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BestPal-E |
Calculates the best palindrome for given RNA sequence, and also a set suboptimal palindromes (sorted by energy)
Method description:
First the complementary matrix is built, and all helixes are detected. The they are sorted by their stability. Then starting each structure with one of most stable helixes from sorted list (each time different from others), the program upgrades them with compatible helixes until adding new helix gives no stability growth or when there are no more compatible helixes. Best N structures are written to user-defined file.
Output example:
==== structure 1 ==== Start End Energy 24 996 -173.6 Helices: 29 24 - 25 AC 996 - 995 UG 31 - 33 UCA 991 - 989 AGU 36 - 38 UCA 984 - 982 AGU 42 - 43 GA 978 - 977 CU 45 - 52 UGAUCGAU 975 - 968 GCUAGCUA 55 - 65 CUAGCUAGCUG 962 - 952 GAUCGAUCGAU 68 - 69 AC 948 - 947 UG 74 - 78 UGAUC 943 - 939 GCUAG 176 - 178 GUG 937 - 935 UAC 185 - 189 GCUAC 928 - 924 CGAUG 214 - 225 GUCGUACGUAGC 918 - 907 UAGCAUGCAUCG 503 - 513 AUCGUACGUAC 906 - 896 UAGCAUGCAUG 526 - 528 CUC 891 - 889 GGG 531 - 538 UACGUACG 884 - 877 AUGCAUGC 539 - 543 UACGC 847 - 843 GUGUG 550 - 561 GCUACGUACGUG 835 - 824 CGAUGCAUGCAU 562 - 565 ACUG 806 - 803 UGAU 569 - 571 GCA 798 - 796 CGU 582 - 587 GUGCAU 793 - 788 UACGUA 593 - 596 CGAU 779 - 776 GCUA 598 - 602 ACUGU 770 - 766 UGAUG 608 - 620 UAGCAUGCAUCGA 760 - 748 AUCGUACGUAGCU 621 - 622 GC 741 - 740 CG 627 - 629 GGC 734 - 732 UCG 631 - 636 GUCAGC 727 - 722 UAGUCG 639 - 641 GGU 716 - 714 UCG 642 - 648 GCUACGU 705 - 699 CGAUGCA 660 - 665 UGAUCG 697 - 692 GCUAGU 670 - 672 UAG 686 - 684 AUC ==== structure 2 ==== Start End Energy 3 998 -172.1 Helices: 24 3 - 8 GUACUA 998 - 993 CAUGGU 12 - 14 GUG 988 - 986 CAU 23 - 24 CA 983 - 982 GU 28 - 32 UGAUC 979 - 975 GCUAG 45 - 52 UGAUCGAU 971 - 964 GCUAGCUA 55 - 65 CUAGCUAGCUG 958 - 948 GAUCGAUCGAU 74 - 78 UGAUC 943 - 939 GCUAG 178 - 180 GUG 937 - 935 UAC 185 - 189 GCUAC 928 - 924 CGAUG 214 - 225 GUCGUACGUAGC 918 - 907 UAGCAUGCAUCG 503 - 513 AUCGUACGUAC 906 - 896 UAGCAUGCAUG 526 - 528 CUC 891 - 889 GGG 531 - 538 UACGUACG 884 - 877 AUGCAUGC 539 - 543 UACGC 847 - 843 GUGUG 550 - 561 GCUACGUACGUG 835 - 824 CGAUGCAUGCAU 567 - 570 CUGC 816 - 813 GAUG 578 - 583 ACUAGU 806 - 801 UGAUCG 607 - 620 GUAGCAUGCAUCGA 798 - 785 CGUCGUACGUAGCU 626 - 628 CGG 783 - 781 GCU 631 - 636 GUCAGC 777 - 772 UAGUCG 641 - 643 UGC 771 - 769 AUG 698 - 709 UACGUAGCUAGU 768 - 757 AUGCAUCGAUCG 714 - 715 GC 754 - 753 CG 720 - 725 UAGCUG 743 - 738 AUCGAU ..........