Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNTLGRFLRLTTFGESHGDMIGGVLDGMPSGIKIDYDLLENEMKRR-----QGGRNIFTTPRKEDDKVEITSGVFEGFSAGTPIGFLIHNQR---------ARSKDYDNIKNLF--------RPSHADFTYFHKYGIRDFRGG-GRSSARESAIRVAAGAFAKMLLRE-IGVVCESGIIKIG------GIEAKNYDFNHALKSEIFALDKEQEEAQKTAIQNAIKNHDSIGGVALIRARGAKTNQKLPIGLGQGLYA--KLDAKIAEAMMGLNGVKAVEIGKGVESSLLKGSEYNDLM--SQKGFL--SNHSGGVLGGMSNGEEIIVKVHFKPTPSIFQPQRTIDIKGNECECLLKGRHDPCIAIRGSVVCESLLSLVLADMVLLNLTSKIEYLKTIYNEN |
2O12 Chain:A ((1-367)) | ------MLRWITAGESHGRALVAVVEGMVAGVHVTSADIADQLARRRLGYGR-----------ERDAVTVLSGIRHGSTLGGPIAIEIGNTEWPKWETVMAADPVDPAELADVARNAPLTRPRPGHADYAGMLKYGFDDARPVLERASARETAARVAAGTVARAFLRQALGVEVLSHVISIGASAPYEGPPPRAEDLPAIDASPVRAYDKAAEADMIAQIEAAKKDGDTLGGVVEAVALG------LPVGLGSFTSGDHRLDSQLAAAVMGIQAIKGVEIGDGFQTARRRGSRAHDEMYPGPDGVVRSTNRAGGLEGGMTNGQPLRVRAAMKPISTVPRALATVDLATGDEAVAIHQRSDVCAVPAAGVVVETMVALVLARAALEKFGGDSLAETQRNIAA |
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General information:
TITO was launched using:
| RESULT:
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Template: 2O12.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -146679 for 2570 contacts (-57.1/contact) +
2D Compatibility (PS) -35426 + (NN) -18631 + (LL) 788
1D Compatibility (HY) -14800 + (ID) 5950
Total energy: -220698.0 ( -85.87 by residue)
QMean score : 0.455
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