==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BINDING PROTEIN 16-NOV-95 1PEA . COMPND 2 MOLECULE: AMIDASE OPERON; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR L.H.PEARL,B.P.O'HARA . 368 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 6.2 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 . 2 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 . 28 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 2 0 0 0 1 1 0 1 0 2 2 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 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 0 PARALLEL BRIDGES PER LADDER . 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 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 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 8 A P 0 0 43 0, 0.0 42,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 79.1 57.4 17.1 16.7 2 9 A L E -a 43 0A 34 40,-0.2 69,-0.5 66,-0.2 68,-0.5 -0.849 360.0-167.3-103.7 131.1 58.9 20.4 17.9 3 10 A I E -ab 44 71A 2 40,-2.7 42,-2.1 -2,-0.4 2,-0.5 -0.977 11.2-145.3-125.6 125.2 57.8 21.9 21.3 4 11 A G E -ab 45 72A 0 67,-3.2 69,-2.3 -2,-0.4 2,-0.6 -0.782 9.7-156.5 -90.4 127.4 58.5 25.5 22.6 5 12 A L E -ab 46 73A 1 40,-3.0 42,-1.1 -2,-0.5 2,-0.8 -0.915 7.2-171.9-107.3 109.3 59.2 25.9 26.3 6 13 A L E +ab 47 74A 0 67,-2.4 69,-2.6 -2,-0.6 2,-0.4 -0.758 34.9 131.8-101.5 84.4 58.4 29.4 27.7 7 14 A F - 0 0 2 -2,-0.8 40,-0.2 40,-0.7 43,-0.2 -0.999 54.4-115.0-137.8 132.2 59.8 29.3 31.3 8 15 A S - 0 0 0 -2,-0.4 13,-0.2 40,-0.2 40,-0.1 -0.434 21.0-176.5 -70.7 146.0 62.0 31.9 33.0 9 16 A E S S+ 0 0 59 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.554 79.9 25.4-111.9 -22.1 65.5 31.0 34.1 10 17 A T S S+ 0 0 74 4,-0.1 3,-0.3 3,-0.0 2,-0.1 -0.832 91.8 63.3-133.6 171.2 66.0 34.3 35.8 11 18 A G S > S- 0 0 30 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 -0.440 98.0 -41.8 108.5-177.1 63.6 36.8 37.2 12 19 A V T 3 S+ 0 0 3 38,-0.3 189,-2.4 1,-0.3 3,-0.2 0.765 139.3 30.3 -57.0 -36.2 61.2 37.0 40.1 13 20 A T T 3> S+ 0 0 1 -3,-0.3 4,-2.7 187,-0.3 -1,-0.3 -0.056 79.8 123.0-116.5 30.4 59.8 33.5 39.5 14 21 A A H <> S+ 0 0 9 -3,-1.5 4,-1.7 1,-0.2 5,-0.1 0.869 74.5 52.1 -59.9 -41.1 62.9 31.8 38.0 15 22 A D H > S+ 0 0 48 -4,-0.3 4,-1.3 2,-0.2 259,-0.4 0.891 113.4 41.0 -66.2 -44.2 62.9 29.1 40.7 16 23 A I H >> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.973 115.8 49.8 -70.6 -47.5 59.3 28.0 40.2 17 24 A E H 3X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.3 -2,-0.2 0.785 106.9 54.6 -61.2 -29.3 59.5 28.3 36.4 18 25 A R H 3X S+ 0 0 23 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.3 0.889 106.6 53.7 -67.3 -39.6 62.7 26.2 36.4 19 26 A S H X S+ 0 0 