Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKADKALLIVDMINNFEFDMGETLAKKTEKIVPHI------LSLKEHARQNEWPIIY----INDHYGLWQADIKNIQQECTNERS-------KDIITKIAPVDADYFLIKPKHS--AFYETALHTLLTELQVRHIIITGIAGNICVLFTANDAYMREYSITIPKDCIASNSDEDNEFALTMMENVLFAEITTEEQIIEK
3KL2 Chain:A ((21-199))
LDPARTAIVLIEYQNEFTSD-GGVLHGAVADVMQHTGMLANTVAVVDAARQAGVPIMHAPITFAEGYGELTRHPYGILKGVVDGKAFVKGTWGAAIVDELAPVNGD-IVIEGKRGLDTFASTNLDFILRSKGVDTIVLGGFLTNCCVESTMRTGYERGFRVITLTDCVAATSQEEHNNAIS-------------------
General information:
TITO was launched using:
RESULT:
Template:
3KL2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107824 for 1170 contacts (-92.2/contact) +
2D Compatibility (PS) -16887 + (NN) -4260 + (LL) 2700
1D Compatibility (HY) -12800 + (ID) 2100
Total energy: -141171.0 ( -120.66 by residue)
QMean score : 0.380
(partial model without unconserved sides chains):
PDB file :
Tito_3KL2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KL2-query.scw
PDB file :
Tito_Scwrl_3KL2.pdb
: