Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MCALKGFLEENFYTYSVAKGNHSTVYEFILLGLTDNAELQVTLFGIFLVVYLASFMGNFGLIMLIQISPQLHTPMYFFLSHLAFVDFSFTSSVAPNTLVNFL-CEVKSITFYACAIQVCCFITFVVCELYLLSIMAYDRYVAICNPLLYVI-L---IPRKCIKLIASTYVYGFTVGLVQTVATSYLSFCDSNVINHFYHDDVPLVALACSDTHVKELMLLIIAGFNTLCSLVIVLISYGFIFFAILRIHSA-------------------------------------------------------------------------------------------------------------------------------------------------------------------EGRQKAFSTSASHLTSITIFYGTIIFMYPQPKSS---HSLNMDKVASVFNVVVIPTLNPLIYSLRNQEVKNALKRIIEKLCLAVK |
3PBL Chain:A ((41-472)) | ------------------------------------------YALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASIWNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNT-------TGDPTVCSISN----------PD--FVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PBL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -236027 for 2002 contacts (-117.9/contact) +
2D Compatibility (PS) -26002 + (NN) 117 + (LL) 5352
1D Compatibility (HY) -16800 + (ID) 2250
Total energy: -275610.0 ( -137.67 by residue)
QMean score : 0.247
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