Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKSAEEIQRMSVAGALTAKVLEALDEVVRPGISTAEIDRFCERYIVDTLAAIPGSKGQYGYPFTVNTSVNEVVCHGWPSAQQILRDGDIVNVDVTVIKDGYFGDSSKMYRVGAIDRQAQKLLDVTRECLYRAIRVVRPDATLGDIGHAIQSHAEANGYSVVREYCGHGIGRKMHEAPQVLHFGRAGAGARLKAGMTFTIEPMINQGGHAVKLHKDGWTVTTRDRRLSAQYEHTVLVTERGCRVLTLRDEEREALADLAG
4IKT Chain:A ((77-319))
---SSEDIEGMRLVCRLAREVLDVAAGMIKPGVTTEEIDHAVHLACI-ARNCYPSPLNYYNFPKSCCTSVNEVICHGIPD-RRPLQEGDIVNVDITLYRNGYHGDLNETFFVGEVDDGARKLVQTTYECLMQAIDAVKPGVRYRELGNIIQKHAQANGFSVVRSYCGHGIHKLFHTAPNVPHYAKNKAVGVMKSGHVFTIEPMICEGGWQDETWPDGWTAVTRDGKRSAQFEHTLLVTDTGCEILTRR------------
General information:
TITO was launched using:
RESULT:
Template:
4IKT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146062 for 2142 contacts (-68.2/contact) +
2D Compatibility (PS) -26610 + (NN) -10818 + (LL) 1416
1D Compatibility (HY) -19200 + (ID) 5450
Total energy: -206724.0 ( -96.51 by residue)
QMean score : 0.455
(partial model without unconserved sides chains):
PDB file :
Tito_4IKT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4IKT-query.scw
PDB file :
Tito_Scwrl_4IKT.pdb
: