==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-JAN-07 2OLW . COMPND 2 MOLECULE: RIBOSOMAL LARGE SUBUNIT PSEUDOURIDINE SYNTHASE E; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.PAN,J.D.HO,R.M.STROUD,J.FINER-MOORE . 358 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 25.4 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 . 4 1.1 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 . 31 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 3 3 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 3 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 6 1 1 2 2 2 2 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 . 3 0 0 0 0 0 0 2 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 37 A Q 0 0 142 0, 0.0 202,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 134.4 -21.5 78.5 30.4 2 38 A P - 0 0 58 0, 0.0 2,-0.4 0, 0.0 52,-0.1 -0.214 360.0 -75.0 -66.4 168.6 -18.8 78.1 27.8 3 39 A T - 0 0 54 50,-0.1 2,-0.5 51,-0.0 50,-0.0 -0.590 52.5-161.9 -68.8 124.8 -15.9 75.7 28.5 4 40 A R - 0 0 26 -2,-0.4 50,-1.1 -3,-0.1 2,-0.5 -0.941 9.2-171.1-109.9 134.2 -13.6 77.4 30.9 5 41 A V E -A 53 0A 1 175,-1.7 174,-2.5 -2,-0.5 175,-0.8 -0.996 8.1-171.7-123.1 120.8 -10.0 76.2 31.4 6 42 A I E -AB 52 178A 0 46,-2.8 46,-3.1 -2,-0.5 2,-0.4 -0.957 11.0-153.7-116.4 131.2 -8.1 77.8 34.2 7 43 A L E -AB 51 177A 1 170,-3.1 170,-2.3 -2,-0.4 2,-0.4 -0.894 17.8-175.4-101.6 135.1 -4.4 77.3 34.9 8 44 A F E -AB 50 176A 0 42,-2.2 42,-2.4 -2,-0.4 2,-1.0 -0.994 26.9-141.2-133.9 139.0 -3.3 77.8 38.5 9 45 A N E -A 49 0A 0 166,-2.2 165,-2.9 -2,-0.4 40,-0.2 -0.838 33.9-145.8 -99.6 95.1 0.2 77.7 40.1 10 46 A K E -A 48 0A 0 38,-3.0 38,-2.0 -2,-1.0 3,-0.1 -0.480 5.1-135.0 -72.7 123.0 -0.7 75.9 43.3 11 47 A P > - 0 0 5 0, 0.0 3,-1.1 0, 0.0 35,-0.1 -0.336 34.6 -85.9 -65.4 158.5 1.2 76.8 46.4 12 48 A Y T 3 S+ 0 0 44 1,-0.2 33,-0.2 33,-0.1 35,-0.1 -0.321 111.5 22.1 -57.1 141.1 2.6 74.2 48.8 13 49 A D T 3 S+ 0 0 81 31,-2.1 12,-0.6 33,-0.3 2,-0.5 0.696 92.3 120.7 70.3 24.4 0.1 72.9 51.5 14 50 A V B < -i 25 0B 6 -3,-1.1 -1,-0.2 30,-0.9 12,-0.2 -0.965 62.3-126.1-117.0 134.5 -3.0 73.8 49.5 15 51 A L - 0 0 10 10,-3.2 2,-1.8 -2,-0.5 12,-0.2 -0.526 20.2-122.0 -76.7 144.6 -5.5 71.1 48.5 16 52 A P S S+ 0 0 5 0, 0.0 22,-0.4 0, 0.0 2,-0.3 -0.241 82.4 80.3 -81.1 51.1 -6.4 70.9 44.8 17 53 A Q - 0 0 25 -2,-1.8 10,-2.9 20,-0.1 11,-0.3 -0.987 68.1-141.7-152.1 159.2 -10.1 71.5 45.5 18 54 A F S S+ 0 0 37 -2,-0.3 10,-0.2 8,-0.2 2,-0.1 0.698 71.8 105.0 -95.4 -21.3 -12.8 74.1 46.2 19 55 A T S S- 0 0 108 1,-0.1 8,-0.1 8,-0.1 -2,-0.1 -0.377 82.3-106.9 -65.4 129.9 -14.7 71.9 48.7 20 56 A D - 0 0 90 -2,-0.1 2,-0.4 6,-0.1 -1,-0.1 -0.243 35.8-173.2 -52.8 140.1 -14.1 73.1 52.3 21 57 A E > - 0 0 74 3,-0.4 3,-2.0 -3,-0.1 -6,-0.1 -0.938 27.2-121.6-137.7 115.9 -12.0 70.8 54.4 22 58 A A T 3 S+ 0 0 102 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 -0.317 97.7 16.5 -57.5 131.1 -11.6 71.7 58.1 23 59 A G T 3 S+ 0 0 85 1,-0.2 2,-0.3 309,-0.1 -1,-0.3 0.471 112.8 92.0 87.1 3.9 -7.9 72.2 59.0 24 60 A R S < S- 0 0 119 -3,-2.0 -3,-0.4 -10,-0.0 2,-0.3 -0.952 72.2-120.9-136.1 151.8 -6.8 72.6 55.4 25 61 A K B +i 14 0B 73 -12,-0.6 -10,-3.2 -2,-0.3 2,-0.2 -0.715 36.1 179.7 -88.2 142.9 -6.3 75.3 52.8 26 62 A T > - 0 0 14 -2,-0.3 3,-0.6 -12,-0.2 4,-0.2 -0.670 39.7 -89.8-138.1-177.7 -8.2 75.1 49.6 27 63 A L G >> S+ 0 0 0 -10,-2.9 4,-2.1 1,-0.2 3,-1.5 0.641 100.3 81.7 -80.5 -17.8 -8.7 76.9 46.3 28 64 A K G 34 S+ 0 0 79 -11,-0.3 -1,-0.2 1,-0.3 -10,-0.1 0.851 89.2 56.4 -62.4 -31.8 -11.5 79.4 47.1 29 65 A E G <4 S+ 0 0 26 -3,-0.6 -1,-0.3 1,-0.2 297,-0.2 0.800 118.6 33.5 -68.7 -18.2 -9.1 81.8 48.7 30 66 A F T <4 S+ 0 0 5 -3,-1.5 -2,-0.2 -4,-0.2 -1,-0.2 0.700 117.2 47.5-105.0 -26.3 -7.1 81.9 45.5 31 67 A I < - 0 0 4 -4,-2.1 -1,-0.2 1,-0.1 144,-0.0 -0.986 48.0-171.1-134.3 120.6 -9.6 81.5 42.6 32 68 A P + 0 0 5 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.326 54.1 115.4 -88.4 1.7 -12.9 83.3 42.1 33 69 A V - 0 0 13 1,-0.0 3,-0.5 191,-0.0 2,-0.2 -0.639 56.8-145.0 -80.8 126.5 -14.0 81.1 39.2 34 70 A Q + 0 0 33 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 -0.604 69.2 21.6 -96.2 148.0 -17.1 79.1 40.0 35 71 A G S S+ 0 0 63 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.600 89.4 124.4 79.6 16.4 -18.0 75.6 38.8 36 72 A V + 0 0 8 -3,-0.5 2,-0.3 18,-0.1 -1,-0.3 -0.812 31.2 172.9-108.9 148.6 -14.4 74.5 38.0 37 73 A Y E -C 53 0A 100 16,-2.3 16,-2.7 -2,-0.3 2,-0.2 -0.911 39.3 -69.4-147.7 169.2 -12.5 71.5 39.4 38 74 A A E -C 52 0A 9 -22,-0.4 2,-0.9 -2,-0.3 14,-0.3 -0.378 21.3-158.8 -72.4 135.1 -9.2 69.8 38.8 39 75 A A S S+ 0 0 0 12,-3.2 12,-0.3 1,-0.4 -1,-0.1 -0.782 94.6 5.3-100.4 81.4 -8.4 67.9 35.7 40 76 A G S S- 0 0 19 -2,-0.9 11,-0.4 10,-0.1 -1,-0.4 0.607 90.9-126.3 102.8 97.1 -5.7 66.0 37.4 41 77 A R - 0 0 139 -3,-0.2 2,-0.4 9,-0.1 -24,-0.1 -0.388 16.8-145.8 -70.1 150.6 -5.4 66.6 41.1 42 78 A L - 0 0 8 4,-0.1 6,-0.1 -2,-0.1 -4,-0.0 -0.993 28.9-102.4-119.7 132.8 -2.0 67.7 42.4 43 79 A D > - 0 0 62 -2,-0.4 3,-1.7 1,-0.1 -29,-0.2 -0.049 25.9-115.7 -57.3 151.9 -1.0 66.5 45.9 44 80 A R T 3 S+ 0 0 81 1,-0.3 -31,-2.1 -31,-0.1 -30,-0.9 0.854 116.6 47.5 -52.8 -42.5 -1.2 68.9 48.8 45 81 A D T 3 S+ 0 0 43 -33,-0.2 113,-0.4 -32,-0.2 -1,-0.3 0.404 100.9 83.0 -88.4 4.6 2.6 68.8 49.4 46 82 A S < - 0 0 4 -3,-1.7 -32,-0.4 -32,-0.2 2,-0.3 -0.534 65.9-152.0 -95.9 172.5 3.3 69.4 45.7 47 83 A E E + d 0 159A 0 111,-2.2 113,-3.0 -2,-0.2 2,-0.3 -0.903 42.1 35.9-139.0 161.6 3.4 72.7 43.9 48 84 A G E S+Ad 10 160A 0 -38,-2.0 -38,-3.0 -2,-0.3 113,-0.2 -0.668 80.4 38.9 103.1-146.2 2.8 74.1 40.5 49 85 A L E +A 9 0A 0 111,-3.2 2,-0.4 -2,-0.3 -40,-0.2 -0.210 46.6 169.6 -67.3 122.1 0.5 73.5 37.6 50 86 A L E -A 8 0A 0 -42,-2.4 -42,-2.2 -2,-0.1 2,-0.5 -0.995 20.1-152.6-123.1 125.2 -3.1 72.6 38.3 51 87 A V E -A 7 0A 3 -11,-0.4 -12,-3.2 -2,-0.4 2,-0.4 -0.909 16.0-171.4 -99.3 123.8 -5.5 72.6 35.3 52 88 A L E +AC 6 38A 0 -46,-3.1 -46,-2.8 -2,-0.5 2,-0.3 -0.933 7.4 171.7-116.6 144.8 -9.1 73.4 36.3 53 89 A T E -AC 5 37A 0 -16,-2.7 -16,-2.3 -2,-0.4 -48,-0.2 -0.977 36.7-147.6-144.8 159.6 -12.3 73.1 34.1 54 90 A N S S+ 0 0 40 -50,-1.1 2,-0.7 -2,-0.3 -49,-0.1 0.354 79.2 92.4 -96.2 -0.3 -16.1 73.3 34.3 55 91 A N > - 0 0 49 -51,-0.4 4,-2.9 1,-0.2 5,-0.1 -0.867 55.4-167.3-109.3 103.0 -16.5 70.7 31.4 56 92 A G H > S+ 0 0 35 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.779 90.2 55.7 -57.4 -31.3 -16.8 67.1 32.6 57 93 A A H > S+ 0 0 77 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 110.9 44.8 -70.2 -38.7 -16.2 65.8 29.1 58 94 A L H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.927 112.1 51.3 -68.1 -47.1 -13.0 67.7 28.9 59 95 A Q H X S+ 0 0 49 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.926 109.6 50.9 -56.9 -41.7 -11.9 66.6 32.4 60 96 A A H X S+ 0 0 50 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.917 111.4 48.3 -61.6 -44.1 -12.6 62.9 31.4 61 97 A R H < S+ 0 0 136 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.924 113.8 45.6 -59.8 -44.3 -10.5 63.3 28.3 62 98 A L H < S+ 0 0 33 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.807 118.8 40.7 -74.0 -29.0 -7.6 64.9 30.1 63 99 A T H < S+ 0 0 49 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.434 76.1 145.3-101.4 -0.2 -7.6 62.4 33.0 64 100 A Q >< - 0 0 115 -4,-1.0 3,-1.9 -3,-0.5 -3,-0.1 -0.106 56.4-115.5 -44.0 114.5 -8.3 59.2 31.1 65 101 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.300 100.2 22.8 -52.2 137.3 -6.3 56.4 32.9 66 102 A G T 3 S+ 0 0 58 -3,-0.1 -2,-0.1 3,-0.1 -3,-0.0 0.325 82.4 132.2 87.8 -4.4 -3.6 55.0 30.6 67 103 A K < - 0 0 76 -3,-1.9 71,-0.1 1,-0.1 -3,-0.1 0.711 59.8-137.1 -53.1 -32.4 -3.4 58.2 28.4 68 104 A R + 0 0 146 1,-0.2 2,-0.3 69,-0.1 70,-0.1 0.839 34.6 177.0 69.7 35.4 0.4 58.6 28.4 69 105 A T - 0 0 29 -7,-0.1 -1,-0.2 1,-0.1 2,-0.2 -0.562 30.7-118.3 -69.7 132.1 0.2 62.4 28.9 70 106 A G - 0 0 23 -2,-0.3 94,-2.8 67,-0.1 2,-0.4 -0.497 32.7-174.9 -65.5 134.7 3.6 64.1 29.2 71 107 A K E -EF 136 163A 26 65,-2.3 65,-2.4 92,-0.2 2,-0.5 -0.998 10.9-154.3-135.4 133.1 4.2 65.8 32.5 72 108 A I E -EF 135 162A 46 90,-1.8 89,-3.3 -2,-0.4 90,-1.6 -0.939 15.7-177.1-112.0 128.2 7.3 67.9 33.3 73 109 A Y E -EF 134 160A 20 61,-3.4 61,-2.8 -2,-0.5 2,-0.5 -0.907 22.7-147.5-121.7 148.2 8.4 68.3 36.9 74 110 A Y E -EF 133 159A 37 85,-2.8 85,-2.8 -2,-0.3 2,-0.5 -0.977 27.8-168.8-110.4 126.5 11.2 70.3 38.6 75 111 A V E -EF 132 158A 0 57,-2.8 57,-2.7 -2,-0.5 2,-0.5 -0.970 18.3-151.4-127.0 124.9 12.3 68.3 41.6 76 112 A Q E -EF 131 157A 15 81,-2.5 80,-3.7 -2,-0.5 81,-1.5 -0.852 28.0-176.6 -92.6 126.8 14.6 69.4 44.5 77 113 A V E -EF 130 155A 0 53,-3.0 53,-2.2 -2,-0.5 2,-0.3 -0.874 30.7-107.0-124.4 155.9 16.4 66.4 45.9 78 114 A E E S+E 129 0A 96 76,-2.4 51,-0.2 -2,-0.3 2,-0.0 -0.615 88.1 3.8 -73.1 140.0 18.8 65.7 48.8 79 115 A G S S- 0 0 20 49,-2.9 -2,-0.2 -2,-0.3 51,-0.2 -0.208 97.4 -71.4 78.3-176.2 22.3 65.0 47.5 80 116 A I - 0 0 89 49,-0.1 -1,-0.1 50,-0.0 -2,-0.1 -0.966 49.0-127.4-118.4 106.6 23.6 65.2 43.9 81 117 A P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 71,-0.1 -0.258 24.5-128.9 -49.2 132.5 22.3 62.3 41.8 82 118 A T > - 0 0 79 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.370 24.1-104.2 -78.5 167.4 25.1 60.5 40.0 83 119 A Q H > S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.886 122.5 53.6 -60.8 -37.6 25.1 59.8 36.3 84 120 A D H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.900 107.7 49.2 -64.2 -40.3 24.2 56.1 37.0 85 121 A A H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.908 112.1 49.1 -64.9 -41.0 21.1 57.2 39.1 86 122 A L H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.904 109.1 52.7 -66.8 -39.7 20.0 59.5 36.4 87 123 A E H X S+ 0 0 99 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.872 107.9 52.4 -60.0 -37.5 20.4 56.8 33.8 88 124 A A H X S+ 0 0 28 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.901 108.4 48.8 -68.3 -40.5 18.3 54.5 35.9 89 125 A L H < S+ 0 0 4 -4,-2.1 14,-0.2 1,-0.2 -1,-0.2 0.891 112.7 49.8 -65.3 -37.4 15.5 57.1 36.1 90 126 A R H < S+ 0 0 53 -4,-2.2 13,-2.1 1,-0.2 -2,-0.2 0.907 119.7 35.0 -64.4 -41.4 15.6 57.6 32.4 91 127 A N H < S- 0 0 114 -4,-2.2 -2,-0.2 11,-0.2 -3,-0.2 0.833 120.4 -85.6 -90.5 -34.3 15.5 53.9 31.6 92 128 A G < - 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0 0 16 -13,-2.1 2,-0.4 -14,-0.2 33,-0.2 -0.899 31.2-100.9-147.0 163.8 11.4 59.0 31.3 104 140 A G E +G 135 0A 28 31,-2.5 31,-2.0 -2,-0.3 2,-0.3 -0.779 39.4 169.6 -89.2 143.8 13.4 62.2 31.0 105 141 A A E +G 134 0A 1 -2,-0.4 2,-0.4 29,-0.2 29,-0.2 -0.861 1.7 162.2-155.9 118.8 15.8 63.1 33.8 106 142 A E E -G 133 0A 105 27,-1.8 27,-2.7 -2,-0.3 2,-0.6 -0.998 38.6-122.3-139.5 142.9 18.4 65.8 33.8 107 143 A L E +G 132 0A 80 -2,-0.4 2,-0.3 25,-0.2 25,-0.2 -0.769 44.5 178.7 -83.9 119.4 20.4 67.6 36.5 108 144 A V E -G 131 0A 39 23,-2.2 23,-0.7 -2,-0.6 2,-0.1 -0.784 32.9 -99.7-122.5 160.8 19.6 71.4 36.1 109 145 A D - 0 0 149 -2,-0.3 -1,-0.1 1,-0.1 21,-0.0 -0.409 56.5 -88.3 -69.9 156.6 20.5 74.7 37.7 110 146 A E - 0 0 114 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.592 53.4-116.0 -64.3 117.2 17.9 76.0 40.1 111 147 A P > - 0 0 21 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.374 11.2-134.7 -66.4 139.4 15.6 78.0 37.7 112 148 A A T 3 S+ 0 0 108 1,-0.3 -2,-0.0 -2,-0.1 0, 0.0 0.713 104.9 61.4 -67.9 -21.7 15.6 81.8 38.5 113 149 A W T 3 S+ 0 0 106 2,-0.1 -1,-0.3 59,-0.0 -3,-0.0 0.613 80.5 117.3 -76.2 -14.8 11.8 81.9 38.1 114 150 A L < - 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