Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSDMVDLKKFVTELGKTQKELKNVIEQAKDIGLELKTNFKMTPEQAGKLYKYIVDGIKEQIQANQPTKNPKQDNKDDLNTAATPKPLAKKASKTPKKEETKAQPKPKKTKEKKKEAPAPIIKKKEIEIVNTFENQTPLVENTPKAVSHSQIEKAKQKLQEIQKSREALNKLTQSNTNTTNNANSASNVSNAKKEISEVKKQEQEIKRHENIKRRTGFRVIKRNDETENETENSVTESKKPTQSAAAIFEDIKKEWQEKDKQETKKTKKPSKPKATPTAKNNKSHKIDFSDVRDFKGNDIYDDETDEILLFDLHEQDNLNKEEEEKEARQNINDRVRVQRKNPWMNEAGIKRQSKKKRVFRNDNSQKVIQSAIAIPEEVRVYEFAQKANLNLADVIKTLFNLGLMVTKNDFLDKDSIEILAEEFHLEISVQNTLEEFEVEEVLEGVKKERPPVVTIMGHVDHGKTSLLDKIRDKRVAHTEAGGITQHIGA------------YMVEKNNKW------VSFIDTPGHEAFSQMRNRGAQVTDIAVIVIAADDGVKQQTIEALEHAKAANVPVIFAMNKMDKPNV--------------------------NPDKLKAECAELGYNPVDWGGEHEF------IPVSAKTGDGIDNLLETIL------IQADIMELKAIEEGSARAVVLEGSVEKGRGAVATVIVQSGTLSVGDSFFAETAFGKVRTMTDDQGKSIQNLKPSMVALITGLS----EVPPAGSVLI---GVENDSIARLQAQKRATYLRQKALSKSTKVSFDELSEMVANKELKNIPVIIKADTQGSLEAIKNSLLELNNEEVAIQVIHSGVGGITEND-----LSLVSSSEHAVILGFNIRPTGNVKNKAKEYNVSIKTYTVIYALIEGMRSLLLGLMSPIIEEEHTGQAEVRETFNIPKVGTIAGCVVSDGEIARGIKARLIRDGVVVHTGEILSLKRFKDDVKEVSKGYECGIMLDNYNEIKVGDVFETYKEIHKKRTL |
4NCL Chain:A ((9-446)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RSPICCILGHVDTGKTKLLDKIRQTNV-----GGITQQIGATYFPVEAIKQKTAVVNKDGKFEFKVPGLLIIDTPGHESFSNLRSRGSSLCNIAILVVDIMHGLEPQTIESLRLLRERKTPFVVALNKIDRLYGWKKIENNGFRESFALQNKAVQNEFRNRLDQVKLQFAEQGFNSELFYENKNFARYVSLVPTSAHTGEGIPDMLKLIVQLCQERMA-------ELQ-----ATVLEVKA----GVTIDVILSNGILREGDRIVLCGLEGPIKTNI----RALLTPAP------KGQYIHHKEVKAAQGVKISAPGLE----GAIAGSRLLVVGPDDDEEELEEEVESDLQSLFSRVEKTGKGVSVQASTLGSLEALLDFL-----KDCKIPVANVGIGPVYKRDVMQCGIMLEKAPDYAVMLCFDVKVDKEAQQYADENGIKIFTADIIYHLFDQFTKHMQEQLE------------------------------------------------------------------------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4NCL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -133899 for 2792 contacts (-48.0/contact) +
2D Compatibility (PS) -37679 + (NN) -9971 + (LL) 39644
1D Compatibility (HY) -24800 + (ID) 6000
Total energy: -172705.0 ( -61.86 by residue)
QMean score : 0.433
|
|
|