Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLARNNSLVTEFILAGLTDHPEFRQPLFFLFLVIYIVTMVGNLGLITLFGLNSHLHTPMYYFLFNLSFIDLCYSSVFTPKMLMNFV-SKKNIISNVGCMTRLFFFLFFVISECYMLTSMAYDRYVAICNPLLYKVT---MSHQVCSMLTFAAYIMGLAGATAHTGCMLRLTFCSANIINHYLCDILPLLQLSCTSTYVNEVVVLIVVGTNITVPSCTILISYVFIVTSILHIKST-------------------------------------------------------------------------------------------------------------------------------------------------------------------QGRSKAFSTCSSHVIALSLFFGSAAFMYIK-YSSGS---MEQGKVSSVFYTNVVPMLNPLIYSLRNKDVKVALRKALIKIQRRNIF |
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) -249612 for 1978 contacts (-126.2/contact) +
2D Compatibility (PS) -25578 + (NN) -20 + (LL) 4192
1D Compatibility (HY) -14800 + (ID) 2050
Total energy: -287868.0 ( -145.53 by residue)
QMean score : 0.302
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