Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTFLEFHQLVKEDLLIYSWIIKNFHLTRQKLMAGGEITMNR---EQVIVMEKGLLVQVN--EEGKNDLYRVFIDQRIIFTTK--------GDITLTAL-EDTSYSIIRTDELIGKLEDQHLLPTFFLQIAEDFEKGLDWQR-TLISVDPAERAEMILVKIIERYEINSENKPEFPR-WLRINVLARFAKCSV-STMSSVVNELVNEGDLNIKGTPWLLTRPYQASCA
2BGC Chain:A ((18-215))
-------------------------IKPKQFHKKELIFNQWDPQEYCIFLYDGITKLTSISENGTIMNLQYY-KGAFVIMSGFIDTETSVGYYNLEVISEQATAYVIKINELKELLSKNLTHFFYVFQTLQKQVSYSLAKFNDFSINGKLGSICSQLLILTYVYGKETPDGIKITLDNLTMQELGYSSGIAHSSAVSRIISKLKQEKVIVYKNSCFYVQNLDYLK--
General information:
TITO was launched using:
RESULT:
Template:
2BGC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -99655 for 1221 contacts (-81.6/contact) +
2D Compatibility (PS) -19215 + (NN) -4116 + (LL) 3004
1D Compatibility (HY) -6800 + (ID) 1150
Total energy: -127932.0 ( -104.78 by residue)
QMean score : 0.545
(partial model without unconserved sides chains):
PDB file :
Tito_2BGC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BGC-query.scw
PDB file :
Tito_Scwrl_2BGC.pdb
: