==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-JAN-02 1KSK . COMPND 2 MOLECULE: RIBOSOMAL SMALL SUBUNIT PSEUDOURIDINE SYNTHASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SIVARAMAN,V.SAUVE,R.LAROCQUE,E.A.STURA,J.D.SCHRAG, . 234 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 23.5 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 1 0.4 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 . 21 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 0 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 . 0 4 3 0 1 2 1 0 0 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 . 1 0 1 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 1AA G 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 62.3 27.0 34.6 3.4 2 1BA S + 0 0 84 60,-0.0 2,-0.3 43,-0.0 59,-0.0 -0.279 360.0 141.4 -63.9 147.0 26.5 33.4 -0.1 3 1CA H - 0 0 103 42,-0.1 2,-0.3 43,-0.1 42,-0.2 -0.959 22.8-168.5-173.9 167.3 24.1 35.4 -2.3 4 1 A X E -A 44 0A 39 40,-1.6 40,-2.9 -2,-0.3 2,-0.1 -0.984 35.2 -81.0-165.6 160.1 23.6 36.7 -5.8 5 2 A R E > -A 43 0A 107 -2,-0.3 4,-2.0 38,-0.2 38,-0.2 -0.389 36.2-128.2 -65.5 144.1 21.6 39.0 -8.1 6 3 A L H > S+ 0 0 0 36,-2.1 4,-2.1 1,-0.2 35,-0.2 0.844 109.1 53.6 -62.4 -33.5 18.3 37.6 -9.2 7 4 A D H > S+ 0 0 4 33,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.880 107.3 49.1 -71.8 -34.5 19.1 38.4 -12.8 8 5 A K H > S+ 0 0 121 32,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.891 111.0 51.4 -70.2 -35.5 22.4 36.6 -12.7 9 6 A F H X S+ 0 0 3 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.953 112.1 45.8 -64.0 -48.3 20.7 33.5 -11.2 10 7 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.895 111.2 51.7 -62.4 -40.5 18.0 33.5 -13.9 11 8 A A H X>S+ 0 0 15 -4,-2.2 5,-1.4 2,-0.2 4,-1.1 0.870 111.4 49.2 -62.6 -37.9 20.6 34.0 -16.7 12 9 A Q H <5S+ 0 0 109 -4,-1.8 3,-0.3 -5,-0.2 -2,-0.2 0.966 115.0 43.4 -64.1 -53.9 22.5 31.0 -15.2 13 10 A Q H <5S+ 0 0 72 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.845 120.6 37.5 -63.1 -41.9 19.4 28.8 -15.1 14 11 A L H <5S- 0 0 62 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.566 105.1-119.9 -90.8 -8.5 17.8 29.6 -18.4 15 12 A G T <5S+ 0 0 67 -4,-1.1 2,-0.2 -3,-0.3 -3,-0.2 0.876 71.4 123.1 72.7 36.6 21.1 29.8 -20.4 16 13 A V < - 0 0 54 -5,-1.4 -1,-0.2 -6,-0.3 -2,-0.1 -0.703 67.1 -85.2-122.3 174.4 20.5 33.5 -21.4 17 14 A S > - 0 0 67 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.394 37.6-114.6 -76.5 159.6 22.4 36.8 -21.1 18 15 A R H > S+ 0 0 137 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.889 118.0 58.1 -61.4 -35.1 22.0 38.9 -17.9 19 16 A A H > S+ 0 0 76 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.902 109.0 42.6 -62.1 -41.9 20.3 41.5 -20.1 20 17 A I H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.827 108.7 59.0 -75.6 -28.7 17.6 39.1 -21.3 21 18 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.924 104.2 52.6 -63.6 -39.4 17.2 37.7 -17.8 22 19 A G H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.879 104.8 55.0 -62.5 -37.5 16.3 41.2 -16.7 23 20 A R H X S+ 0 0 137 -4,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.922 110.0 46.0 -61.3 -44.0 13.7 41.4 -19.4 24 21 A E H <>S+ 0 0 14 -4,-1.9 5,-1.8 2,-0.2 6,-0.4 0.897 110.0 53.5 -66.6 -41.8 12.0 38.3 -18.1 25 22 A I H ><5S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 5,-0.4 0.921 112.5 44.3 -60.0 -41.9 12.1 39.5 -14.5 26 23 A R H 3<5S+ 0 0 129 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.761 102.1 68.7 -74.1 -23.0 10.4 42.7 -15.6 27 24 A G T 3<5S- 0 0 44 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.273 114.7-114.3 -78.5 12.5 8.0 40.7 -17.7 28 25 A N T < 5S+ 0 0 86 -3,-1.1 -3,-0.2 9,-0.1 -2,-0.1 0.668 84.0 120.1 64.2 22.0 6.5 39.3 -14.4 29 26 A R < + 0 0 100 -5,-1.8 24,-2.5 23,-0.1 2,-0.4 0.504 54.9 78.2 -93.6 -3.9 7.6 35.7 -15.1 30 27 A V E -B 52 0B 1 -5,-0.4 7,-1.9 -6,-0.4 2,-0.3 -0.900 55.4-177.3-113.8 135.2 9.8 35.3 -12.0 31 28 A T E -BC 51 36B 35 20,-2.6 20,-2.8 -2,-0.4 2,-0.4 -0.924 11.2-163.5-127.8 148.6 8.6 34.6 -8.5 32 29 A V E > S-BC 50 35B 8 3,-2.8 3,-2.1 -2,-0.3 18,-0.2 -0.992 82.3 -11.3-134.0 124.6 10.4 34.3 -5.1 33 30 A D T 3 S- 0 0 82 16,-2.8 17,-0.1 -2,-0.4 -1,-0.1 0.838 130.5 -56.6 54.2 35.4 8.7 32.7 -2.2 34 31 A G T 3 S+ 0 0 66 15,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.265 116.4 108.2 85.2 -11.6 5.5 32.9 -4.2 35 32 A E E < S-C 32 0B 145 -3,-2.1 -3,-2.8 1,-0.0 2,-0.2 -0.800 74.3-110.8-104.4 142.2 5.6 36.6 -4.8 36 33 A I E -C 31 0B 105 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.503 30.3-165.5 -69.1 128.8 6.3 38.3 -8.1 37 34 A V + 0 0 18 -7,-1.9 -7,-0.3 -2,-0.2 -9,-0.1 -0.988 14.7 176.2-119.1 123.5 9.7 40.1 -8.1 38 35 A R + 0 0 131 -2,-0.5 2,-0.7 -10,-0.1 -1,-0.1 0.248 50.6 102.1-107.3 8.0 10.3 42.6 -11.0 39 36 A N > - 0 0 100 1,-0.1 3,-1.8 -14,-0.1 -33,-0.2 -0.856 53.8-162.0-102.5 113.2 13.6 43.9 -9.8 40 37 A A T 3 S+ 0 0 13 -2,-0.7 -33,-2.0 1,-0.3 -32,-0.3 0.765 91.9 55.9 -60.6 -27.4 16.6 42.5 -11.6 41 38 A A T 3 S+ 0 0 46 -35,-0.2 -1,-0.3 -36,-0.2 3,-0.0 0.440 73.9 137.8 -87.5 -0.1 18.9 43.6 -8.8 42 39 A F < - 0 0 62 -3,-1.8 -36,-2.1 1,-0.1 2,-0.9 -0.183 59.7-121.3 -47.1 130.7 17.0 41.8 -6.1 43 40 A K E -A 5 0A 127 -38,-0.2 2,-0.4 -37,-0.1 -38,-0.2 -0.706 27.8-150.5 -84.2 105.2 19.5 40.1 -3.7 44 41 A L E -A 4 0A 0 -40,-2.9 -40,-1.6 -2,-0.9 -1,-0.0 -0.616 11.3-164.5 -81.1 128.4 18.8 36.4 -3.8 45 42 A L > - 0 0 