Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLL-YGPAILSWEYLSGGSSIPEGHCYAE-----FFYNWYFLITASTLEFFTPFLSVTFFNLSIY------LNIQRRTR----LRLDGAREAAG---------PEPPPEAQPSPPPPPGCWGCWQKG---HGEAMPLHRYGVGEAAVGA-----------------EAGEATLGGGGGGGSVASPTSSSG--SSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFT---QRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHH-SFRRAFTKLLCPQKLKIQPHSSLEHCWK |
3NYA Chain:A ((40-478)) | --------------------------------WVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIWTLCVIAVDRYFAITSPFKYQSLLTKNKARV-IILMVWIVSGLTSFLPIQMHWYRATHQEAI---NCYAEETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAK-SRWYNQTPNRAKRVITTFRTGTWDAYKFCL-KEHKALKTLGIIMGTFTLCWLPFFIVNIVH-VIQDNLIRKEVYILLNWIGYVNSGFNPLIY--CRSPDFRIAFQELLCL---------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3NYA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -200125 for 2733 contacts (-73.2/contact) +
2D Compatibility (PS) -39827 + (NN) -7030 + (LL) 2088
1D Compatibility (HY) -34800 + (ID) 5600
Total energy: -285294.0 ( -104.39 by residue)
QMean score : 0.205
|
|
|