Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIRKIAIAALSVVVAGSLLTACGGGNSKSDDNGKTKVTFWAAPNPTQVKYWDEMAKAYEKENPDVTIEVSQMKESPSSEATIQSAIASKTAPTMSENINRSFAAQLADSKAIVPLNDVKGLDDVVKERNMSETMDSWKFSDGNQYVLPVYSNPILFAWRLDTLKELGYDAPPKTYSEALEVGKKLKAKYPDK--VLWAKGDLSDPTAWMRWFDFFPLYDAASKGNAFVE-DG----KLVADDKAGTELLTFMSELQKN---KLLLA----SKATDPFETGTSIMADNGPWTFPNWDEKFPELKYNENYAITAPLVPDSMVNEENVATYADSKGVVMYAQATDKEKEAAMDFLKFVYNDDKNDLKFLETTNLIPARDDATENETFTAFFKENPELEVYAANVPYSIPAMDDAKYNDIQQIIGEEAWNPIVRGEKKPTKAWSDMKKAEDGVLQE |
2XD3 Chain:A ((36-410)) | ------------------------------------ELTVYVDEG--YKSYIEEVAKAYEKE-AGVKVTLKTGDA-LGGLDKLSLDNQNGNVPDVMM-APYDRVGSLGSDGQLSEVKLSDGA-K-T-DDTTKSLV--TAA-NGKVYGAPAVIESLVMYYNKDLVKD-----APKTFADLENLAKDSKYAFAGEDGKTTAFL--A--DW-TNFYYT-YGLLAG-NGAYVFGQNGKDAKDIGLANDGSIVGINYAKSWYEKWPKGMQDTEGAGNLIQTQFQEGKTAAIIDGPWKAQAFKDA----K--VNYGVATIPTLPNGK---EYAAFGGGKAWVIPQAVKN--LEASQKFVDFLVATE-QQKVLYDKTNEIPANTEARSYAEGK----NDELTTAVIKQFKNTQPLPNISQMSAVWDPAKN-MLFDAVSGQKDAKTAANDAVTLIKETL-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XD3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -44661 for 3213 contacts (-13.9/contact) +
2D Compatibility (PS) -38046 + (NN) -8884 + (LL) 3400
1D Compatibility (HY) -3600 + (ID) 2800
Total energy: -94591.0 ( -29.44 by residue)
QMean score : 0.404
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