Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMINLQDVSKVYKSKHGDVNAVQNVSLSIKKGEIFGIIGYSGAGKSSLIRLLNGLEKPTSGTVEVAGTKINEVNGRGLRKARHEISMIFQHFNLLWSRTVRDNI-MFPLEIAGVKKSERIKRANELIKLVGLEGKEKSYPSQLSGGQKQRVGIARALANNPKVLLCDEATSALDPQTTDSILDLLSDINERLGLTIVLITHEMHVIRKICNRVAVMENGKVVEEGEVLDVFKNPKEQMTKRFVQQVTEPEETKETLQHLLDDTASGKMVQLTFVGESAEQPLITEMIRNFNVSVNILQGKISQTKDGAYGSLFIHIDGDEEEVQNVIRFINDKQVKAEVITNV
4U00 Chain:A ((4-241))IIRIRNLHKWF----GPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVK--DDRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQG-GMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFLQRV-------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4U00.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1271 -59362 -46.70 -250.47
target 2D structure prediction score : 0.66
Monomeric hydrophicity matching model chain A : 0.76

3D Compatibility (PKB) : -46.70
2D Compatibility (Sec. Struct. Predict.) : 0.66
1D Compatibility (Hydrophobicity) : 0.76
QMean score : 0.510

(partial model without unconserved sides chains):
PDB file : Tito_4U00.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4U00-query.scw
PDB file : Tito_Scwrl_4U00.pdb: