Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTVWKTLEKTNHSQSEILSQLIEESDAIVVGIGAGMSAADGFTYIGPRFEEAFPDFIAKYQLLDMLQASLYDFEDWEEYWAFQSRFVALNYLDQPVGQAYLDLKDILAKKEYHIITTNADNAFAVADYNLEKVFHIQGEYGLWQCSQHCHQQTYRNDQAIRQMIAQQKDMKIPSNLIPKCPKCDQPFEINKRNEEKGMVEDADFHAQRQRYENFLSQHQNDKVLYLEIGVGHTTPQFIKHPFWRFVSLNENSLFVTLNHKHYRIPQKIRSRSVQLTQHIAELIAEAKKEIIG
5A3A Chain:A ((13-302))
------NWTTNLTQAEQLAQLIKEADALVVGIGAGMSAADGFTYIGPRFETAFPDFIAKYQFLDMLQASLFDFEDWQEYWAFQSRFVALNYLDQPVGQSYLDLKEILETKDYHIITTNADNAFWVAGYDPHNIFHIQGEYGLWQCSQHCHQQTYKDDTVIRQMIAEQKNMKVPGQLIPHCPECEAPFEINKRNEEKGMVEDADFHAQKARYEAFLSEHKEGKVLYLEIGVGHTTPQFIKHPFWKRVSENPNALFVTLNHKHYRIPLSIRRQSLELTEHIAQLISATKTIYQK
General information:
TITO was launched using:
RESULT:
Template:
5A3A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145750 for 2328 contacts (-62.6/contact) +
2D Compatibility (PS) -30845 + (NN) -13739 + (LL) 724
1D Compatibility (HY) -35200 + (ID) 10900
Total energy: -235710.0 ( -101.25 by residue)
QMean score : 0.608
(partial model without unconserved sides chains):
PDB file :
Tito_5A3A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-5A3A-query.scw
PDB file :
Tito_Scwrl_5A3A.pdb
: