Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSMRLKLLRKKLGVTLETLAEKTGLTKSYLSKVERGLN-TPSIAAALKLAKALNVQVEELFSEESDGVD-GYSIVRRDQRKSLSSG---DDGPAYASLAQQIGARALLPFIVHPPRDFSHS--TFKEHLGEEFIFVHEGQVEVDFMNQR----IILERGDALHFNAQKPHRIRSLG-ETQAELLVVIHSDE
2BNM Chain:A ((12-197))
-AELLKDRREQVKMDHAALASLLGETPETVAAWENGEGGELTLTQLGRIAHVLGTSIGALTPPAGNDLDDGVIIQMPDERPILKGVRDNVDYYVYNCLVRTKRAPSLVPLVVDVLTDNPDDAKFNSGHAGNEFLFVLEGEIHMKWGDKENPKEALLPTGASMFVEEHVPHAFTAAKGTGSAKLIAVNF---
General information:
TITO was launched using:
RESULT:
Template:
2BNM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -59251 for 1129 contacts (-52.5/contact) +
2D Compatibility (PS) -18942 + (NN) -6517 + (LL) 148
1D Compatibility (HY) -6800 + (ID) 2050
Total energy: -93412.0 ( -82.74 by residue)
QMean score : 0.428
(partial model without unconserved sides chains):
PDB file :
Tito_2BNM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BNM-query.scw
PDB file :
Tito_Scwrl_2BNM.pdb
: