Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASLQQSRRLVTEIPGPASQALTHRRAAAVSSGVGVTLPVFVARAGGGIVEDVDGNRLIDLGSGIAVTTIGNSSPRVVDAVRTQVAEFTHTCFMVTPYEGYVAVAEQLNRITPGSGPKRSVLFNSGAEAVENAVKIARSYTGKPAVVAFDHAYHGRTNLTMALTAKSMPYKSGFGPFAPEIYRAPLSYPYRDGLLDKQLATNGELAAARAIGVIDKQVGANNLAALVIEPIQGEGGFIVPAEGFLPALLDWCRKNHVVFIADEVQTGFARTGAMFACEHEGPDGLEPDLICTAKGIADGLPLSAVTGRAEIMNAPHVGGLGGTFGGNPVACAAALATIATIESDGLIERARQIERLVTDRLTTLQAV--DDRIGDVRGRGAMIAVELVKSGTTEPDAGLTERLATAAHAAGVIILTCGMFGNIIRLLPPLTIGDELLSEGLDIVCAILADL |
4ATP Chain:A ((12-452)) | ---IEQKRNINGAFPGPKSQALAERRSAVVAAGVASGVPVYVEDADGGIIRDVDGNSFIDLGSGIAVTSVGASDPAVVAAVQEAAAHFTHTCFMVTPYEGYVAVTEQLNRLTPGDHAKRTVLFNSGAEAVENAVKVARLATGRDAVVAFDHAYHGRTNLTMALTAKAMPYKTNFGPFAPEVYRMPMSYPFR----EENPEITGAEAAKRAITMIEKQIGGDQVAAIIIEPIQGEGGFIVPAEGFLPALSEWAKEKGIVFIADEVQSGFCRTGEWFAVDHE---GVVPDIITMAKGIAGGLPLSAITGRADLLDAVHPGGLGGTYGGNPVACAAALAAIDTMEQHDLNGRARHIEELALGKLRELAAELS--VVGDIRGRGAMLAIELVQPGSKEPNAELTKAVAAACLKEGVIILTCGTYGNVIRLLPPLVISDELLIDGLEVLAAAI--- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4ATP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -266667 for 3927 contacts (-67.9/contact) +
2D Compatibility (PS) -48046 + (NN) -29300 + (LL) 132
1D Compatibility (HY) -44800 + (ID) 13950
Total energy: -402631.0 ( -102.53 by residue)
QMean score : 0.597
|
|
|