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



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


General information:
TITO was launched using:
RESULT:

Template: 3GRV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -188684 for 2022 contacts (-93.3/contact) +
2D Compatibility (PS) -27092 + (NN) -7249 + (LL) 2316
1D Compatibility (HY) -20800 + (ID) 5050
Total energy: -246559.0 ( -121.94 by residue)
QMean score : 0.575

(partial model without unconserved sides chains):
PDB file : Tito_3GRV.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3GRV-query.scw
PDB file : Tito_Scwrl_3GRV.pdb: