Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRQNNNITEFVLLGFSQYPDVQNALFVMFLLIYIVTMVGNLLIVVSIIASPFLGSPVYFFLACLSFIDAVYSTTISPVLIVDLL-CDKKTISFPACMGQLFIEHLFGDTDVFLLVVMAYDRYVATCKPLRYLTI---MNRQVCILLLVVAVTGGFLHSVFQILVVYSLPFCGPNVIYHFFCNIYPLLDLECTDTYFVGLAVVFNGGAICMVIFTLLLISYGVILNSLKTYSPEGRHKAPFICSSHFIMVILFFVPCIFLYVRPVSNFPIDKFLTVFYSVITPKLNPFIYMLRNSEMRNAIENLLGYQSGKTGFRCSKLN |
| 3PBL Chain:A ((41-226)) | ------------------------YALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASIWNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTT-------GDPTVCSISN----------P--DFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPV |
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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) -171246 for 1246 contacts (-137.4/contact) +
2D Compatibility (PS) -17920 + (NN) -1505 + (LL) 2128
1D Compatibility (HY) -12800 + (ID) 1400
Total energy: -202743.0 ( -162.72 by residue)
QMean score : 0.258
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