Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAYPIKYIENNLVFNNDGECFAYYELIPYNYSFLSPDEKYQVHDNFRQLVAQSRDGKIHALQLATESSIRATQERSKLEVKGRLKEVAHRKIDEQTEALVSMIGDNQVDYRFFIGFKLLLNEQELSIQSVSQEIKKAVQEFLNGVNHKLMGDFVSMSNAEIDRFSKMENLLESKISRRFKIRKLDKNDFGYIIEHIYGQTGTPYEEYEYHLPKKYQDKEVLVKKYDILKPTRCLIDESQRYLKIIHEDETTYVAYFTINSIVGELDFPSSEIFYYQQQQFTFPIDTSMNVEIVANKKALTTVRNKKKELKDLDSHAWESDNETSNNVIDALDSVNELETTLDQSKESMYKLSYVVRVSAKDLDELKRRCDEVKDFYDDLSIKLVRPFGDMLGLHGEFIPASKRYINDYIQYVTSDFLAGLGFGATQTLGEHEGIYVGYNLDTGKNVYLKPALASQGVKGSVTNALASAFIGSLGGGKSFSNNMLVYYAVLFGGQAVIVDPKAERGKWKETLPEIAHEINIVNLTSDDENKGLLDPYVILSRKKDSESLAIDILTFLTGISSRDSDKFPVLRKAIRNVTQSEQRGLLLVIDELRKEDTSISNSIADHIESFVDYDFAHLLFSDGNVTQSISLEKQLNIIQVADLVLPDADTSFEEYTTMELLSVAMLIVISTFALDFIHTDRSIFKIVDLDEAWSFLQVAQ---GKTLSMKLVRAGRAMNAGVYFVTQNADDLLDEKMKNNIGLKFAFRSTDLVEIKKTLTFFGVDPEDENNQKRLRELENGQCLISDLYGRVGVMQFHPIFEELLQAFDTRPPIRNEVE |
2R2A Chain:A ((86-152)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NIGSIVIVDEAQDVWPARSAGSKIPENVQWLNTHRHQGIDIFVLTQGPKLLDQ-NLRTLVRKHYHIAS---------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2R2A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -21793 for 365 contacts (-59.7/contact) +
2D Compatibility (PS) -6598 + (NN) 286 + (LL) 52436
1D Compatibility (HY) -4400 + (ID) 550
Total energy: 19381.0 ( 53.10 by residue)
QMean score : 0.261
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