Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKKLISIVDVKDY-VGQEVTIGAWVANKSGKGKIAFVQLRDGSAFFQGVAFKPNFIEKYGEESGLEKFDVIKRLNQETSVYVTGIVKEDERSKFGYELDITDLEVIGE-SHEYPITPK---EHGTDFLMDNRHLWLRSRKQMAVMQIRNAIIYSTYEFFDQNGFIKFDSPILSENAAEDSTELFETDYFGKPAFLSQSGQLYLEAGAMALGRVFDFGPVFRAEKSKTRRHLTEFWMMDAEYSFLSHEESLDLQEAYVKALIQGVLDRAPQALDILERDVEALKRYIAEPFKRVSYDDAITLLQEHEADEDTDYEHLEHGDDFGSPHETWISNYFG-VPTFVVNYPASFKAFYMKPVPGNPERVLCADLLAPEGYGEIIGGSMREDDYDALVAKMDELGMDKSEYDFYLDLRKYGSVPHGGFGIGIERMVTFVAGTKHIREAIPFPRMLHRIKP |
1WYD Chain:A ((2-429)) | --YRSHFIADVTPEYDGKEVIWAGWVHLLRDLGGKKFIILRDKTGLGQVVVDKNS-----------SAFGISQELTQESVIQVRGIVKADKRAPRGIELHAEEITLLSKAKAPLPLDVSGKVKADIDTRLRERVLDLRRQEMQAVIKIQSLALKAFRETLYKEGFIEIFTPKIIASATEGGAQLFPVIYFGKEAFLAQSPQLYKELMAGVVERVFEVAPAWRAEESDTPFHLAEFISMDVEMAFADYNDVMQLLEKILHNIVKTIKEEGKEELKILNYEP----PEVKIPIKRLKYTEAIEILRSKG------YNI-KFGDDIGTPELRILNEELKEDLYFIVDWPSDARPFYTKSKSE-PELSESFDLIYK-FL-EIVSGSTRNHKREVLEEALKKKGLKPESFEFFLKWFDYGMPPHAGFGMGLARLMVMLTGIQSVKEIVPFPRDKKRLTP |
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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) -180423 for 3304 contacts (-54.6/contact) +
2D Compatibility (PS) -44193 + (NN) -9164 + (LL) 1376
1D Compatibility (HY) -26000 + (ID) 6650
Total energy: -265054.0 ( -80.22 by residue)
QMean score : 0.476
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