57 -2,-0.4 3,-2.2 -42,-0.2 -42,-0.1 -0.805 32.7-109.3-111.4 153.5 19.6 34.4 -0.6 46 43 A P T 3 S+ 0 0 80 0, 0.0 13,-0.2 0, 0.0 -43,-0.1 0.801 116.5 58.0 -47.7 -37.7 19.9 30.6 -0.2 47 44 A E T 3 S+ 0 0 146 2,-0.1 2,-0.1 0, 0.0 -3,-0.0 0.646 87.1 98.9 -71.1 -16.0 16.6 30.4 1.8 48 45 A H < - 0 0 27 -3,-2.2 2,-0.6 -16,-0.0 11,-0.2 -0.453 66.2-144.3 -73.4 147.0 14.6 32.0 -1.0 49 46 A D - 0 0 118 -2,-0.1 -16,-2.8 9,-0.1 -15,-0.5 -0.941 17.5-158.1-117.4 111.1 12.7 29.7 -3.4 50 47 A V E -BD 32 57B 7 7,-0.6 7,-3.3 -2,-0.6 2,-0.4 -0.650 8.9-172.1 -93.0 142.4 12.6 30.9 -7.0 51 48 A A E -BD 31 56B 5 -20,-2.8 -20,-2.6 -2,-0.3 2,-0.5 -0.977 12.1-157.6-132.8 145.7 10.1 30.0 -9.7 52 49 A Y E > S-BD 30 55B 30 3,-3.1 3,-2.1 -2,-0.4 -22,-0.2 -0.972 84.1 -21.7-123.9 114.4 10.0 30.7 -13.4 53 50 A D T 3 S- 0 0 82 -24,-2.5 -23,-0.1 -2,-0.5 -1,-0.1 0.761 129.0 -52.4 58.1 25.0 6.5 30.6 -15.0 54 51 A G T 3 S+ 0 0 63 -25,-0.3 -1,-0.3 1,-0.3 -24,-0.1 0.091 113.9 120.5 100.2 -24.0 5.4 28.5 -12.1 55 52 A N E < -D 52 0B 98 -3,-2.1 -3,-3.1 1,-0.1 -1,-0.3 -0.632 66.8-120.7 -79.5 125.9 8.2 26.0 -12.5 56 53 A P E -D 51 0B 116 0, 0.0 2,-0.6 0, 0.0 -5,-0.3 -0.416 19.7-157.9 -67.6 136.6 10.5 25.8 -9.4 57 54 A L E -D 50 0B 28 -7,-3.3 -7,-0.6 -2,-0.1 -44,-0.0 -0.909 12.9-145.5-118.1 101.0 14.2 26.6 -9.9 58 55 A A - 0 0 62 -2,-0.6 2,-0.5 -9,-0.1 -9,-0.1 -0.358 23.4-110.7 -64.5 144.1 16.3 25.0 -7.2 59 56 A Q - 0 0 48 -11,-0.2 2,-0.9 -13,-0.2 -1,-0.1 -0.668 21.1-148.9 -81.2 123.0 19.3 27.0 -6.2 60 57 A Q - 0 0 50 -2,-0.5 2,-0.1 -3,-0.0 -1,-0.0 -0.822 22.0-134.2 -92.4 104.7 22.6 25.5 -7.2 61 58 A H - 0 0 140 -2,-0.9 3,-0.1 1,-0.1 -1,-0.0 -0.386 29.6 -99.3 -61.8 128.8 25.0 26.6 -4.5 62 59 A G - 0 0 40 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 0.139 44.2 -91.8 -43.4 160.9 28.3 27.8 -5.9 63 60 A P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.549 39.8-149.4 -80.1 147.0 31.4 25.6 -5.9 64 61 A R - 0 0 46 -2,-0.2 52,-1.1 -3,-0.1 53,-0.4 -0.872 10.7-169.3-116.8 150.6 33.7 25.7 -2.9 65 62 A Y E -E 115 0C 29 -2,-0.3 160,-2.5 50,-0.2 2,-0.3 -0.990 6.8-177.3-141.9 131.7 37.5 25.0 -2.7 66 63 A F E -EF 114 224C 9 48,-2.6 48,-1.6 -2,-0.3 2,-0.5 -0.948 22.6-141.4-133.4 151.5 39.8 24.6 0.3 67 64 A X E -EF 113 223C 0 156,-3.3 156,-1.8 -2,-0.3 2,-0.4 -0.939 27.9-173.3-106.6 122.5 43.5 24.1 1.1 68 65 A L E -EF 112 222C 0 44,-2.6 44,-1.6 -2,-0.5 2,-1.1 -0.947 26.3-144.4-122.3 139.4 44.0 21.7 4.1 69 66 A N E -E 111 0C 13 152,-2.4 151,-3.3 -2,-0.4 42,-0.2 -0.847 33.5-144.8 -98.2 98.2 47.2 20.7 5.9 70 67 A K E -E 110 0C 0 40,-2.7 40,-1.7 -2,-1.1 2,-0.2 -0.437 11.9-153.3 -68.4 128.0 46.4 17.1 6.5 71 68 A P > - 0 0 20 0, 0.0 3,-0.8 0, 0.0 37,-0.2 -0.524 26.5 -90.2 -96.8 170.7 