==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 27-FEB-04 1SI7 . COMPND 2 MOLECULE: TRNA PSEUDOURIDINE SYNTHASE D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.KAYA,M.DEL CAMPO,J.OFENGAND,A.MALHOTRA . 340 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 19.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 23 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 0 0 2 2 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 PARALLEL BRIDGES PER LADDER . 1 1 3 1 0 3 0 1 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 . 2 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 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 75 0, 0.0 2,-0.3 0, 0.0 278,-0.1 0.000 360.0 360.0 360.0 138.6 60.0 44.3 32.5 2 2 A I - 0 0 33 199,-0.1 2,-0.1 1,-0.1 5,-0.1 -0.424 360.0-129.6 -63.3 122.4 57.8 47.4 32.6 3 3 A E >> - 0 0 153 -2,-0.3 3,-2.7 1,-0.1 4,-0.6 -0.434 21.6-109.4 -73.4 147.4 54.1 46.3 32.7 4 4 A F G >4 S+ 0 0 58 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.865 118.3 50.0 -41.3 -55.1 51.7 47.8 30.2 5 5 A D G 34 S+ 0 0 140 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.606 109.2 53.9 -65.4 -10.6 49.8 49.9 32.8 6 6 A N G <4 S+ 0 0 116 -3,-2.7 -1,-0.3 2,-0.1 -2,-0.2 0.457 77.4 126.9-101.2 -2.6 53.2 51.3 34.1 7 7 A L S << S- 0 0 4 -3,-1.8 198,-0.1 -4,-0.6 -3,-0.0 -0.317 70.8-101.9 -57.1 132.5 54.3 52.4 30.6 8 8 A T - 0 0 35 197,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.216 32.6-133.6 -58.3 145.2 55.3 56.1 30.8 9 9 A Y - 0 0 44 1,-0.1 4,-0.1 -3,-0.1 -1,-0.1 -0.679 5.4-150.1 -99.1 153.9 52.9 58.7 29.5 10 10 A L S S+ 0 0 50 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.869 103.0 28.8 -87.3 -43.9 53.9 61.6 27.2 11 11 A H S S- 0 0 38 1,-0.2 -1,-0.1 136,-0.0 145,-0.0 0.332 122.9-101.6 -97.7 5.6 51.2 63.9 28.6 12 12 A G - 0 0 33 2,-0.0 -1,-0.2 3,-0.0 -2,-0.2 0.124 56.6 -49.4 87.5 151.3 51.1 62.4 32.0 13 13 A K S S- 0 0 121 -4,-0.1 323,-0.1 1,-0.1 326,-0.1 -0.331 72.1-103.9 -57.8 129.6 48.5 60.0 33.3 14 14 A P - 0 0 6 0, 0.0 324,-0.1 0, 0.0 -1,-0.1 -0.062 16.7-141.5 -52.6 156.5 44.9 61.4 32.6 15 15 A Q S S+ 0 0 150 322,-0.2 2,-0.3 125,-0.1 128,-0.1 -0.201 78.3 45.9-114.5 38.9 42.9 62.9 35.5 16 16 A G S S- 0 0 6 127,-0.1 323,-2.0 123,-0.0 2,-0.2 -0.966 70.5-129.2-165.5 170.0 39.6 61.5 34.4 17 17 A T B +a 339 0A 74 -2,-0.3 122,-1.9 321,-0.2 123,-0.5 -0.679 21.3 170.3-122.8 178.7 37.9 58.3 33.3 18 18 A G - 0 0 7 321,-1.0 2,-0.4 120,-0.2 119,-0.2 -0.934 34.6 -98.9-179.1 162.4 35.7 57.2 30.5 19 19 A L B -B 136 0B 73 117,-3.1 117,-1.7 -2,-0.3 2,-0.4 -0.835 29.6-159.5-101.0 134.1 34.2 54.1 28.8 20 20 A L S S- 0 0 42 -2,-0.4 115,-0.1 1,-0.2 7,-0.1 -0.941 72.5 -2.0-115.6 131.8 35.8 52.5 25.7 21 21 A K + 0 0 55 113,-0.5 -1,-0.2 -2,-0.4 6,-0.1 0.852 69.9 160.0 61.6 37.1 33.9 50.2 23.4 22 22 A A S S+ 0 0 47 112,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.881 78.4 10.9 -54.9 -35.3 30.7 50.3 25.5 23 23 A N S > S- 0 0 79 1,-0.1 3,-2.1 59,-0.1 4,-0.2 -0.965 85.0-112.1-139.8 152.4 29.1 49.1 22.3 24 24 A P G > S+ 0 0 37 0, 0.0 3,-1.9 0, 0.0 60,-1.3 0.877 117.5 58.3 -53.2 -40.6 30.5 47.9 19.0 25 25 A E G 3 S+ 0 0 118 1,-0.3 3,-0.2 58,-0.2 58,-0.1 0.633 92.2 70.5 -66.0 -13.2 29.3 51.0 17.2 26 26 A D G < S+ 0 0 4 -3,-2.1 108,-2.5 1,-0.2 2,-0.3 0.530 101.2 47.6 -80.8 -4.0 31.3 53.1 19.7 27 27 A F E < S+C 133 0C 3 -3,-1.9 57,-1.6 106,-0.2 2,-0.5 -0.820 71.8 177.9-140.5 95.6 34.5 51.8 18.0 28 28 A V E -Cd 132 84C 43 104,-3.2 104,-2.2 -2,-0.3 2,-0.4 -0.869 2.6-176.7-105.6 129.7 34.6 52.0 14.1 29 29 A V E -Cd 131 85C 6 55,-2.0 57,-2.7 -2,-0.5 2,-0.6 -0.983 7.8-170.8-127.4 129.0 37.6 51.0 12.1 30 30 A V E -Cd 130 86C 54 100,-2.8 100,-2.2 -2,-0.4 57,-0.2 -0.934 22.6-134.0-122.2 109.8 38.0 51.2 8.4 31 31 A E E -C 129 0C 10 55,-2.9 2,-0.7 -2,-0.6 98,-0.2 -0.313 8.1-153.0 -61.6 137.8 41.0 49.5 6.9 32 32 A D E -C 128 0C 56 96,-3.1 95,-1.9 1,-0.2 96,-1.6 -0.833 12.7-176.8-114.9 87.8 43.0 51.6 4.4 33 33 A L - 0 0 8 -2,-0.7 94,-0.2 93,-0.2 -1,-0.2 0.898 25.4-141.2 -52.7 -49.8 44.7 48.9 2.2 34 34 A G S S+ 0 0 52 1,-0.2 2,-0.3 92,-0.2 -1,-0.1 0.202 71.4 56.7 105.0 -16.6 46.6 51.4 0.0 35 35 A F S S- 0 0 83 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.950 76.6-116.6-144.0 162.4 46.1 49.5 -3.2 36 36 A E - 0 0 145 -2,-0.3 2,-0.0 1,-0.1 0, 0.0 -0.579 45.1 -83.0 -97.4 161.6 43.3 48.2 -5.5 37 37 A P - 0 0 26 0, 0.0 80,-0.2 0, 0.0 79,-0.1 -0.366 33.2-128.7 -63.7 141.0 42.6 44.5 -6.4 38 38 A D - 0 0 66 2,-0.2 79,-0.2 77,-0.1 3,-0.1 0.863 31.6-133.4 -57.3 -36.6 44.7 43.3 -9.3 39 39 A G S S+ 0 0 50 77,-3.1 77,-0.3 1,-0.2 2,-0.3 0.328 77.7 48.8 97.3 -6.1 41.5 42.1 -11.0 40 40 A E + 0 0 118 76,-0.4 -1,-0.2 75,-0.1 2,-0.2 -0.950 67.2 80.8-154.2 168.7 43.0 38.7 -11.8 41 41 A G S S- 0 0 39 -2,-0.3 77,-0.2 1,-0.1 76,-0.1 -0.596 83.3 -63.9 121.6 177.4 45.0 35.8 -10.2 42 42 A E S S+ 0 0 33 76,-0.6 51,-2.3 -2,-0.2 2,-0.3 0.407 107.8 75.1 -84.3 2.3 44.5 32.7 -8.0 43 43 A H E -EF 92 117C 19 74,-2.2 74,-2.9 49,-0.3 2,-0.5 -0.787 66.1-146.6-115.4 160.4 43.3 34.8 -5.0 44 44 A I E -EF 91 116C 0 47,-1.9 47,-1.6 -2,-0.3 2,-0.3 -0.939 10.2-149.0-130.4 110.1 40.1 36.6 -4.2 45 45 A L E -EF 90 115C 0 70,-2.7 70,-1.9 -2,-0.5 2,-0.4 -0.599 16.2-170.7 -77.1 133.0 40.0 39.9 -2.2 46 46 A V E -EF 89 114C 0 43,-2.4 43,-1.3 -2,-0.3 2,-0.5 -0.907 11.9-154.6-133.1 108.0 36.9 40.3 -0.1 47 47 A R E -EF 88 113C 59 66,-1.9 65,-2.7 -2,-0.4 66,-1.2 -0.661 25.8-179.5 -80.5 125.0 36.1 43.5 1.7 48 48 A I E -EF 87 111C 3 39,-3.0 39,-2.0 -2,-0.5 2,-0.5 -0.910 27.7-147.0-130.2 155.8 33.8 42.9 4.6 49 49 A L E -E 86 0C 62 61,-2.0 2,-0.3 -2,-0.3 61,-0.3 -0.979 25.1-175.4-120.1 116.8 32.1 44.7 7.4 50 50 A K E -E 85 0C 4 35,-2.7 35,-1.9 -2,-0.5 2,-0.4 -0.887 18.5-163.7-118.8 148.0 31.8 42.9 10.8 51 51 A N E S-E 84 0C 66 57,-3.2 33,-0.2 -2,-0.3 31,-0.1 -0.764 82.6 -5.3-128.9 85.1 30.0 43.7 14.1 52 52 A G S S+ 0 0 43 31,-1.3 2,-0.3 29,-0.7 30,-0.2 0.723 105.3 102.2 105.2 27.5 31.3 41.6 16.9 53 53 A C - 0 0 26 30,-0.4 -1,-0.4 28,-0.4 2,-0.3 -0.924 61.8-123.0-136.9 161.5 33.6 39.1 15.2 54 54 A N >> - 0 0 68 -2,-0.3 4,-1.7 -3,-0.1 3,-0.7 -0.823 30.9-108.9-109.1 149.1 37.4 38.7 14.9 55 55 A T H 3> S+ 0 0 0 24,-0.8 4,-0.8 -2,-0.3 -1,-0.1 0.662 120.9 49.2 -45.5 -21.4 39.4 38.4 11.7 56 56 A R H 3> S+ 0 0 66 2,-0.2 4,-2.0 3,-0.2 -1,-0.3 0.883 106.2 52.7 -87.1 -43.4 39.9 34.8 12.4 57 57 A F H <> S+ 0 0 46 -3,-0.7 4,-0.8 1,-0.2 -2,-0.2 0.739 117.6 40.5 -62.8 -24.6 36.3 33.9 13.2 58 58 A V H X S+ 0 0 3 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.737 110.2 57.3 -93.9 -29.1 35.4 35.4 9.8 59 59 A A H < S+ 0 0 0 -4,-0.8 4,-0.5 -5,-0.4 -2,-0.2 0.790 108.9 47.6 -71.1 -27.8 38.4 34.0 8.0 60 60 A D H X S+ 0 0 68 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.883 110.0 51.5 -78.6 -40.5 37.3 30.5 9.0 61 61 A A H X S+ 0 0 9 -4,-0.8 4,-2.4 1,-0.3 -2,-0.2 0.914 110.2 48.6 -61.5 -43.5 33.7 31.2 7.9 62 62 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.3 0.743 110.8 55.3 -67.9 -21.3 34.9 32.3 4.5 63 63 A A H 4>S+ 0 0 3 -4,-0.5 5,-3.0 2,-0.2 4,-0.3 0.951 109.4 41.8 -75.2 -52.8 37.0 29.2 4.5 64 64 A K H ><5S+ 0 0 123 -4,-2.7 3,-0.8 3,-0.2 -2,-0.2 0.899 112.6 56.2 -61.8 -40.7 34.1 26.7 5.1 65 65 A F H 3<5S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.946 114.1 37.8 -56.0 -52.3 32.0 28.7 2.6 66 66 A L T 3<5S- 0 0 14 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.456 111.4-127.5 -78.4 0.2 34.5 28.3 -0.1 67 67 A K T < 5 + 0 0 89 -3,-0.8 -3,-0.2 -4,-0.3 2,-0.2 0.918 65.9 130.3 51.4 48.1 35.1 24.8 1.2 68 68 A I < - 0 0 41 -5,-3.0 2,-0.4 -6,-0.1 -1,-0.2 -0.630 67.3 -67.0-121.3-179.9 38.9 25.6 1.4 69 69 A H > - 0 0 105 -2,-0.2 3,-3.4 1,-0.2 4,-0.2 -0.563 36.9-133.8 -73.0 125.7 41.7 25.3 3.9 70 70 A A T 3 S+ 0 0 41 -2,-0.4 3,-0.4 1,-0.3 -1,-0.2 0.638 107.9 61.8 -53.1 -12.6 41.3 27.7 6.8 71 71 A R T 3 S+ 0 0 193 1,-0.2 -1,-0.3 -8,-0.1 -11,-0.0 0.579 88.2 67.5 -90.8 -12.8 44.9 28.5 6.2 72 72 A E S < S+ 0 0 71 -3,-3.4 20,-1.4 1,-0.1 2,-0.8 0.347 80.3 90.8 -88.9 7.1 44.3 29.9 2.6 73 73 A V E +G 91 0C 3 -3,-0.4 18,-0.2 -4,-0.2 -1,-0.1 -0.841 59.9 174.8-106.5 95.8 42.4 32.8 4.1 74 74 A S E -G 90 0C 20 16,-2.7 16,-1.7 -2,-0.8 2,-0.3 -0.283 8.2-175.9 -92.2 179.2 44.9 35.7 4.6 75 75 A F E -G 89 0C 17 46,-0.9 14,-0.2 14,-0.2 50,-0.2 -0.960 36.6-117.7-171.2 157.1 44.5 39.3 5.7 76 76 A A S S- 0 0 1 12,-0.7 48,-4.0 -2,-0.3 2,-0.3 0.784 91.0 -23.0 -73.2 -28.9 46.4 42.5 6.3 77 77 A G - 0 0 13 11,-0.3 2,-0.8 46,-0.2 -1,-0.2 -0.980 66.3 -94.6-173.0 166.4 45.6 42.6 10.0 78 78 A Q - 0 0 73 -2,-0.3 2,-0.1 -3,-0.1 3,-0.1 -0.817 36.4-152.2-101.0 103.9 43.3 41.5 12.8 79 79 A K - 0 0 16 -2,-0.8 -24,-0.8 1,-0.1 6,-0.1 -0.442 33.1 -91.6 -72.4 143.3 40.6 44.0 13.5 80 80 A D - 0 0 42 -2,-0.1 3,-0.3 1,-0.1 -27,-0.3 -0.121 27.2-143.0 -51.6 149.6 39.2 44.1 17.0 81 81 A K S S+ 0 0 25 1,-0.2 2,-2.0 -29,-0.1 -29,-0.7 0.856 91.7 65.8 -85.4 -39.8 36.1 41.9 17.6 82 82 A H S S+ 0 0 141 -30,-0.2 2,-0.3 -31,-0.1 -1,-0.2 -0.310 102.2 55.0 -81.3 55.8 34.2 44.2 20.0 83 83 A A S S- 0 0 0 -2,-2.0 -31,-1.3 -3,-0.3 2,-0.8 -0.976 92.2 -92.6-171.0 169.5 33.7 46.8 17.3 84 84 A V E +dE 28 51C 21 -57,-1.6 -55,-2.0 -60,-1.3 2,-0.4 -0.866 54.2 173.3 -98.3 107.1 32.4 47.5 13.8 85 85 A T E -dE 29 50C 0 -35,-1.9 -35,-2.7 -2,-0.8 2,-0.5 -0.905 26.2-154.8-122.4 147.8 35.3 47.0 11.5 86 86 A E E +dE 30 49C 41 -57,-2.7 -55,-2.9 -2,-0.4 2,-0.3 -0.977 32.3 147.0-118.8 124.7 35.8 47.0 7.7 87 87 A Q E - E 0 48C 4 -39,-2.0 -39,-3.0 -2,-0.5 2,-0.3 -0.957 42.5-105.6-151.4 167.7 38.7 45.1 6.3 88 88 A W E - E 0 47C 22 -2,-0.3 -12,-0.7 -41,-0.2 -11,-0.3 -0.756 26.9-171.1-101.1 145.8 39.9 43.0 3.4 89 89 A L E -GE 75 46C 2 -43,-1.3 -43,-2.4 -2,-0.3 2,-0.3 -0.771 7.9-151.6-123.5 169.1 40.4 39.3 3.4 90 90 A C E -GE 74 45C 0 -16,-1.7 -16,-2.7 -2,-0.3 2,-0.4 -0.929 8.0-171.2-152.2 123.9 42.0 37.1 0.7 91 91 A A E -GE 73 44C 0 -47,-1.6 -47,-1.9 -2,-0.3 2,-0.8 -0.954 24.3-129.9-119.8 134.2 41.3 33.5 -0.2 92 92 A R E + E 0 43C 120 -20,-1.4 -49,-0.3 -2,-0.4 -20,-0.1 -0.723 37.8 176.2 -82.7 109.7 43.4 31.4 -2.7 93 93 A V - 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