Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIRFDNVSYTYQKGTPYQHQAIHDVNTEFEQGKYYAIVGQTGSGKSTLIQNINALLKPTTGTVTVDDITITHKTKDKYIRPVRKRIGMVFQ----FPESQLFEDTVEREMIFGP-KNFKMNLDEAKNYAHRLLMDLGFSRDVMSQSPFQMSGGQMRKIAIVSILAMNPDIIVVDEPTAGLDPQSKRQVMRLLKSLQTDENKAIILISHDMNEVARYADEVIVMKEGSIVSQTSPKELFKDKKKLADWHIGLPEIVQLQYDFEQKYQTKLKDIALTEEAFVSLYKEWQHEK
3C41 Chain:K ((17-226))
--------------------EVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINL--KAKDTNLNKVREEVGMVFQRFNLFPHM-----TVLNNITLAPMKVRKWPREKAEAKAMELLDKVGL-KDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQL-ANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLF----------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3C41.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120765 for 1607 contacts (-75.1/contact) +
2D Compatibility (PS) -22457 + (NN) -11732 + (LL) 6448
1D Compatibility (HY) -18000 + (ID) 3500
Total energy: -170006.0 ( -105.79 by residue)
QMean score : 0.527
(partial model without unconserved sides chains):
PDB file :
Tito_3C41.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C41-query.scw
PDB file :
Tito_Scwrl_3C41.pdb
: