==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 05-MAR-02 1IUH . COMPND 2 MOLECULE: 2'-5' RNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.KATO,H.SAKAI,M.SHIROUZU,S.KURAMITSU,S.YOKOYAMA,RIKEN . 183 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 29.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 16 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 0 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 35 0, 0.0 47,-3.7 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 135.0 8.9 3.1 29.6 2 2 A R E -AB 47 162A 111 160,-0.6 160,-2.3 45,-0.3 2,-0.3 -0.864 360.0-177.9 -96.8 112.9 9.5 6.5 28.1 3 3 A L E +AB 46 161A 1 43,-2.1 42,-2.8 -2,-0.8 43,-0.9 -0.846 18.1 169.1-119.6 155.3 6.1 8.2 28.2 4 4 A F E -AB 44 160A 8 156,-1.7 156,-2.5 -2,-0.3 2,-0.4 -0.974 29.9-123.7-155.6 154.9 4.5 11.5 27.2 5 5 A Y E +AB 43 159A 0 38,-2.7 37,-2.8 -2,-0.3 38,-1.4 -0.874 42.5 162.5 -98.7 139.9 1.0 13.0 26.9 6 6 A A E -AB 41 158A 0 152,-2.3 152,-2.8 -2,-0.4 2,-0.5 -0.978 39.5-121.0-153.5 166.0 0.1 14.4 23.5 7 7 A V E -A 40 0A 2 33,-2.8 33,-2.2 -2,-0.3 2,-0.2 -0.952 26.8-152.6-110.8 124.9 -2.6 15.5 21.1 8 8 A F E -A 39 0A 63 -2,-0.5 148,-0.2 148,-0.2 31,-0.1 -0.579 21.3-120.8 -91.5 164.1 -2.9 13.6 17.8 9 9 A L - 0 0 13 29,-0.5 2,-0.1 -2,-0.2 29,-0.1 -0.734 9.7-116.7-117.0 154.3 -4.3 15.4 14.8 10 10 A P >> - 0 0 37 0, 0.0 4,-2.5 0, 0.0 3,-1.2 -0.367 41.4 -94.0 -83.2 164.0 -7.2 15.1 12.4 11 11 A E H 3> S+ 0 0 146 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.868 120.2 49.0 -40.2 -55.8 -6.9 14.6 8.6 12 12 A E H 3> S+ 0 0 92 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.816 113.4 49.4 -63.6 -26.5 -7.0 18.3 7.5 13 13 A V H <> S+ 0 0 0 -3,-1.2 4,-2.0 2,-0.2 5,-0.2 0.908 110.9 47.2 -76.7 -44.8 -4.4 19.2 10.0 14 14 A R H X S+ 0 0 64 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.926 112.3 52.2 -65.3 -36.9 -2.0 16.5 9.1 15 15 A A H X S+ 0 0 37 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.2 0.902 107.8 48.9 -66.7 -36.4 -2.5 17.3 5.5 16 16 A A H X S+ 0 0 27 -4,-1.3 4,-1.0 -5,-0.2 -1,-0.2 0.882 116.1 45.1 -66.8 -36.7 -1.7 21.0 5.9 17 17 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.777 110.0 53.7 -74.2 -35.9 1.4 20.1 7.8 18 18 A V H X S+ 0 0 52 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.822 107.5 51.3 -71.4 -28.2 2.4 17.4 5.3 19 19 A E H < S+ 0 0 130 -4,-1.8 3,-0.4 -5,-0.2 4,-0.4 0.859 108.7 53.0 -74.7 -29.1 2.1 20.0 2.6 20 20 A A H >< S+ 0 0 4 -4,-1.0 3,-2.4 1,-0.2 -2,-0.2 0.951 100.5 59.1 -65.9 -49.7 4.4 22.2 4.8 21 21 A Q H >< S+ 0 0 21 -4,-2.5 3,-2.1 1,-0.3 4,-0.3 0.746 89.4 78.7 -50.4 -24.8 7.0 19.4 5.1 22 22 A T G >< S+ 0 0 81 -4,-0.6 3,-1.4 -3,-0.4 -1,-0.3 0.836 79.1 65.3 -55.7 -36.0 7.1 19.7 1.4 23 23 A K G < S+ 0 0 109 -3,-2.4 -1,-0.3 -4,-0.4 -2,-0.2 0.596 102.9 51.5 -67.8 -3.0 9.3 22.8 1.5 24 24 A V G X S+ 0 0 3 -3,-2.1 3,-1.1 -4,-0.2 6,-0.3 0.492 77.3 90.3-117.5 -1.2 12.0 20.7 3.0 25 25 A R T < S+ 0 0 213 -3,-1.4 -1,-0.1 -4,-0.3 -2,-0.1 0.767 80.6 63.8 -64.8 -30.9 12.4 17.6 0.8 26 26 A P T 3 S+ 0 0 97 0, 0.0 2,-0.9 0, 0.0 -1,-0.3 0.723 95.3 73.7 -66.7 -17.1 15.1 19.3 -1.4 27 27 A F X - 0 0 68 -3,-1.1 3,-2.8 1,-0.1 113,-0.0 -0.755 60.8-172.1-107.8 98.4 17.2 19.3 1.8 28 28 A R T 3 S+ 0 0 243 -2,-0.9 -1,-0.1 1,-0.3 109,-0.1 0.658 82.2 72.3 -59.7 -14.9 18.6 16.0 2.8 29 29 A G T 3 S+ 0 0 3 110,-0.3 108,-1.7 108,-0.1 109,-1.6 0.688 85.6 83.5 -74.2 -11.2 19.8 17.4 6.1 30 30 A W E < -C 136 0A 12 -3,-2.8 106,-0.2 -6,-0.3 58,-0.0 -0.795 64.6-158.6 -97.2 127.6 16.1 17.5 7.2 31 31 A K E -C 135 0A 86 104,-3.0 104,-2.5 -2,-0.5 2,-0.3 -0.871 17.1-144.8-105.3 112.3 14.4 14.5 8.6 32 32 A P E -C 134 0A 62 0, 0.0 102,-0.3 0, 0.0 101,-0.1 -0.563 15.3-117.4 -82.3 140.9 10.7 14.8 8.3 33 33 A V - 0 0 23 100,-1.5 5,-0.1 -2,-0.3 -12,-0.1 -0.548 37.4-107.0 -71.9 130.5 8.4 13.4 11.0 34 34 A P >> - 0 0 63 0, 0.0 3,-2.2 0, 0.0 4,-0.7 -0.414 30.6-120.4 -57.6 137.1 6.1 10.6 9.6 35 35 A P G >4 S+ 0 0 57 0, 0.0 3,-1.3 0, 0.0 -2,-0.1 0.861 112.0 55.5 -52.3 -45.3 2.5 12.1 9.2 36 36 A H G 34 S+ 0 0 152 1,-0.3 -27,-0.1 -28,-0.1 -22,-0.0 0.599 109.1 49.1 -70.0 -5.9 1.0 9.5 11.5 37 37 A Q G <4 S+ 0 0 36 -3,-2.2 -1,-0.3 -29,-0.0 -4,-0.0 0.498 79.6 120.8-103.6 -7.2 3.5 10.6 14.2 38 38 A L << + 0 0 1 -3,-1.3 -29,-0.5 -4,-0.7 2,-0.3 -0.326 42.3 139.3 -56.7 135.5 2.8 14.3 13.8 39 39 A H E -A 8 0A 21 93,-0.3 2,-0.6 -31,-0.1 93,-0.6 -0.982 54.0-116.5-171.6 162.5 1.6 15.5 17.2 40 40 A L E -AD 7 131A 0 -33,-2.2 -33,-2.8 -2,-0.3 2,-0.4 -0.943 31.8-141.3-113.3 118.4 1.7 18.2 19.9 41 41 A T E -A 6 0A 46 -2,-0.6 -35,-0.3 89,-0.5 89,-0.2 -0.592 17.3-175.0 -79.6 129.0 3.1 17.1 23.2 42 42 A L E S- 0 0 0 -37,-2.8 2,-0.3 -2,-0.4 -36,-0.2 0.821 76.5 -3.9 -92.0 -27.4 1.4 18.4 26.4 43 43 A L E -A 5 0A 2 -38,-1.4 -38,-2.7 62,-0.1 2,-0.4 -0.827 62.3-147.8-166.1 117.7 3.9 16.9 28.8 44 44 A F E -A 4 0A 62 -2,-0.3 -40,-0.3 -40,-0.2 -38,-0.0 -0.740 11.2-173.5 -88.3 133.8 7.0 14.7 28.3 45 45 A L E - 0 0 0 -42,-2.8 -41,-0.2 -2,-0.4 2,-0.1 0.641 18.2-153.8-104.4 -14.6 7.7 12.2 31.2 46 46 A G E -A 3 0A 2 -43,-0.9 -43,-2.1 74,-0.1 2,-0.6 -0.504 60.4 -6.7 76.4-150.8 11.0 10.6 30.2 47 47 A E E S+A 2 0A 128 -45,-0.3 -45,-0.3 -2,-0.1 0, 0.0 -0.718 74.7 179.6 -84.4 118.8 11.8 7.1 31.5 48 48 A R - 0 0 34 -47,-3.7 2,-0.2 -2,-0.6 -2,-0.1 -0.935 29.9-110.9-124.0 140.9 9.1 6.0 34.0 49 49 A P > - 0 0 67 0, 0.0 3,-3.1 0, 0.0 4,-0.3 -0.539 27.6-120.5 -70.9 139.3 8.8 2.7 36.0 50 50 A E G > S+ 0 0 140 1,-0.3 3,-1.6 -2,-0.2 -2,-0.0 0.749 108.6 74.4 -46.1 -31.4 5.9 0.4 34.9 51 51 A E G 3 S+ 0 0 144 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.767 92.2 55.3 -60.0 -21.4 4.6 0.7 38.4 52 52 A E G X> S+ 0 0 14 -3,-3.1 4,-2.3 1,-0.2 3,-0.8 0.562 77.0 97.1 -89.5 -10.5 3.5 4.3 37.6 53 53 A L H <> S+ 0 0 39 -3,-1.6 4,-2.7 -4,-0.3 5,-0.2 0.886 81.4 52.5 -42.0 -55.1 1.3 3.4 34.5 54 54 A P H 3> S+ 0 0 77 0, 0.0 4,-3.2 0, 0.0 -1,-0.3 0.845 109.1 51.7 -51.8 -41.3 -2.0 3.3 36.4 55 55 A D H <> S+ 0 0 63 -3,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.921 110.4 46.0 -66.9 -47.0 -1.3 6.8 37.9 56 56 A Y H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.908 115.3 49.4 -63.1 -34.1 -0.6 8.3 34.5 57 57 A L H X S+ 0 0 45 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.940 112.8 45.8 -66.1 -45.9 -3.8 6.5 33.2 58 58 A A H X S+ 0 0 50 -4,-3.2 4,-3.3 1,-0.2 5,-0.2 0.910 109.5 54.9 -66.5 -39.7 -5.9 7.8 36.1 59 59 A L H X S+ 0 0 11 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.930 108.4 50.2 -58.3 -41.3 -4.4 11.3 35.7 60 60 A G H X S+ 0 0 0 -4,-2.0 4,-3.1 -5,-0.2 -2,-0.2 0.953 110.9 47.1 -64.6 -47.7 -5.5 11.2 32.1 61 61 A H H X S+ 0 0 87 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.922 112.9 51.2 -61.1 -41.7 -9.1 10.1 32.9 62 62 A R H X S+ 0 0 124 -4,-3.3 4,-1.1 1,-0.2 3,-0.3 0.971 113.4 41.8 -59.1 -54.9 -9.3 12.7 35.6 63 63 A L H >X S+ 0 0 18 -4,-2.6 4,-1.4 1,-0.2 3,-1.0 0.926 110.9 58.8 -59.2 -43.9 -8.2 15.6 33.4 64 64 A A H 3< S+ 0 0 6 -4,-3.1 116,-2.4 -5,-0.3 117,-0.9 0.839 106.0 47.5 -53.9 -41.0 -10.3 14.3 30.5 65 65 A R H 3< S+ 0 0 167 -4,-1.9 117,-0.4 -3,-0.3 -1,-0.2 0.683 111.2 51.8 -77.7 -14.6 -13.6 14.5 32.5 66 66 A L H << S+ 0 0 82 -4,-1.1 117,-0.6 -3,-1.0 2,-0.4 0.720 103.2 60.9 -92.0 -23.5 -12.8 18.0 33.8 67 67 A E S < S- 0 0 22 -4,-1.4 114,-2.6 114,-0.2 113,-0.6 -0.878 71.8-134.9-115.5 140.9 -12.1 19.8 30.5 68 68 A A - 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