Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDGSNVTSFVVEEPTNISTGRNASVGNAHRQIPIVHWVIMSISPVGFVENGILLWFLCF-RMRRNPFTVYITHLSIADISLLFCIFILSIDYAL-DYELSSGHYYTIVTLSVTFLFGYNTGLYLLTAISVERCLSVLYPIWYRCH---RPKYQSALVCALLWALSCLVTTMEYVMCIDREEESHSRNDCRAV----IIFIAILSFLVFTPLMLVSSTILVVKIRKNTW-------------------------------------------------------------------------------------------------------------------------------------------------------------------ASHSSKLYIVIMVTIIIFLIFAMPMRLLYLLYYEYW--STFGNLHHISLLFSTINSSANPFIYFFVGSSKKKRFKESLKVVLTRAFKDEMQPRRQKDNCNTVTVETVV |
3PBL Chain:A ((41-472)) | ----------------------------------YALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICC-DVFVTLDVMMCTASIWNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTG----DPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC---------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3PBL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -232954 for 1950 contacts (-119.5/contact) +
2D Compatibility (PS) -25532 + (NN) 2084 + (LL) 4168
1D Compatibility (HY) -20800 + (ID) 1950
Total energy: -274984.0 ( -141.02 by residue)
QMean score : 0.210
|
|
|