Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKVVVKNVTFGEGAPKICVPMVGKTVAALKEEAEMLQTIDLDVVEWRVDFFEDVKDLAKVEAALGEIRAILPETPILFTFRSAKEGGELAVSDEFYFELNETLAGTGKIDLVDVELFNEEADVLRLIETAHKNNVKVVMSNHDFDKTPAKEEIVSRLTRMEALGADLPKIAVMPKSAGDVLTLLDATNTVFEK-ANQPIITMSMAGTGVISRLAGEVFGSAMTFGAAKKASAPGQIDVNELRHVLDLLHKQF
4CNP Chain:B ((1-250))
MKTVTVKNLIIGEGMPKIIVSLMGRDINSVKAEALAYREATFDILEWRVDHFMDIASTQSVLTAARVIRDAMPDIPLLFTFRSAKEGGEQTITTQHYLTLNRAAIDSGLVDMIDLELFTGDADVKATVDYAHAHNVYVVMSNHDFHQTPSAEEMVLRLRKMQALGADIPKIAVMPQSKHDVLTLLTATLEMQQHYADRPVITMSMAKEGVISRLAGEVFGSAATFGAVKQASAPGQIAVNDLRSVLMILH---
General information:
TITO was launched using:
RESULT:
Template:
4CNP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140724 for 2172 contacts (-64.8/contact) +
2D Compatibility (PS) -27366 + (NN) -14384 + (LL) 316
1D Compatibility (HY) -24400 + (ID) 6850
Total energy: -213408.0 ( -98.25 by residue)
QMean score : 0.573
(partial model without unconserved sides chains):
PDB file :
Tito_4CNP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4CNP-query.scw
PDB file :
Tito_Scwrl_4CNP.pdb
: