Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTHRLHADAVTLRRDARTVSRNLSLAIPEGSFSVIVGPNACGKSTLLAALSRLLAPAEGRVVLDGRDIHSLPGREVARRLGLLPQSALAPDGITVAELVARGRYPHQSFLRQWSPADERAVAAALRATRVDGLAERPLDALSGGQRQRVWIAMVLA-----QETP-LLLLDEPTTYLDIVHQIELLELLAELNRQG-RTIVAVLHDLNQACRYASHLIAMRDGAILAEGAPAHIFTERLVEEVFGLRSLIIADPVSGTPLLVPRGIAADAPG
4G1U Chain:C ((28-265))
--------------------NDVSLHIASGEMVAIIGPNGAGKSTLLRLLTGYLSPSHGECHLLGQNLNSWQPKALARTRAVMRQYSELAFPFSVSEVIQMGRAPYG------GSQDRQALQQVMAQTDCLALAQRDYRVLSGGEQQRVQLARVLAQLWQPQPTPRWLFLDEPTSALDLYHQQHTLRLLRQLTRQEPLAVCCVLHDLNLAALYADRIMLLAQGKLVACGTPEEVLNAETLTQWYQADLGVSRHPESALPQIYLR--------
General information:
TITO was launched using:
RESULT:
Template:
4G1U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -184756 for 1736 contacts (-106.4/contact) +
2D Compatibility (PS) -25549 + (NN) -16693 + (LL) 2572
1D Compatibility (HY) -17600 + (ID) 4100
Total energy: -246126.0 ( -141.78 by residue)
QMean score : 0.595
(partial model without unconserved sides chains):
PDB file :
Tito_4G1U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4G1U-query.scw
PDB file :
Tito_Scwrl_4G1U.pdb
: