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



Input alignment information:
Query sequenceMSDSKCDSQFYSVQVADSTFTVLKRYQQLKPIGSGAQGIVCAAFDTVLGINVAVKKLSRPFQNQTHAKRAYRELVLLKCVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIH-MELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTACTNFMMTPYVVTRYYRAPEVILG-MGYKENVDIWSVGCIMGELVKGCVIFQGTDHIDQWNKVIEQLGTPSAEFMKKLQP-TVRNYVENRPKYPGIKFEELFPDWIFPSESERDKIKTSQARDLLSKMLVIDPDKRISVDEALRHPYITVWYDPAEAEAPPPQIYDAQLEEREHAIEEWKELIYKEVMDWEERSKNGVVKDQPSDAAVSSNATPSQSSSINDISSMSTEQTLASDTDSSLDASTGPLEGCR
3HRB Chain:A ((7-347))---------FYRQELNKTIWEVPERYQNLSPVGS-----VCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARH--TDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIG------------ANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADP--YDQSFESRDLLIDEWKSLTYDEVISF-------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3HRB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -238058 for 2633 contacts (-90.4/contact) +
2D Compatibility (PS) -35447 + (NN) -17322 + (LL) 3464
1D Compatibility (HY) -37600 + (ID) 8800
Total energy: -333763.0 ( -126.76 by residue)
QMean score : 0.432

(partial model without unconserved sides chains):
PDB file : Tito_3HRB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3HRB-query.scw
PDB file : Tito_Scwrl_3HRB.pdb: