Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MESLQKTSDAGQMFDVVVIGGGISGLSAAKLLAEHEVNVLVLEARERVGGRTYTVRNEHVDYVDVGGAYVGPTQNRILRLSKQLGLETYKVNVNERLVHYVKGKTYPFRGAFPPVWNPIAYLDYNNLWRTMDNMGKEIPADAPWEAPHAVEWDKMTMKDLIEKICWTKTARQFASLFVNINVTSEPHEVSALWFLWYVKQCGGTTRIFSITNGGQERKFVGGSGQVSERIMQLLGDRVKLRSPVTYVDQSSENITVETLNRELYECRYVISAIPPTLTAKIHFRPELPSERNQLIQRLPMGAVIKCMMYYKEAFWKKKDYCGCMIIEDEEAPISITLDDTKPDGSLPAIMGFILARKADRLAKVHKDIRKRKICELYAKVLGSQEALHPVHYEEKNWCQEQYSGGCYTAYFPPGIMTQYGRVIRQPVGRIYFAGTETATQWSGYMEGAVEAGERAAREVLNALGKLSAKDIWIQEPEAEDVPAVEITPSFWERNLPSVSGLLKIVGFST-SITALWFVMYRFRLLSRS |
2VRL Chain:A ((14-501)) | ----------------------ISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHHVKGKSYPFRGPFPPVWNPITYLDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIYIDQTRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEPFWRKKDYCGTMIIDGEEAPVAYTLDDTKPEGNYAAIMGFILAHKARKLARLTKEERLKKLCELYAKVLGSLEALEPVHYEEKNWCEEQYSGGCYTTYFPPGILTQYGRVLRQPVDRIYFAGTETATHWSGYMEGAVEAGERAAREILHAMGKIPEDEIWQSEPESVDVPAQPITTTFLERHLPSVPGLLRLIGLTTI------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2VRL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -249998 for 4199 contacts (-59.5/contact) +
2D Compatibility (PS) -51852 + (NN) -18647 + (LL) 3296
1D Compatibility (HY) -62800 + (ID) 17900
Total energy: -397901.0 ( -94.76 by residue)
QMean score : 0.409
|
|
|