Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTTQHSKTDVILIGGGIMSATLGTLLKELSPEK-NIKVFEKLAQPGEESSNVWNNAGTGHSALCELNYTKEGKDGTVDCSKAIKINEQYQISKQFWAYLVKTGQLDNPDRFIQAVPHMSFVIGEDNVAFIKSRVATLKKSVLFEKMKLSQDEEEMKSWVPLMIEGRKS-DEPIALTYDETGTDVNFGALTAKLFENLEQRGVGIQYKQNVLDIKKQKSGAWLVKVKDLETNETTTYESDFVFIGAGGASLPLLQKTGIKQSKHIGGFPVSGLFLRCTNQEVIDRHHAKVYGKAAVGAPPMSVPHLDTRFVDGKRSLLFGPFAGFSPKFLKTGSHMDLIKSVKPNNIVTMLSAGIKEMSLTKYLVSQLMLSNDERMDDLRVFFPNAKNEDWEVITAGQRVQVIKDTEDSKGNLQFGTEVITSDDGTLAALLGA-SPGASTAVDIMFDVLQRCYRDEFKGWEPKIKEMVPSFGYRLTDHEDLYHKINEEVTKYLQVK |
2GAG Chain:B ((17-378)) | --EPKKSYDAIIVGGGGHGLATAYFLAKNH-GITNVAVLEKGW-LAGGNMA--RNTTIIRSNY---LWD--------------ESAGIYEKSLKLWEQLPEDLEY---DFLFSQRGVLNLAHTLGDVRESVRRVEANKLNG--VDAEWLD-PSQVKEACPIINTSDDIRYPVMGATWQPRAGIAKHDHVAWAFARKANEMGVDIIQNCEVTGFIKDGEKVTGVKT-----T-RGTIHAGKVALAGAGHSSVLAEMAGFE----LPIQSHPLQALVSELFEPV--HPTVVM--SN-----HIHVYVSQA-HKGE--LVMGAGIDSYNGYG---------QRG--------A----FH-------------VIQEQMAAAVELFPIFARAHVLRTWGGIVDTTMD------ASPIISKTP---IQ-NLYVNCGWGTGGFKGTPGAGFTLAHTIANDEPH-------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2GAG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -106097 for 3260 contacts (-32.5/contact) +
2D Compatibility (PS) -38501 + (NN) -13127 + (LL) 7280
1D Compatibility (HY) 800 + (ID) 2750
Total energy: -152395.0 ( -46.75 by residue)
QMean score : 0.333
|
|
|