Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKIITSILLLSCIFFMPTISAESFNASAKYALAVDLDSGKILYEKDANRPAAIASLTKIMTVYMVYKEIDNGNLKWNTKVNISDYPYQLTRESDASNVPLEKRRYTVKQLVDAAMISSANSAAIALAEHISGTESKFVDKMTAQLEKWGIHDSHLVNASGLNNSMLGNHIYPKSSQNDENKMSARDIAIVAYHLVNEYPSILKITSKSVAKFDKDIMHSYNYMLPDMPVFR-PGITGLKTGTTELAGQSFIATSTESGMRLLTVIMHADKADKDKYARFTATNSLLNY------ITNTYEPNLVLAKGATYKGKEASVRDGKEQSVIAVAKNDLKVAQKKNITKQNQLKINFKKELTAPITKKENLGKAYYVDLNKVGKGYLIKEPSVHLVAKDSIERSFFLKVWWNHFVRYVNEKL |
4K91 Chain:A ((13-344)) | ---------------------------AAKSYVLMDGESGQVLVENNGDQRLPPASLTKLMTAYIATKEIEAGRIGENDLVTVSEHAW---RTGGSRMFIKVGSQVSVSDLLHGIIIQSGNDASVALAEHIAGSEDAFADMMNTTAQKLGLTNSHFMDATGLPNP--------------DHYSSARDMAVLARAIIYGEPSHYAIYAQKEFLWNNIKQPNRNLLL-----WRDKTVDGLKTGHTDEAGYCLVASAVRDGQRMIAVVFGTNS----EQARAAETQKLLTYGFRFFESRNFYKKGTELTKGLVWKGSEHEVKAGLAE--------DLTMTLPRGQMQKLQASMVLEPQLMAPIQQGQVIGKVEVKLDDKVIR-------SADLVALNAVEEG------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4K91.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -100878 for 2754 contacts (-36.6/contact) +
2D Compatibility (PS) -34104 + (NN) -4143 + (LL) 6564
1D Compatibility (HY) -16000 + (ID) 5200
Total energy: -153761.0 ( -55.83 by residue)
QMean score : 0.456
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