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



Input alignment information:
Query sequenceMNSLSEANTKFMFDLFQQFRKSKENNIFYSPISITSALGMVLLGAKDNTAQQISKVLHFDQVTENTTEKAATYHVDRSGNVHHQFQKLLTEFNKSTDAYELKIANKLFGEKTYQFLQEYLDAIKKFYQTSVESTDFANAPEESRKKINSWVESQTNEKIKNLFPDGTIGNDTTLVLVNAIYFKGQWENKFKKENTKEEKFWPNKNTYKSVQMMRQYNSFNFALLEDVQAKVLEIPYKGKDLSMIVLLPNEIDGLQKLEEKLTAEKLMEWTSLQNMRETCVDLHLPRFKMEESYDLKDTLRTMGMVNIFNGDADLSGMTWSHGLSVSKVLHKAFVEVTEEGVEAAAATAVVVVELSSPSTNEEFCCNHPFLFFIRQNKTNSILFYGRFSSP
3NDA Chain:B ((5-377))-AKLTKANNRFGLRLLRALPSGPEKNVFFSPYSVSTAMGMAFAGARGQTQQELSQGLGFSDVDLTD------------AGVLDAYTHHTERLKSTPSNSTLDVANAAAIQRTLALLNSYESALQSSFGAELHKVDFAGEPQAAVDFVNNWVKRKTHDKIEKLFNE-PLDPDTLLVLLNAIYFKGEWNTAFVKEHTEKRQFFNGGVTPVEVDTMRLEARIKYRFFDDLQVEVVELPYRGLDYTMAILLPKENTGVEGLKQNLTIDRFQNYLS--DLRERKITVLLPKFKLETKYSLKAPLQSLGIKQIFESGADLSGIND-GSLRVSAVEHKAVVEVNEEGTVAAATTGVVIVPY-----PVVFRVDHPFLFFIRNTRTDDIFFVGQVNKL


General information:
TITO was launched using:
RESULT:

Template: 3NDA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2240 -258290 -115.31 -701.88
target 2D structure prediction score : 0.58
Monomeric hydrophicity matching model chain B : 0.81

3D Compatibility (PKB) : -115.31
2D Compatibility (Sec. Struct. Predict.) : 0.58
1D Compatibility (Hydrophobicity) : 0.81
QMean score : 0.480

(partial model without unconserved sides chains):
PDB file : Tito_3NDA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3NDA-query.scw
PDB file : Tito_Scwrl_3NDA.pdb: