Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKPTWKIGIIVAAVPLIIIAVVLWGSFKEARYNLVSLPDDGVVLNNEQETLQFQKGNTLYRSWNSDQLIAKNDKEDTRNEIMESTILYLNKEALMFTKSVPVIDTNGVSSKLKGRQVYQQTNSSYKYKNSEIVENSIVKLANRQYYLNADATLYLGGKEIKKVTKPLLLIDKTGSVTIYENKKKSRFLGHMTLKVNDKTVLDASNETYTVGERKIDLASFGGTDNEKIVVKEDEKKEDKKKTAESAKKTASNTSQSENESNQTTKGTGNQLNATKKYGNNLNVGNGTSDSEPNDGKDTKNNGSGSNANGGTNQSGLNEIDDYEAVLRKIEDLNKKLERNIPVLRIGYIAPGVTSVKVSYNYADPNNTLIGVTKISAVDEKTGKTVNTQYVSAVDTEATLKGLSPNGKYHLEFTYQYDLGTNKGIQEVKMQSDSFTTQTVAA-IYQMQSV-----TSTTMKVNI--ALD--AQIDDVKRARIKVTKSDGDFFYMNVSANFLNGNGEILNATGLKPSTAYQFQTVIEMKNGETIELNSSEKYYTMQATVLKNLKASQSVNKVLQVQYDWSSADYTLNQAIIELEDEEDNTEVDYQIVNQEKGNIHLVPDTKSELINLKAKLVLKTTNNNTKESKTFEYPVKQEIEYDKQAKLTMDLTPFQTEENSEAQTEKQDVVAEKETNGNDLTAKMEDVLAPQNATYDMSFSMQRKALETYQLAFERKIAGIDDDNWTMWKSQQVTTDEAGQVKVTETISKLAKDSFDYRVAVYDAQGALQLYVYQK |
2JLL Chain:A ((250-374)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VQTMVVLNNLEPNTTYEIRVAAVNGKGQG----D---YSKIEIFQTLPVREPSPPSIHGQPSSGKSFKLSITKQDDGGAPILE---YIVKYRS-----QWLEK---KVQGNKDHIILEHLQWTMGYEVQITAANRLGY-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2JLL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -28968 for 560 contacts (-51.7/contact) +
2D Compatibility (PS) -12239 + (NN) -3161 + (LL) 40508
1D Compatibility (HY) -2400 + (ID) 1200
Total energy: -7460.0 ( -13.32 by residue)
QMean score : 0.295
|
|
|