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



Input alignment information:
Query sequenceMSSSAGDYGESYQRSDERNELASSGEKSENAAYGWPSEMLNACTDFSAPQSSYQLNAQTPPPFAPFAPSPLSRPASQSAPTQQRSEGTPLQAETARKHGSSLRAHTSTFQSTLSSAAPSLGSGELSSSPFPHRHSDTYERPLPPEALGARQLVDYIFTPHSPGRPHSSLSPPSVVPRPSPREIGWPMPLLAEPVNPSSGRRLVFFGKGQQPQFVLGEKKNRFIAVTFKPILSVAAAAVVSAAPELGDTSTTTGYASYGTVLGYSDDNTKIVWHDRSERFASYVSLSSIQSIHRASAMQCRHCGFVLLKQELREHMNTHKKGSGVEYGVFTDDESLGMLCGDSGLMQNLASPRRLGEGAQGVVDLMEVVQPTMEEVAQAGPSSAAYRFVSEHLSHESRLQKVVLKSMHFSSEAKALDEYQKSVRFM-TVMQHPHLVEYLAVQLKPDRRTVCICMPYYQEGDVGAMIRSFRGDHFDESFVCSVALQLSLALAFLHERNPPIVHGDLKVENAMFYNNK---QQIVLTDLDASREVLGGYQEAVQSSLGTTAYMAPETLKVERLMPSSDMWSLGVFLYVLTVLPDFPMILNPNTQNLDLLNADCWATEEDLRAMESYSSALNDGHSNAPSVNAGSGNCGITLGECVRANITRKGYSRDLAQLVVDLLSYNPLKRPTAEVVGCRLTEIMTDYLLEF
4NIF Chain:A ((7-265))--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SDGYVVKETIGVGSYSECKRCVHKATN---------------------------MEYAVKVIDKSKR-----DPSEEIEILLRYGQHPNIITLKDVYDD--GKHVYLVTELMRGGELLDKILRQK--FFSEREASFVLHTIGKTVEYLHSQG--VVHRDLKPSNILYVDESGNPECLRICDFGFAKQLRAE-NGLLMTPCY---FVAPEVLKRQGYDEGCDIWSLGILLYTMLAGY-TPFANGPSDTPEEILT------------------RIG--------------SGKFTLSGG-----NWNTVSETAKDLVSKMLHVDPHQRLTAKQVLQHP-----------


General information:
TITO was launched using:
RESULT:

Template: 4NIF.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 : 1130 -45919 -40.64 -182.22
target 2D structure prediction score : 0.54
Monomeric hydrophicity matching model chain A : 0.59

3D Compatibility (PKB) : -40.64
2D Compatibility (Sec. Struct. Predict.) : 0.54
1D Compatibility (Hydrophobicity) : 0.59
QMean score : 0.395

(partial model without unconserved sides chains):
PDB file : Tito_4NIF.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4NIF-query.scw
PDB file : Tito_Scwrl_4NIF.pdb: