQLAAKLFISEATVKTHLVHIYSKLGVDNRTAAITAARQQRLI-----
General information:
TITO was launched using:
RESULT:
Template:
4YN8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -99960 for 1535 contacts (-65.1/contact) +
2D Compatibility (PS) -21441 + (NN) -8320 + (LL) 668
1D Compatibility (HY) -14800 + (ID) 3850
Total energy: -147703.0 ( -96.22 by residue)
QMean score : 0.619
(partial model without unconserved sides chains):
PDB file :
Tito_4YN8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YN8-query.scw
PDB file :
Tito_Scwrl_4YN8.pdb
: