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



Input alignment information:
Query sequenceMQKYQILGKKGEGTFSEVLRAQDIKTQQYVAIKCMKKAFKSKEQVNRLREIQAVRRLQPHPNIVDLVEVLFDRSTGRLALVLELMDMSLYELIKGRKQYLGEEKVRSYMYQLLKGLDHAHRIGVFHRDIKPENLLIDAEGHLKIADFGSCKGVYSKLPLTEYISTRWYRAPECLLTDGYYNYKMDLWSAGCVFFEIIALFPLFPGSNELDQVHRIHNVLGTPPTEILDRLKKFGTHMDYDFPKKQGTGLAKLLPHVSADALDLMKKLLTYDEEQRCTAKEALRHAYFSKLREADKKSHRPKHSASISRPTTVTDDAHASMGLGSSPRKTTNGMPSLNGTLTASRKLPVIDGKSPTKSSTLVSNQSTLHQVHGAVATSASGEDLVARSLPKLI
2QKR Chain:A ((20-307))MEKY--LEKVGEG---VVYKAKDSQ-R-IVALKRI---------STAIREISLLKELH-HPNIVSLIDVI--HSE-CLTLVFEFMEKDLKKVLDENKTGLQDSQIKIYLYQLLRGVAHCHQHRILHRDLKPQNLLINSD-ALKLADFGLARAF--GIPVR--VVTLWYRAPDVLMGSKKYSTSVDIWSIGCIFAEMITGKPLFPGVTDDDQLPKIFSILGTPNPREWPQVQELPLWKQRTFQVFEKKPWSSIIPGFCQEGIDLLSNMLCFDPNKRISARDAMNHPYFKDL------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2QKR.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 : 1283 -170129 -132.60 -641.99
target 2D structure prediction score : 0.52
Monomeric hydrophicity matching model chain A : 0.75

3D Compatibility (PKB) : -132.60
2D Compatibility (Sec. Struct. Predict.) : 0.52
1D Compatibility (Hydrophobicity) : 0.75
QMean score : 0.447

(partial model without unconserved sides chains):
PDB file : Tito_2QKR.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2QKR-query.scw
PDB file : Tito_Scwrl_2QKR.pdb: