Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIRKIAIAALSVVVAGSLLTACGGGNSKSDDNGKTKVTFWAAPNPTQVKYWDEMAKAYEKENPDVTIEVSQMKESPSSEATIQSAIASKTAPTMSENINRSFAAQLADSKAIVPLNDVKGLDDVVKERNMSETMDSWKFSDGNQYVLPVYSNPILFAWRLDTLKELGYDAPPKTYSEALEVGKKLKAKYPDKVLWAKGDLSDPTAWMRWFDFFPLYDAASKGNAFVED------GKLVADDKAGTELLTFMSELQKNKLLLAS----KATDPFETGTSIMADNGPWTFPNWDEKFPELKYNENYAITAPLVPDSMVNEENVATYADSKGVVMYAQATDKEKEAAMDFLKFVYNDDKNDLKFLETTNLIPARDDATENETFTAFFKENPELEVYAANVPYSIPAMDDAKYNDIQQIIGEEAWNPIVRGEKKPTKAWSDMKKAEDGVLQE |
2GHA Chain:A ((3-374)) | -----------------------------------PKLTIWCSE--KQVDILQKLGEEFKAKY-GVEVEVQYVNF-QDIKSKFLTAAPEGQGADIIV-GAHDWVGELAVNGLIEPIPNFSDLKN-----FYETALNAFSY-GGKLYGIPYAMEAIALIYNKDYVPE-----PPKTMDELIEIAKQIDEEFGG-EVRGFITSAA-EF---Y-YI-APFIFGYGGYVFKQTEKGLDVNDIGLANEGAIKGVKLLKRLVDEGILDPSDNYQIMDSMFREGQAAMIINGPWAIKAYKDA----G--IDYGVAPIPDLEPGV---PARPFVGVQGFMVNAKSPN--KLLAIEFLTSFIAKKETMYRIYLGDPRLPSRKDVLELV--KD----NPDVVGFTLSAANGIPMPNVPQMAAVWAAMND-ALNLVVNGKATVEEALKNAVERIKAQIQ- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GHA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -25557 for 3214 contacts (-8.0/contact) +
2D Compatibility (PS) -38521 + (NN) -14143 + (LL) 4200
1D Compatibility (HY) -20000 + (ID) 3050
Total energy: -97071.0 ( -30.20 by residue)
QMean score : 0.412
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