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



Input alignment information:
Query sequenceMNKDIATPIRTKEILKKYGFSFKKSLGQNFLIDTNILNRIVDHAEVTEKTGVIEIGPGIGALTEQLAKRAKKVVAFEIDQRLLPILKDTLSPYENVTVIHQDVLKADVKSVIEEQFQDCDEIMVVANLPYYVTTPIIMKLLEEHLPLKGIVVMLQKEVAERMAADPSSKEYGSLSIAVQFYTEAKTVMIVPKTVFVPQPNVDSAVIRLILRDGPAVDVENESFFFQLIKASFAQRRKTLLNNLVNNLPEGKAQKSTIEQVLEE---TNIDGKR----RGESLSIEEFAALSNGLYKALF
3GRR Chain:A ((30-289))---------------------------QCFLIDKNFVNKAVESANLTKDDVVLEIGLGKGILTEELAKNAKKVYVIEIDKSLEPYANKLKELYNNIEIIWGDALKVDLNKL--------DFNKVVANLPYQISSPITFKLIKRGFDL--AVLMYQYEFAKRMVAAAGTKDYGRLSVAVQSRADVEIVAKVPPSAFYPKPKVYSAIVKIKPNKG-KYHIENENFFDDFLRAIFQHRNKSVRKALIDSSKELNYNKDEMKKILEDFLNTNSEIKNLINEKVFKLSVKDIVNLSNEFYRFL-


General information:
TITO was launched using:
RESULT:

Template: 3GRR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -180049 for 2018 contacts (-89.2/contact) +
2D Compatibility (PS) -27090 + (NN) -7240 + (LL) 2316
1D Compatibility (HY) -20800 + (ID) 5050
Total energy: -237913.0 ( -117.90 by residue)
QMean score : 0.551

(partial model without unconserved sides chains):
PDB file : Tito_3GRR.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3GRR-query.scw
PDB file : Tito_Scwrl_3GRR.pdb: