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



Input alignment information:
Query sequenceMQFHSSSALITPFKKDLSVDEAAYETLIKRQIFQGMDACVPVGTTGESATLTHKEHMRCIEIAIETCKSTKTPSNSRMKVLAGVGSNATSESLSLAKFAQKIGADAILCVSPYYNRPTQQGLFEHYKTIAQSVEIPVMLYDVPSRTGVSIEVPTALKLFREVPNIKAIKEASGSLKRVTEL-HYYEKDFKIFSGEDSLNHSIMFSGGCGVISVTGNLMPNLISQMVNCALKFEYQQALEIQNKLFDLHQALFVETNPIPIKMAMHLAGLIENPSYRLPLVAPSKETIKLLEKTLQQYEVIA
3PUE Chain:B ((8-291))-------AIVTPMLKDGGVDWKSLEKLVEWHIEQGTNSIVAVGTTGEASTLSMEEHTQVIKEIIRV-------ANKRIPIIAGTGANSTREAIELTKAAKDLGADAALLVTPYYNKPTQEGLYQHYKAIAEAVELPLILYNVPGRTGVDLSNDTAVRLA-EIPNIVGIKDATGDVPRGKALIDALNGKMAVYSGDDETAWELMLLGADGNISVTANIAPKAMSEVCAVAIAKDEQQAKTLNNKIANLHNILFCESNPIPVKWALHEMGLIDT-GIRLPLTPLAEQYREPLRNALKDAGII-


General information:
TITO was launched using:
RESULT:

Template: 3PUE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -192251 for 2506 contacts (-76.7/contact) +
2D Compatibility (PS) -30851 + (NN) -19330 + (LL) 644
1D Compatibility (HY) -21600 + (ID) 6050
Total energy: -269438.0 ( -107.52 by residue)
QMean score : 0.531

(partial model without unconserved sides chains):
PDB file : Tito_3PUE.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3PUE-query.scw
PDB file : Tito_Scwrl_3PUE.pdb: