Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLEIKNLHVSIEDKEILKGLNLTLKTGEIAAIMGPNGTGKSTLSAAIMGNPNYEVTAGEILFDGEDILELEVDE-RARLG-------LFLA-----MQYPSEVPGITNAEFIRAAMNAGKADDDKISIRQFITKLDEKMELLGMKEEMAERYLNEG--FSGGEKKRNEILQLLMLEPKFALLDEIDSGLDIDALKVVSKGVNEMRGEGFGAMIITHYQRLLNYITPDKVHVMMDGKVVLSGGPELAVRLEKEGYAQIAEELGLEYKEEV
4M1M Chain:B ((1048-1247))
-----------------VLQGLSLEVKKGQTLALVGSSGCGKSTVVQLL--ERFYDPMAGSVFLDGKEIKQLNVQWLRAQLGIVSQEPILFDCSIAENIAYGDNSRVVSYEEIVRAAKEA--------NIHQFIDSLPDKYN---------TRVGDKGTQLSGGQKQRIAIARALVRQPHILLLDEATSALDTESEKVVQEALDKAR-EGRTCIVIAH--RLSTIQNADLIVVIQNGKVKEHGTHQQLLAQKGIYFSMVSVQA--------
General information:
TITO was launched using:
RESULT:
Template:
4M1M.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -65622 for 1268 contacts (-51.8/contact) +
2D Compatibility (PS) -19869 + (NN) -6619 + (LL) 2924
1D Compatibility (HY) -12800 + (ID) 3550
Total energy: -105536.0 ( -83.23 by residue)
QMean score : 0.420
(partial model without unconserved sides chains):
PDB file :
Tito_4M1M.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4M1M-query.scw
PDB file :
Tito_Scwrl_4M1M.pdb
: