Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSPPKIRRYIPADRDATLAIWLEASRVGHG-FLGEAELQKQKALVRD-----HYLDASETWLALDGDTPLGFIGLLD-----AFIGGLFVAPTAHGRGIGRQLVEHAATLK---GALEVEVYAANREALGFYARCGFVESGRRPRDDEGRALEIVQLRREH
3FNC Chain:A ((4-162))
--MDFHIRKATNSDAEAIQHVATTSWHHTYQDLIPSDVQDDFLKRFYNVETLHNRISATPFAVLEQADKVIGFANFIELEKGKSELAAFYLLPEVTQRGLGTELLEVGMTLFHVPLPMFVNVEKGNETAIHFYKAKGFVQVEEFTEDFYGYPLETIRFNLNH
General information:
TITO was launched using:
RESULT:
Template:
3FNC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -59938 for 1053 contacts (-56.9/contact) +
2D Compatibility (PS) -15987 + (NN) -6747 + (LL) 180
1D Compatibility (HY) -5600 + (ID) 1450
Total energy: -89542.0 ( -85.04 by residue)
QMean score : 0.350
(partial model without unconserved sides chains):
PDB file :
Tito_3FNC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FNC-query.scw
PDB file :
Tito_Scwrl_3FNC.pdb
: