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



Input alignment information:
Query sequenceMKKGLMISFEGPDGAGKTTVLEAVLPLLREKLSQDILTTREPGGVTISEEIRHIILDVKHT--QMDKKTELLLYMAARRQHLVEKVL-PALEEGKIVLMDRFIDSSVAYQGSGRGLDKSHIKWLNDYATDSHKPDLTLYFDVPSEVGLERIQKSVQREVNRLDLEQLDMHQRVRQGYLELADSEPNRIVTIDASQQLDEVIAETFSIILDRINQ
3N2I Chain:A ((29-232))-----FIVIEGLEGAGKSTAIQVVVETLQQNGIDHITRTREPGGTLLAEKLRALVKE-EHPGEELQDITELLLVYAARVQ-LVENVIKPALARGEWVVGDRHDMSSQAYQGGGRQIAPSTMQSLKQTALGDFKPDLTLYLDIDPKLGLERARG----ELDRIEKMDISFFERARERYLELANSD-DSVVMIDAAQSIEQVTADIRRALQDWLSQ


General information:
TITO was launched using:
RESULT:

Template: 3N2I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75575 for 1557 contacts (-48.5/contact) +
2D Compatibility (PS) -21783 + (NN) -11280 + (LL) 820
1D Compatibility (HY) -12800 + (ID) 4100
Total energy: -124718.0 ( -80.10 by residue)
QMean score : 0.544

(partial model without unconserved sides chains):
PDB file : Tito_3N2I.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3N2I-query.scw
PDB file : Tito_Scwrl_3N2I.pdb: