Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKKLISIVDVKDYVGQEVTIGAWVANKSGKG-KIAFVQLRDGSAFFQGVAFKPNFIEKYGEESGLEKFDVIKRLNQETSVYVTGIVKEDERS--------KFGYELDITDLEVIGE-SHEYPITP-KEHGTDFLMDNRHLWLRSRKQMAVMQIRNAIIYSTYEFFDQNGFIKFDSPILSENAAEDSTELFETDYFGKPAFLSQSGQLYLEAGAMALGRVFDFGPVFRAEKSKTRRHLTEFWMMDAEYSFLSHEESLDLQEAYVKALIQGVLDRAPQALDILERDVEALKRYIAEPFKRVSYDDAITLLQEHEADEDTDYEHLEHGDDFGSPHETWISNYFGVPTFVVNYPASFKAFYMKPVPGNPERVLCADLLAPEGYGEIIGGSMREDDYDALVAKMDELGMDKSEYDFYLDLRKYGSVPHGGFGIGIERMVTFVAGTKHIREAIPFPRMLHRIKP |
3M4P Chain:A ((20-456)) | -----CNIRDAAGLEGKLVTFKGWAYHIRKARKTLIFVELRDGSGYCQCVIFGKE--------L--CEPEKVKLLTRECSLEITGRLNAYAGKNHPPEIADILNLEMQVTEWKVIGESPIDLENIINKDSSIPQKMQNRHIVIRSEHTQQVLQLRSEIQWYFRKYYHDNHFTEIQPPTIVK------STLFKLQYFNEPAYLTQSSQLYLESVIASLGKSFCMLSSYRAEQSRTVRHLAEYLHLEAELPFISFEDLLNHLEDLVCTVIDNVMAVHGDKIRKMNPHL----KLPTRPFKRMTYADAIKYCNDHGILNK-DKPF-EYGEDISEKPERQMTDEIGCPIFMIHFPSKMKAFYMSKVPGHPDLTESVDLLMP-GVGEIVGGSMRIWNYDELMGAYKANGLNPDPYYWYTQQRKYGSCPHGGYGLGVERLVMWLLGEDHIRKVCLYPRYLERCEP |
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General information:
TITO was launched using:
| RESULT:
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Template: 3M4P.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -162377 for 3177 contacts (-51.1/contact) +
2D Compatibility (PS) -44591 + (NN) -12536 + (LL) 2148
1D Compatibility (HY) -35200 + (ID) 7350
Total energy: -259906.0 ( -81.81 by residue)
QMean score : 0.457
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