Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLEIKNLHVSIEDKEILKGLNLTLKTGEIAAIMGPNGTGKSTLSAAIMGNPNYEVTAGEILFDGEDILELEVDE-RARLG-------LFLA-----MQYPSEVPGITNAEFIRAAMNAGKADDDKISIRQFITKLDEKMELLGMKEEMAERYLNEG--FSGGEKKRNEILQLLMLEPKFALLDEIDSGLDIDALKVVSKGVNEMRGEGFGAMIITHYQRLLNYITPDKVHVMMDGKVVLSGGPELAVRLEKEGYAQIAEELGLEYKEEV
4Q9H Chain:A ((1048-1247))
-----------------VLQGLSLEVKKGQTLALVGSSGCGKSTVVQLL--ERFYDPMAGSVFLDGKEIKQLNVQWLRAQLGIVSQEPILFDCSIAENIAYGDNSRVVSYEEIVRAAKEA--------NIHQFIDSLPDKYN---------TRVGDKGTQLSGGQKQRIAIARALVRQPHILLLDEATSALDTESEKVVQEALDKAR-EGRTCIVIAH--RLSTIQNADLIVVIQNGKVKEHGTHQQLLAQKGIYFSMVSVQAGA------
General information:
TITO was launched using:
RESULT:
Template:
4Q9H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -73941 for 1309 contacts (-56.5/contact) +
2D Compatibility (PS) -19742 + (NN) -5462 + (LL) 2644
1D Compatibility (HY) -12800 + (ID) 3550
Total energy: -112851.0 ( -86.21 by residue)
QMean score : 0.402
(partial model without unconserved sides chains):
PDB file :
Tito_4Q9H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4Q9H-query.scw
PDB file :
Tito_Scwrl_4Q9H.pdb
: