==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-NOV-99 1DJ0 . COMPND 2 MOLECULE: PSEUDOURIDINE SYNTHASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.G.FOSTER,L.HUANG,D.V.SANTI,R.M.STROUD . 528 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 20.6 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 27 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 4 0 1 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 . 0 1 1 2 0 2 2 6 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 . 0 0 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 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 7 A P 0 0 168 0, 0.0 2,-0.0 0, 0.0 68,-0.0 0.000 360.0 360.0 360.0 135.6 -6.5 16.6 5.0 2 8 A P - 0 0 71 0, 0.0 2,-0.5 0, 0.0 69,-0.0 -0.221 360.0-138.8 -80.6 162.6 -5.3 13.8 7.2 3 9 A V - 0 0 79 -2,-0.0 2,-0.4 64,-0.0 66,-0.2 -0.998 25.6-149.0-115.5 124.3 -3.5 14.1 10.5 4 10 A Y E -A 68 0A 65 64,-3.4 64,-2.3 -2,-0.5 2,-0.5 -0.821 4.6-149.6-100.3 143.7 -0.8 11.5 10.7 5 11 A K E -A 67 0A 23 92,-0.5 92,-2.4 -2,-0.4 2,-0.4 -0.962 21.7-174.7-113.6 126.1 0.4 9.8 13.9 6 12 A I E -AB 66 96A 3 60,-2.6 60,-1.9 -2,-0.5 2,-0.4 -0.975 14.3-154.0-125.8 139.5 4.0 8.8 13.9 7 13 A A E -AB 65 95A 0 88,-3.2 88,-2.5 -2,-0.4 2,-0.4 -0.874 12.4-170.0-111.5 146.5 6.2 6.9 16.3 8 14 A L E -AB 64 94A 0 56,-2.3 56,-2.4 -2,-0.4 2,-0.5 -0.988 22.0-134.0-133.4 144.5 9.9 7.3 16.6 9 15 A G E -AB 63 93A 2 84,-1.9 83,-3.0 -2,-0.4 84,-0.9 -0.826 32.5-162.9 -92.1 129.5 12.6 5.3 18.4 10 16 A I E -AB 62 91A 0 52,-2.4 52,-1.0 -2,-0.5 2,-0.4 -0.960 12.7-169.7-119.4 136.6 14.9 7.8 20.2 11 17 A E E + B 0 90A 9 79,-2.9 79,-2.7 -2,-0.4 2,-0.3 -0.931 14.8 169.8-117.0 147.8 18.4 7.4 21.7 12 18 A Y E -AB 59 89A 1 47,-2.8 47,-2.3 -2,-0.4 2,-0.6 -0.970 39.7-132.2-159.4 143.3 20.2 9.9 23.9 13 19 A D - 0 0 32 75,-2.5 3,-0.4 -2,-0.3 45,-0.1 -0.829 28.1-162.1 -83.7 115.7 23.2 10.5 26.1 14 20 A G > + 0 0 2 -2,-0.6 3,-1.5 42,-0.3 42,-0.9 0.460 61.5 99.2 -81.3 -5.1 21.4 12.1 29.1 15 21 A S T 3 S+ 0 0 32 1,-0.3 -1,-0.2 41,-0.2 43,-0.0 0.783 84.9 41.8 -65.4 -25.5 24.5 13.7 30.7 16 22 A K T 3 S+ 0 0 92 -3,-0.4 2,-0.3 72,-0.1 -1,-0.3 0.256 107.3 74.5-101.4 10.7 24.0 17.2 29.4 17 23 A Y S < S- 0 0 15 -3,-1.5 39,-0.9 40,-0.1 11,-0.2 -0.824 