Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNQDQLKQAVAQAAVDHILPHLDSKSIVGVGTGSTANFFIDALARHKAEFDGAVASSEATAKRLKEHGIPVYELNTVSELEFYVDGADESNERLELIKGGGAALTREKIVAAVAKTFICIADASKLVPILGQFPLPVEVIPMARSHVARQLVKLGGDPVYREGVLTDNGNIILDVHNLRIDSPVELEEKINAIVGVVTNGLFAARPADLLLLGTADGVKTLKA
4IO1 Chain:A ((8-218))
-NQDELKKLAATEAAKSITTEI----TLGVGTGSTVGFLIEELVNYRDKIKTVVSSSEDSTRKLKALGFDVVDLNYAGEIDLYIDGADECNNHKELIKGGGAALTREKICVAAAKKFICIIDESKKVNTLGNFPLPIEVIPMARSYIARQIVKLGGQPVYREQTITDNGNVILDVYNLKIDNPLKLETELNQITGVVTNGIFALKPADTVIMATKDSNIVVL-
General information:
TITO was launched using:
RESULT:
Template:
4IO1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121186 for 1853 contacts (-65.4/contact) +
2D Compatibility (PS) -22799 + (NN) -8450 + (LL) -32
1D Compatibility (HY) -19600 + (ID) 6000
Total energy: -178067.0 ( -96.10 by residue)
QMean score : 0.470
(partial model without unconserved sides chains):
PDB file :
Tito_4IO1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4IO1-query.scw
PDB file :
Tito_Scwrl_4IO1.pdb
: