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



Input alignment information:
Query sequenceMGMSAISTETLSLGYGDAVIIDELNLTIPKGEITVFIGSNGCGKSTLLRSLARLMKPRGGSVLLEGRAIAKLPTKEVAKELAILPQGPSAPEGLTVHQLVKQGRYPYQNWLKQWSKEDE---EAVERALKATKLEDMADRAVDSLSGGQRQRAWIAMTLAQETDIILLDEPTTYLDMTHQIEILDLLFELNEKEDRTIVMVLHDLNLACRYAHHLVAIKDKRIYAEGRPEEVITCDLVQNVFSMNCQVTQDPLFGTPLCIPHGRGRCIVQEAAFTSHG
3PUW Chain:A ((2-221))---ASVQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAE--RGVGMVFQSYALYPHLSVAENMSFG-------LKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLEL----------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3PUW.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 : 1084 -78023 -71.98 -359.55
target 2D structure prediction score : 0.59
Monomeric hydrophicity matching model chain A : 0.72

3D Compatibility (PKB) : -71.98
2D Compatibility (Sec. Struct. Predict.) : 0.59
1D Compatibility (Hydrophobicity) : 0.72
QMean score : 0.502

(partial model without unconserved sides chains):
PDB file : Tito_3PUW.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3PUW-query.scw
PDB file : Tito_Scwrl_3PUW.pdb: