Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKKLISIVDVK-DYVGQEVTIGAWVANKSGKGKIAFVQLRDGSAFFQGVAFKPNFIEKYGEESGLEKFDVIKRLNQETSVYVTGIVKEDERSKFGYELDITDLEVIGESHEYPITPKEHG-----TDFLMDNRHLWLRSRKQMAVMQIRNAIIYSTYEFFDQNGFIKFDSPILSENAAEDSTELFETDYFGKPAFLSQSGQLYLEAGAMALGRVFDFGPVFRAEKSKTRRHLTEFWMMDAEYSFLSHEESLDLQEAYVKALIQGVLDRAPQALDILERDVEALKRYIAEPFKRVSYDDAITLLQEHEADEDTDYEHLEHGDDFGSPHETWISNYFGVPT-FVVNYPASFKAFYMKPVPGNPERVLCADLLAPEGYGEIIGGSMREDDYDALVAKMDELGMDKSEYDFYLDLRKYGSVPHGGFGIGIERMVTFVAGTKHIREAIPFPRMLHRIKP |
1WYD Chain:A ((7-429)) | -------IADVTPEYDGKEVIWAGWVHLLRDLGGKKFIILRDKTGLGQVVVDKNS-----------SAFGISQELTQESVIQVRGIVKADKRAPRGIELHAEEITLLSKA-KAPLPLDVSGKVKADIDTRLRERVLDLRRQEMQAVIKIQSLALKAFRETLYKEGFIEIFTPKIIASATEGGAQLFPVIYFGKEAFLAQSPQLYKELMAGVVERVFEVAPAWRAEESDTPFHLAEFISMDVEMAFADYNDVMQLLEKILHNIVKTIKEEGKEELKILNYEPPEVKI----PIKRLKYTEAIEILR-------SKGYNIKFGDDIGTPELRILNEELKEDLYFIVDWPSDARPFYTKSKSE-PELSESFDLIY--KFLEIVSGSTRNHKREVLEEALKKKGLKPESFEFFLKWFDYGMPPHAGFGMGLARLMVMLTGIQSVKEIVPFPRDKKRLTP |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WYD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -172000 for 3247 contacts (-53.0/contact) +
2D Compatibility (PS) -43652 + (NN) -10662 + (LL) 2088
1D Compatibility (HY) -26800 + (ID) 6750
Total energy: -257776.0 ( -79.39 by residue)
QMean score : 0.461
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