Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIRKIAIAALSVVVAGSLLTACGGGNSKSDDNGKTKVTFWAAPNPTQVKYWDEMAKAYEKENPDVTIEVSQMKESPSSEATIQSAIASKTAPTMSENINRSFAAQLADSKAIVPLNDVKGLDDVVKERNMSETMDSWKFSDGNQYVLPVYSNPILFAWRLDTLKELGYDAPPKTYSEALEVGKKLKAKYPDKVLWAKGDLSDPTAWMRWFDFFPLYDAASKGNAFVEDGKLVADDKAGTELLTFMSELQKNKLLLASKATDPFETGTSIMADNGPWTFPNWDEKFPELKYNENYAITAPLVPDSMVNEENVATYADSKGVVMYAQATDKEKEAAMDFLKFVYNDDKNDLKFLETTNLIPARDDATENETFTAFFKENPELEVYAANVPYSIPAMDDAKYNDIQQIIGEEAWNPIVRGEKKPTKAWSDMKKAEDGVLQE |
4GQO Chain:A ((29-432)) | ----------------------------------KTKVTFWAAPNPTQVKYWDEMAKAYEKENPDVTIEVSQMKESPSSEATIQSAIASKTAPTMSENINRSFAAQLADSKAIVPLNDVKGLDDVVKERNMSETMDSWKFSDGNQYVLPVYSNPILFAWRLDTLKELGYDAPPKTYSEALEVGKKLKAKYPDKVLWAKGDLSDPTAWMRWFDFFPLYDAASKGNAFVEDGKLVADDKAGTELLTFMSELQKNKLLLASKATDPFETGTSIMADNGPWTFPNWDEKFPELKYNENYAITAPLVPDSMVNEENVATYADSKGVVMYAQATDKEKEAAMDFLKFVYNDDKNDLKFLETTNLIPARDDATENETFTAFFKENPELEVYAANVPYSIPAMDDAKYNDIQQIIGEEAWNPIVRGEKKPTKAWSDMKKAEDGVLQ- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4GQO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -94576 for 3531 contacts (-26.8/contact) +
2D Compatibility (PS) -43742 + (NN) -24270 + (LL) 1864
1D Compatibility (HY) -49600 + (ID) 20200
Total energy: -230524.0 ( -65.29 by residue)
QMean score : 0.504
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