76.3-131.0-119.9 161.1 20.3 17.4 30.0 18 24 A Y S S- 0 0 122 9,-3.0 37,-0.4 1,-0.3 2,-0.1 -0.274 75.4 -68.7-105.0 47.2 18.2 17.7 33.1 19 25 A G - 0 0 6 -5,-0.4 10,-2.1 35,-0.4 -1,-0.3 -0.334 61.0 -67.3 95.8-179.9 16.0 14.8 32.1 20 26 A W S S+ 0 0 4 33,-2.7 10,-2.7 8,-0.2 11,-0.3 0.962 100.6 82.1 -68.4 -52.8 13.4 14.0 29.4 21 27 A Q - 0 0 49 32,-0.4 8,-0.1 8,-0.1 -3,-0.1 -0.294 60.0-155.6 -70.3 138.2 10.6 16.3 30.3 22 28 A R > + 0 0 80 6,-0.1 3,-2.2 2,-0.1 -1,-0.1 0.817 61.9 111.0 -78.3 -25.7 10.7 20.0 29.3 23 29 A Q T 3 S- 0 0 90 1,-0.3 3,-0.1 3,-0.0 -2,-0.1 -0.187 95.2 -6.9 -56.8 125.2 8.3 21.0 32.1 24 30 A N T 3 S+ 0 0 166 1,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.615 113.3 104.6 66.4 17.5 10.2 23.1 34.7 25 31 A E < - 0 0 84 -3,-2.2 3,-0.2 1,-0.1 -1,-0.1 -0.985 58.1-154.3-132.7 141.6 13.6 22.6 33.2 26 32 A V S S+ 0 0 138 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.817 92.4 37.6 -75.9 -31.1 15.9 24.8 31.1 27 33 A R S S+ 0 0 107 4,-0.0 -9,-3.0 -9,-0.0 2,-0.3 -0.944 76.4 150.7-129.0 101.3 17.7 21.9 29.4 28 34 A S > - 0 0 1 -2,-0.5 4,-1.5 -11,-0.2 -8,-0.2 -0.954 50.4-128.9-134.3 157.4 15.6 18.8 28.4 29 35 A V H > S+ 0 0 1 -10,-2.1 4,-2.3 -2,-0.3 5,-0.2 0.939 109.1 56.9 -66.6 -43.9 15.7 16.1 25.8 30 36 A Q H > S+ 0 0 15 -10,-2.7 4,-2.9 -11,-0.3 5,-0.2 0.901 103.2 53.6 -56.4 -44.0 12.0 16.7 24.9 31 37 A E H > S+ 0 0 41 -11,-0.3 4,-2.7 1,-0.2 5,-0.2 0.935 109.7 47.8 -58.8 -45.0 12.7 20.4 24.1 32 38 A K H X S+ 0 0 83 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.931 114.3 45.7 -61.0 -44.8 15.4 19.5 21.6 33 39 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.931 112.3 50.2 -66.5 -42.0 13.4 16.8 19.9 34 40 A E H X S+ 0 0 9 -4,-2.9 4,-2.5 -5,-0.2 11,-0.4 0.920 110.5 50.7 -65.6 -34.9 10.3 19.0 19.7 35 41 A K H X S+ 0 0 96 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.935 112.5 47.4 -65.8 -44.7 12.4 21.8 18.2 36 42 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.925 114.1 44.8 -60.6 -44.6 13.8 19.4 15.6 37 43 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.872 109.3 56.7 -68.0 -35.0 10.4 17.9 14.6 38 44 A S H X>S+ 0 0 31 -4,-2.5 4,-1.6 1,-0.2 5,-1.3 0.854 106.4 50.4 -66.1 -37.2 8.8 21.4 14.4 39 45 A Q H <5S+ 0 0 106 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.927 114.5 43.2 -64.1 -42.8 11.4 22.5 11.9 40 46 A V H <5S+ 0 0 18 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.927 119.8 42.5 -67.8 -40.2 10.8 19.3 9.7 41 47 A A H <5S- 0 0 4 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.671 99.3-134.8 -80.5 -16.9 7.0 19.5 10.0 42 48 A N T <5S+ 0 0 128 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.854 79.7 73.3 60.2 35.7 6.9 23.4 9.6 43 49 A E S - 0 0 44 -2,-0.4 3,-2.2 -35,-0.2 -35,-0.4 -0.172 49.8 -58.9 -77.6 173.0 15.3 11.7 35.2 55 61 A A T 3 S+ 0 0 48 -37,-0.4 -37,-0.2 1,-0.3 -1,-0.2 -0.246 123.9 11.5 -57.2 133.8 18.3 14.0 35.0 56 62 A G T 3 S+ 0 0 15 -42,-0.9 -42,-0.3 -39,-0.9 -1,-0.3 0.284 95.6 128.0 87.1 -15.8 21.5 12.3 33.8 57 63 A V < - 0 0 3 -3,-2.2 -1,-0.3 -43,-0.2 2,-0.2 -0.533 47.6-141.4 -78.8 144.1 19.6 9.1 32.7 58 64 A H E - d 0 240A 2 181,-2.6 183,-2.3 178,-0.3 2,-0.4 -0.557 7.8-151.3-100.4 167.4 20.2 7.7 29.2 59 65 A G E +Ad 12 241A 0 -47,-2.3 -47,-2.8 181,-0.2 183,-0.2 -0.993 30.3 154.9-142.9 136.9 18.0 6.1 26.6 60 66 A T E S+ 0 0 4 181,-3.1 182,-0.2 -2,-0.4 -1,-0.1 0.553 90.3 37.3-117.2 -29.6 18.5 3.6 23.8 61 67 A G E S+ 0 0 13 180,-2.6 181,-0.2 50,-0.1 183,-0.1 0.132 78.0 137.7-112.6 16.7 15.0 2.2 23.6 62 68 A Q E -A 10 0A 0 -52,-1.0 -52,-2.4 179,-0.4 2,-0.4 -0.320 33.9-162.7 -58.3 145.0 12.8 5.3 24.2 63 69 A V E -A 9 0A 9 -54,-0.2 -13,-2.2 40,-0.1 2,-0.3 -0.996 9.1-178.7-132.2 138.1 9.8 5.6 22.0 64 70 A V E -AC 8 49A 0 -56,-2.4 -56,-2.3 -2,-0.4 2,-0.3 -0.920 10.9-156.1-124.9 163.7 7.7 8.7 21.3 65 71 A H E +AC 7 48A 5 -17,-2.0 -17,-2.0 -2,-0.3 2,-0.3 -0.943 14.8 172.4-128.3 159.7 4.6 9.4 19.2 66 72 A F E -AC 6 47A 0 -60,-1.9 -60,-2.6 -2,-0.3 2,-0.4 -0.972 25.3-127.8-154.2 161.2 3.4 12.7 17.8 67 73 A E E +A 5 0A 94 -21,-0.5 -21,-0.3 -2,-0.3 2,-0.3 -0.886 30.8 170.3-110.0 147.7 0.7 13.9 15.4 68 74 A T E -A 4 0A 3 -64,-2.3 -64,-3.4 -2,-0.4 -23,-0.1 -0.992 40.6-144.8-150.5 156.3 1.4 16.1 12.4 69 75 A T S S+ 0 0 85 -2,-0.3 2,-0.6 -66,-0.2 -1,-0.1 0.459 74.7 108.0 -94.3 -5.4 -0.4 17.4 9.3 70 76 A A - 0 0 5 -66,-0.1 2,-0.7 -27,-0.0 -28,-0.1 -0.621 58.7-154.8 -82.8 119.4 2.9 17.1 7.4 71 77 A L + 0 0 123 -2,-0.6 2,-0.3 -30,-0.1 -2,-0.1 -0.822 32.4 158.9 -89.0 113.0 3.2 14.3 4.9 72 78 A R - 0 0 92 -2,-0.7 2,-0.1 2,-0.0 -31,-0.0 -0.953 42.5-106.0-134.4 159.2 6.9 13.5 4.6 73 79 A K >> - 0 0 175 -2,-0.3 3,-1.4 1,-0.1 4,-1.0 -0.453 43.0-101.9 -80.0 161.6 9.0 10.6 3.5 74 80 A D H 3> S+ 0 0 96 1,-0.3 4,-0.7 2,-0.2 3,-0.2 0.823 119.1 64.7 -56.7 -32.7 10.7 8.5 6.1 75 81 A A H >>>S+ 0 0 51 1,-0.2 5,-2.4 2,-0.2 4,-0.7 0.861 97.2 54.8 -57.7 -34.3 14.1 10.2 5.5 76 82 A A H <4>S+ 0 0 26 -3,-1.4 5,-1.0 1,-0.2 -1,-0.2 0.923 108.0 49.2 -67.6 -37.0 12.7 13.6 6.7 77 83 A W H 3<5S+ 0 0 4 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.540 127.4 24.1 -80.0 -4.1 11.7 12.0 10.0 78 84 A T H 4< S+ 0 0 10 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.892 102.4 59.5 -59.9 -31.9 18.8 14.2 13.1 83 89 A A H 3< S+ 0 0 83 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.713 108.0 45.7 -64.8 -23.2 20.2 17.2 11.1 84 90 A N T << S+ 0 0 62 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.233 103.0 82.8-103.0 7.9 18.3 19.5 13.5 85 91 A L S < S- 0 0 17 -3,-1.3 -52,-0.1 -4,-0.3 -53,-0.0 -0.829 83.2-104.6-111.0 154.2 19.3 17.7 16.7 86 92 A P > - 0 0 42 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.174 41.8-101.2 -68.2 163.9 22.5 18.0 18.8 87 93 A G T 3 S+ 0 0 43 1,-0.3 305,-0.0 3,-0.0 -2,-0.0 0.639 117.4 59.6 -66.0 -15.0 25.0 15.2 18.6 88 94 A D T 3 S+ 0 0 16 -75,-0.1 -75,-2.5 -76,-0.1 2,-0.4 0.234 101.1 57.9-103.3 15.4 23.9 13.5 21.8 89 95 A I E < +B 12 0A 0 -3,-1.5 2,-0.3 -77,-0.2 -77,-0.2 -0.996 65.6 168.7-136.0 142.1 20.3 12.9 20.8 90 96 A A E -B 11 0A 1 -79,-2.7 -79,-2.9 -2,-0.4 2,-0.4 -0.993 35.1-122.7-154.4 145.2 19.2 10.8 17.7 91 97 A V E -B 10 0A 1 -2,-0.3 -81,-0.2 -13,-0.3 3,-0.1 -0.712 20.3-174.4 -77.3 137.1 16.3 9.2 15.9 92 98 A R E - 0 0 26 -83,-3.0 2,-0.3 1,-0.4 294,-0.2 0.660 64.4 -14.4-102.4 -28.2 16.9 5.4 15.4 93 99 A W E -B 9 0A 31 -84,-0.9 -84,-1.9 -16,-0.1 -1,-0.4 -0.964 53.1-138.1-167.4 162.0 13.7 4.7 13.3 94 100 A V E +B 8 0A 17 -2,-0.3 2,-0.3 -86,-0.2 -86,-0.2 -0.970 18.2 174.6-126.9 141.6 10.3 6.0 12.2 95 101 A K E -B 7 0A 63 -88,-2.5 -88,-3.2 -2,-0.3 2,-0.2 -0.951 27.8-133.0-146.1 128.4 7.0 4.1 11.9 96 102 A T E -B 6 0A 87 -2,-0.3 -90,-0.2 -90,-0.2 -2,-0.0 -0.540 35.7-166.2 -74.8 141.9 3.5 5.5 11.0 97 103 A V - 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