66 -4,-2.1 4,-3.2 -5,-0.2 3,-1.1 0.996 113.1 37.0 -57.3 -67.2 62.4 12.5 28.0 30 37 A Q H 3< S+ 0 0 54 -4,-2.1 6,-0.2 1,-0.3 -2,-0.2 0.817 113.9 55.7 -54.1 -40.6 60.0 9.5 28.6 31 38 A L H 3<>S+ 0 0 1 -4,-1.8 5,-0.9 -5,-0.2 3,-0.3 0.857 114.9 41.1 -63.3 -32.2 57.8 10.3 25.5 32 39 A N H XX5S+ 0 0 44 -4,-1.9 2,-2.8 -3,-1.1 3,-1.8 0.933 108.5 58.2 -78.1 -48.6 61.0 10.1 23.5 33 40 A R T 3<5S+ 0 0 199 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.1 -0.373 100.0 62.5 -81.1 59.8 62.4 7.0 25.4 34 41 A E T 345S- 0 0 111 -2,-2.8 -1,-0.3 -3,-0.3 -2,-0.1 -0.027 140.9 -73.7-165.3 12.8 59.3 5.2 24.3 35 42 A G T <>5 - 0 0 50 -3,-1.8 4,-0.5 2,-0.1 2,-0.5 0.421 69.1-109.6 97.8 1.2 60.0 5.5 20.6 36 43 A G T << - 0 0 4 -5,-0.9 2,-0.3 -4,-0.9 258,-0.1 -0.670 59.9 -51.4 81.8-125.9 59.2 9.2 20.5 37 44 A V B >4 S-E 40 0B 10 3,-1.9 3,-0.9 -2,-0.5 -1,-0.1 -0.854 127.1 -0.9-152.3 106.8 56.0 9.9 18.6 38 45 A G T 34 S- 0 0 77 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.1 0.755 122.4 -72.0 80.0 24.0 55.8 8.4 15.2 39 46 A G T 3< S+ 0 0 72 -4,-0.5 -1,-0.2 1,-0.2 -3,-0.1 0.445 117.4 108.2 69.5 -5.5 59.3 6.9 15.6 40 47 A R B < S-E 37 0B 181 -3,-0.9 -3,-1.9 1,-0.0 -1,-0.2 -0.883 76.3-112.0-102.0 138.1 60.5 10.5 15.2 41 48 A P - 0 0 79 0, 0.0 2,-0.6 0, 0.0 -9,-0.1 -0.425 19.0-126.0 -75.0 142.6 61.9 12.3 18.4 42 49 A I - 0 0 3 -14,-0.2 2,-0.4 -2,-0.1 -40,-0.2 -0.771 30.9-163.0 -86.7 123.3 60.1 15.2 20.0 43 50 A E E -a 2 0A 117 -42,-2.3 -40,-2.7 -2,-0.6 2,-0.2 -0.909 1.4-149.2-112.0 137.9 62.6 18.1 20.2 44 51 A T E -a 3 0A 44 -2,-0.4 2,-0.3 -42,-0.2 -40,-0.2 -0.664 5.5-154.9-110.5 160.0 62.2 21.1 22.5 45 52 A L E -a 4 0A 41 -42,-2.1 -40,-3.0 -2,-0.2 2,-0.3 -0.957 12.8-169.9-124.4 146.4 63.2 24.8 22.3 46 53 A S E +a 5 0A 58 -2,-0.3 2,-0.3 -42,-0.2 -40,-0.2 -0.982 10.4 175.2-141.6 146.8 63.8 27.0 25.3 47 54 A Q E -a 6 0A 77 -42,-1.1 -40,-0.7 -2,-0.3 -2,-0.0 -0.968 30.1-125.9-150.1 142.1 64.3 30.7 25.8 48 55 A D + 0 0 51 -2,-0.3 -40,-0.2 1,-0.1 -42,-0.1 -0.869 23.4 178.7 -92.6 110.8 64.5 32.6 29.0 49 56 A P > - 0 0 0 0, 0.0 3,-1.5 0, 0.0 6,-0.3 0.477 34.9-136.0 -90.2 -3.5 62.1 35.5 29.1 50 57 A G T 3 - 0 0 8 1,-0.3 -38,-0.3 -43,-0.2 -36,-0.1 0.780 59.0 -66.7 56.8 28.8 63.2 36.5 32.6 51 58 A G T 3 S+ 0 0 8 1,-0.2 -1,-0.3 -40,-0.2 -39,-0.1 0.723 98.4 134.5 67.5 26.6 59.6 36.9 33.8 52 59 A D X> - 0 0 66 -3,-1.5 4,-1.6 1,-0.1 3,-1.0 -0.939 53.7-144.8-110.7 123.9 58.9 39.9 31.6 53 60 A P H 3> S+ 0 0 32 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.753 100.2 52.8 -56.9 -29.0 55.6 39.9 29.7 54 61 A D H 3> S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.749 109.0 47.7 -78.4 -28.4 57.2 41.6 26.7 55 62 A R H <> S+ 0 0 110 -3,-1.0 4,-2.3 -6,-0.3 -1,-0.2 0.725 109.4 54.5 -82.5 -25.2 60.0 39.1 26.4 56 63 A Y H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.912 111.2 44.6 -69.3 -44.4 57.4 36.3 26.7 57 64 A R H X S+ 0 0 82 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.920 116.1 47.7 -63.0 -46.3 55.5 37.8 23.8 58 65 A L H X S+ 0 0 99 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.917 114.1 45.9 -60.3 -48.6 58.7 38.3 21.8 59 66 A C H X S+ 0 0 11 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.915 112.8 49.1 -62.7 -46.2 59.9 34.8 22.6 60 67 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.955 112.1 51.2 -56.0 -48.2 56.6 33.2 21.7 61 68 A E H X S+ 0 0 56 -4,-2.7 4,-2.3 1,-0.2 5,-0.4 0.845 112.5 45.3 -57.9 -38.1 56.6 35.3 18.5 62 69 A D H X>S+ 0 0 42 -4,-2.1 4,-1.8 3,-0.2 5,-1.7 0.914 113.1 48.6 -74.3 -41.9 60.1 34.0 17.6 63 70 A F H <5S+ 0 0 5 -4,-3.0 6,-2.1 3,-0.2 4,-0.4 0.949 123.6 33.7 -61.4 -46.6 59.3 30.4 18.4 64 71 A I H X5S+ 0 0 2 -4,-2.9 4,-0.8 -5,-0.2 -2,-0.2 0.986 124.3 39.1 -73.2 -63.1 56.2 30.5 16.4 65 72 A R H <5S+ 0 0 116 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.769 133.1 20.7 -65.2 -24.7 57.1 32.9 13.5 66 73 A N T <5S+ 0 0 97 -4,-1.8 -3,-0.2 -5,-0.4 -1,-0.1 0.821 127.3 40.0-114.4 -39.6 60.6 31.7 13.1 67 74 A R T 4> S- 0 0 1 1,-0.1 4,-1.7 2,-0.1 3,-0.8 -0.333 83.0-126.1 -64.0 132.3 52.4 34.8 36.1 78 85 A S H 3> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.768 104.5 55.2 -50.0 -40.3 49.1 35.7 34.5 79 86 A H H 3> S+ 0 0 50 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.848 107.5 51.5 -66.8 -33.6 50.2 39.0 32.7 80 87 A T H <> S+ 0 0 0 -3,-0.8 4,-1.6 2,-0.2 3,-0.3 0.955 110.0 48.8 -70.9 -37.8 52.8 37.0 30.9 81 88 A R H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.912 111.8 49.6 -61.7 -44.6 50.2 34.4 29.9 82 89 A K H < S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.747 106.8 56.0 -64.6 -29.0 47.9 37.2 28.6 83 90 A A H < S+ 0 0 25 -4,-1.4 4,-0.4 -3,-0.3 -1,-0.2 0.847 112.9 40.6 -70.5 -36.9 50.8 38.7 26.7 84 91 A V H >X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.2 3,-0.8 0.797 97.4 80.0 -80.7 -32.3 51.4 35.4 24.8 85 92 A M H 3X S+ 0 0 38 -4,-2.1 4,-2.7 1,-0.3 5,-0.2 0.825 90.0 49.7 -47.9 -46.2 47.7 34.6 24.3 86 93 A P H 3> S+ 0 0 43 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.873 111.4 52.7 -62.5 -36.7 47.1 37.0 21.3 87 94 A V H <> S+ 0 0 1 -3,-0.8 4,-2.4 -4,-0.4 6,-0.2 0.965 111.6 42.9 -61.6 -56.3 50.2 35.5 19.7 88 95 A V H <>S+ 0 0 0 -4,-2.2 5,-1.8 1,-0.2 4,-0.4 0.916 113.6 52.7 -61.5 -39.6 49.1 31.9 20.0 89 96 A E H ><5S+ 0 0 66 -4,-2.7 3,-1.0 -5,-0.3 -1,-0.2 0.931 111.3 45.1 -65.0 -40.2 45.5 32.7 18.9 90 97 A R H 3<5S+ 0 0 173 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.971 115.8 47.3 -62.4 -50.6 46.6 34.5 15.7 91 98 A A T 3<5S- 0 0 10 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.354 105.7-126.8 -72.1 2.8 49.1 31.7 14.9 92 99 A D T < 5 + 0 0 118 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.798 64.0 142.6 55.2 23.9 46.5 29.0 15.6 93 100 A A < - 0 0 0 -5,-1.8 2,-0.4 -6,-0.2 -22,-0.2 -0.305 47.5-121.4 -88.0 179.8 49.1 27.5 17.9 94 101 A L E -c 71 0A 0 -24,-3.0 -22,-2.5 -2,-0.1 2,-0.4 -0.984 20.1-168.9-127.3 138.6 48.5 25.7 21.3 95 102 A L E -cd 72 110A 0 14,-2.0 16,-3.1 -2,-0.4 2,-0.6 -0.974 11.6-150.2-127.8 134.5 49.8 26.6 24.7 96 103 A C E -cd 73 111A 1 -24,-2.5 -22,-2.0 -2,-0.4 16,-0.2 -0.912 10.9-156.8-102.4 124.6 49.6 24.5 27.9 97 104 A Y E - d 0 112A 1 14,-3.4 16,-3.2 -2,-0.6 2,-0.7 -0.851 8.1-172.8-106.3 101.1 49.5 26.7 31.0 98 105 A P + 0 0 0 0, 0.0 184,-0.3 0, 0.0 183,-0.2 -0.110 51.4 92.2 -87.0 49.7 50.7 24.6 34.0 99 106 A T S S- 0 0 2 -2,-0.7 15,-0.7 15,-0.2 2,-0.2 -0.928 76.3-108.3-146.7 151.0 49.9 27.1 36.7 100 107 A P + 0 0 3 0, 0.0 2,-0.3 0, 0.0 16,-0.2 -0.530 49.3 171.6 -74.4 145.9 47.1 28.1 39.2 101 108 A Y - 0 0 2 14,-2.1 -24,-0.0 -2,-0.2 44,-0.0 -0.935 44.6 -91.0-156.0 171.9 45.4 31.3 38.2 102 109 A E - 0 0 4 -2,-0.3 2,-0.2 1,-0.2 50,-0.1 0.498 56.2-136.9 -62.2 -16.3 42.5 33.8 38.8 103 110 A G + 0 0 2 12,-0.1 -1,-0.2 13,-0.1 256,-0.2 -0.501 65.8 104.7 87.3-163.2 39.9 32.4 36.4 104 111 A F + 0 0 76 254,-2.0 2,-0.3 -2,-0.2 255,-0.1 0.814 63.3 105.1 54.0 40.2 37.7 34.4 34.1 105 112 A E - 0 0 16 221,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.996 41.0-178.6-148.8 143.5 39.5 33.6 30.9 106 113 A Y + 0 0 120 -2,-0.3 221,-0.1 -3,-0.1 220,-0.0 -0.988 8.4 161.7-142.3 141.0 38.9 31.5 27.9 107 114 A S > - 0 0 0 -2,-0.3 3,-0.9 3,-0.3 -2,-0.0 -0.987 34.7-142.2-153.4 136.3 40.9 30.8 24.7 108 115 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 219,-0.0 0.671 104.1 54.1 -73.0 -15.0 40.5 27.9 22.3 109 116 A N T 3 S+ 0 0 22 -15,-0.1 -14,-2.0 -24,-0.1 2,-0.4 0.056 96.3 74.8-105.3 15.2 44.4 27.8 22.0 110 117 A I E < -d 95 0A 0 -3,-0.9 2,-0.6 -16,-0.2 -3,-0.3 -0.980 61.0-157.4-134.8 128.5 45.3 27.6 25.6 111 118 A V E -d 96 0A 0 -16,-3.1 -14,-3.4 -2,-0.4 2,-0.8 -0.914 17.4-145.1-103.4 115.0 45.0 24.4 27.8 112 119 A Y E +d 97 0A 0 215,-2.7 217,-0.3 -2,-0.6 4,-0.1 -0.739 25.1 170.6 -88.4 112.8 44.7 25.4 31.5 113 120 A G + 0 0 0 -16,-3.2 -1,-0.1 -2,-0.8 171,-0.1 0.376 55.3 68.9-102.3 0.8 46.5 22.8 33.6 114 121 A G S S- 0 0 0 -15,-0.7 215,-0.3 -17,-0.6 -15,-0.2 -0.791 96.0 -76.6-114.2 166.4 46.5 24.5 37.0 115 122 A P - 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