47.6 15.5 9.9 72 69 A Q T 3 S+ 0 0 92 1,-0.2 35,-0.2 35,-0.2 34,-0.1 -0.335 102.9 41.8 -75.3 160.7 48.4 11.9 10.6 73 70 A G T 3 S+ 0 0 31 33,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.365 95.1 91.6 87.0 -3.7 45.8 9.5 11.9 74 71 A Y < - 0 0 52 32,-0.8 2,-0.2 -3,-0.8 11,-0.2 -0.916 61.5-140.8-123.8 152.3 42.9 10.7 9.6 75 72 A V B -m 85 0D 18 9,-2.2 11,-2.0 -2,-0.3 30,-0.1 -0.710 13.7-130.7-112.6 164.7 41.8 9.4 6.2 76 73 A C S S+ 0 0 16 28,-0.5 24,-0.5 -2,-0.2 2,-0.3 -0.003 82.9 27.1-102.2 27.3 40.5 11.1 3.0 77 74 A S S S- 0 0 28 3,-0.1 3,-0.4 22,-0.1 -2,-0.1 -0.964 74.9-113.1-170.4 169.2 37.4 9.1 2.3 78 75 A T S S+ 0 0 118 -2,-0.3 7,-0.0 1,-0.2 5,-0.0 0.316 85.6 105.1 -95.5 8.0 34.7 7.0 3.9 79 76 A D S S+ 0 0 121 1,-0.1 -1,-0.2 2,-0.1 0, 0.0 0.904 80.3 48.0 -53.1 -45.9 35.9 3.9 2.2 80 77 A D - 0 0 63 -3,-0.4 3,-0.5 1,-0.1 -3,-0.1 -0.884 65.0-168.7-104.0 125.1 37.5 2.7 5.5 81 78 A P S S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.430 73.7 79.1 -88.4 -3.2 35.3 2.8 8.7 82 79 A D S S+ 0 0 131 2,-0.1 -2,-0.0 1,-0.0 0, 0.0 0.545 94.8 44.4 -83.1 -8.2 38.2 2.1 11.2 83 80 A H S S- 0 0 80 -3,-0.5 -9,-0.1 -5,-0.0 2,-0.1 -0.983 86.7-106.9-137.8 149.2 39.5 5.7 11.2 84 81 A P - 0 0 70 0, 0.0 -9,-2.2 0, 0.0 2,-0.2 -0.399 36.6-123.4 -72.7 150.6 38.0 9.2 11.3 85 82 A T B > -m 75 0D 31 -11,-0.2 3,-1.8 -9,-0.1 -9,-0.2 -0.482 23.8-105.1 -92.1 164.7 38.0 11.3 8.1 86 83 A V G >> S+ 0 0 3 -11,-2.0 3,-2.1 1,-0.3 4,-0.5 0.636 106.0 87.2 -63.8 -13.6 39.5 14.7 7.6 87 84 A L G >4 S+ 0 0 50 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.728 71.6 78.2 -60.5 -15.2 36.0 16.2 7.7 88 85 A Y G <4 S+ 0 0 161 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.850 94.3 47.6 -59.1 -34.6 36.6 16.3 11.5 89 86 A F G <4 S+ 0 0 53 -3,-2.1 2,-0.4 -4,-0.1 -1,-0.2 0.630 95.2 88.4 -83.8 -14.7 38.7 19.4 10.9 90 87 A L << - 0 0 15 -3,-0.7 2,-0.5 -4,-0.5 5,-0.1 -0.729 52.2-170.1 -92.0 132.5 36.3 21.3 8.7 91 88 A D + 0 0 146 -2,-0.4 -3,-0.1 4,-0.0 -1,-0.0 -0.736 45.1 119.7-117.4 75.2 33.7 23.5 10.2 92 89 A E > - 0 0 67 -2,-0.5 3,-0.9 0, 0.0 -2,-0.1 -0.965 67.2 -95.1-138.2 154.9 31.5 24.2 7.2 93 90 A P T 3 S+ 0 0 94 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.351 106.0 2.2 -68.5 150.3 27.8 23.6 6.3 94 91 A V T > S+ 0 0 63 1,-0.2 3,-1.8 2,-0.1 4,-0.1 0.849 80.5 164.4 37.4 45.6 27.0 20.4 4.3 95 92 A A G X + 0 0 14 -3,-0.9 3,-2.1 1,-0.3 -1,-0.2 0.745 59.9 75.8 -62.3 -23.0 30.7 19.6 4.6 96 93 A W G 3 S+ 0 0 181 1,-0.3 -1,-0.3 -9,-0.0 -2,-0.1 0.586 81.3 69.7 -67.1 -8.5 29.9 16.0 3.6 97 94 A K G < S+ 0 0 78 -3,-1.8 -1,-0.3 2,-0.0 2,-0.3 0.549 85.1 94.0 -82.8 -8.3 29.5 17.2 -0.0 98 95 A L < - 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