==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-MAY-08 3D63 . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 524 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 26.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 42 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 0 0 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 4 0 3 5 1 6 0 0 0 3 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 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 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 3 A F 0 0 136 0, 0.0 58,-0.1 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 -20.3 29.8 -18.3 -17.0 2 4 A S + 0 0 100 1,-0.2 0, 0.0 56,-0.1 0, 0.0 0.516 360.0 63.9-101.8 -10.3 32.3 -21.1 -17.0 3 5 A N S S+ 0 0 163 2,-0.1 -1,-0.2 56,-0.0 0, 0.0 0.639 87.0 102.3 -79.6 -15.8 33.4 -20.5 -13.4 4 6 A V - 0 0 24 1,-0.1 2,-0.1 -3,-0.1 13,-0.1 -0.516 69.8-134.4 -89.5 125.6 29.9 -21.4 -12.5 5 7 A P - 0 0 80 0, 0.0 10,-0.1 0, 0.0 3,-0.1 -0.390 19.4-122.5 -75.5 160.8 28.9 -24.7 -11.0 6 8 A A S S- 0 0 8 1,-0.2 9,-2.6 53,-0.1 2,-0.3 0.745 81.0 -29.4 -72.1 -25.8 25.9 -26.5 -12.3 7 9 A G - 0 0 16 7,-0.3 7,-0.2 50,-0.1 -1,-0.2 -0.977 41.4-122.0 176.1 161.0 24.3 -26.6 -8.9 8 10 A K S S+ 0 0 140 5,-0.3 6,-0.2 -2,-0.3 -1,-0.1 0.540 112.1 12.5 -98.8 -11.5 24.7 -26.8 -5.1 9 11 A D B >> S-A 13 0A 39 4,-1.6 4,-2.1 -3,-0.0 3,-0.5 -0.418 101.1-114.5-167.4 80.8 22.7 -30.0 -4.9 10 12 A L T 34 S+ 0 0 49 1,-0.3 356,-0.3 -3,-0.2 4,-0.1 -0.365 79.4 3.0 -74.5 141.6 22.1 -31.7 -8.2 11 13 A P T 34 S+ 0 0 12 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.997 130.9 40.6-100.8 1.1 19.7 -32.3 -9.7 12 14 A Q T <4 S+ 0 0 53 -3,-0.5 2,-0.5 352,-0.2 76,-0.5 0.751 117.1 48.2 -79.0 -23.3 17.0 -30.6 -7.7 13 15 A D B < S+A 9 0A 21 -4,-2.1 -4,-1.6 74,-0.1 -5,-0.3 -0.971 77.2 148.6-130.4 109.4 19.0 -27.6 -6.9 14 16 A F E -B 86 0B 0 72,-2.6 72,-3.9 -2,-0.5 2,-0.4 -0.886 40.2-111.2-145.3 165.8 20.8 -25.9 -9.7 15 17 A N E -B 85 0B 9 -9,-2.6 2,-0.5 -2,-0.3 70,-0.2 -0.877 20.6-163.8-107.2 137.7 22.1 -22.7 -11.2 16 18 A V E -B 84 0B 0 68,-2.5 68,-2.3 -2,-0.4 2,-0.5 -0.982 10.6-149.3-123.7 122.5 20.8 -20.9 -14.3 17 19 A I E -BC 83 56B 1 39,-3.0 39,-2.0 -2,-0.5 2,-0.3 -0.812 27.0-130.0 -86.3 124.1 22.8 -18.2 -16.2 18 20 A I E + C 0 55B 2 64,-3.1 63,-3.7 -2,-0.5 37,-0.3 -0.638 36.0 164.9 -87.7 132.5 20.2 -15.8 -17.7 19 21 A E E S+ 0 0 87 35,-3.1 36,-0.2 -2,-0.3 -1,-0.2 0.764 71.5 30.6-104.0 -56.0 20.6 -14.9 -21.4 20 22 A I E S- C 0 54B 41 34,-2.3 34,-2.0 59,-0.1 -1,-0.3 -0.923 78.0-140.6-112.4 111.7 17.3 -13.3 -22.3 21 23 A P > - 0 0 32 0, 0.0 3,-1.3 0, 0.0 29,-0.2 -0.339 32.2 -98.5 -63.4 149.7 15.3 -11.5 -19.6 22 24 A A T 3 S+ 0 0 12 1,-0.2 31,-0.1 50,-0.1 3,-0.1 -0.334 108.3 25.9 -61.9 154.0 11.6 -11.9 -19.5 23 25 A Q T 3 S+ 0 0 100 27,-2.9 -1,-0.2 1,-0.2 26,-0.1 0.439 89.2 154.4 64.8 2.9 9.5 -9.2 -21.2 24 26 A S < - 0 0 29 -3,-1.3 26,-1.6 28,-0.2 -1,-0.2 -0.243 52.7 -96.6 -52.6 146.5 12.5 -8.4 -23.4 25 27 A E - 0 0 86 24,-0.2 2,-2.8 1,-0.1 -1,-0.1 -0.395 33.4-114.9 -61.6 139.0 11.9 -6.8 -26.8 26 28 A P S S+ 0 0 14 0, 0.0 18,-2.3 0, 0.0 2,-0.4 -0.298 77.0 121.9 -76.8 56.5 11.8 -9.3 -29.7 27 29 A V E -H 43 0C 15 -2,-2.8 2,-0.5 16,-0.2 16,-0.2 -0.989 51.2-149.8-127.5 125.7 14.9 -7.8 -31.2 28 30 A K E -H 42 0C 106 14,-3.0 13,-2.5 -2,-0.4 14,-1.4 -0.794 15.2-169.3 -98.7 122.1 18.0 -9.7 -31.9 29 31 A Y E -H 40 0C 92 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.590 6.2-157.3-105.4 172.8 21.4 -8.0 -31.8 30 32 A E E -H 39 0C 82 9,-1.7 9,-2.7 -2,-0.2 2,-0.4 -0.934 18.6-125.7-156.7 121.7 24.9 -9.0 -32.8 31 33 A A E -H 38 0C 77 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.558 19.2-151.4 -69.3 121.9 28.4 -7.8 -31.8 32 34 A D E >>> -H 37 0C 50 5,-3.1 4,-3.0 -2,-0.4 5,-1.0 -0.894 4.6-162.7 -98.7 112.7 30.4 -6.8 -34.7 33 35 A K T 345S+ 0 0 191 -2,-0.7 -1,-0.1 1,-0.3 5,-0.0 0.773 87.9 54.0 -71.9 -26.5 34.0 -7.4 -33.7 34 36 A A T 345S+ 0 0 93 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.714 119.2 35.8 -79.5 -18.8 35.5 -5.2 -36.4 35 37 A L T <45S- 0 0 111 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.753 94.5-135.1-106.5 -33.8 33.4 -2.3 -35.2 36 38 A G T <5S+ 0 0 66 -4,-3.0 2,-0.3 1,-0.3 -3,-0.2 0.695 71.4 101.9 79.0 19.6 33.3 -2.8 -31.5 37 39 A L E - 0 0 12 -18,-2.3 3,-1.0 -2,-0.6 97,-0.1 -0.508 45.7 -26.5 -90.5 139.2 11.9 -11.7 -34.3 45 47 A G T 3 S- 0 0 22 95,-0.8 95,-0.2 1,-0.2 -2,-0.1 -0.267 107.4 -42.7 67.8-146.4 8.6 -13.4 -34.6 46 48 A T T 3 S- 0 0 100 93,-0.1 -1,-0.2 2,-0.1 94,-0.1 0.233 96.1 -82.0-104.4 8.9 5.4 -11.4 -35.0 47 49 A G S < S+ 0 0 51 -3,-1.0 2,-0.4 1,-0.3 -2,-0.1 0.511 82.2 141.3 104.3 8.5 6.4 -8.9 -32.3 48 50 A M - 0 0 40 -4,-0.1 -1,-0.3 88,-0.1 -2,-0.1 -0.645 49.8-123.6 -79.5 130.9 5.4 -10.7 -29.1 49 51 A R - 0 0 133 -2,-0.4 -24,-0.2 1,-0.1 -25,-0.1 -0.343 37.4 -80.4 -67.5 159.9 7.9 -10.1 -26.3 50 52 A Y - 0 0 23 -26,-1.6 -27,-2.9 -29,-0.2 -26,-0.1 -0.434 39.8-157.7 -59.1 123.9 9.7 -13.0 -24.5 51 53 A P + 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.583 68.7 22.3 -92.2 -7.4 7.2 -14.2 -21.9 52 54 A V S S- 0 0 9 -31,-0.1 -28,-0.2 81,-0.1 21,-0.2 -0.944 89.7 -86.5-144.0 166.4 9.7 -15.8 -19.6 53 55 A N E - D 0 72B 0 19,-1.5 19,-1.2 -2,-0.3 2,-0.4 -0.395 42.0-158.6 -70.8 150.7 13.4 -15.6 -18.6 54 56 A Y E +CD 20 71B 50 -34,-2.0 -35,-3.1 17,-0.2 -34,-2.3 -0.997 29.1 120.2-136.3 129.7 15.7 -17.8 -20.7 55 57 A G E -CD 18 70B 0 15,-2.1 15,-2.1 -2,-0.4 2,-0.3 -0.798 43.4-104.2-156.3-150.6 19.1 -19.1 -19.9 56 58 A F E -CD 17 69B 34 -39,-2.0 -39,-3.0 -2,-0.2 13,-0.2 -0.975 22.8-109.5-150.1 159.3 21.2 -22.2 -19.4 57 59 A I - 0 0 0 11,-2.3 3,-0.5 -2,-0.3 11,-0.4 -0.833 40.9-130.3 -91.6 119.3 22.7 -24.4 -16.8 58 60 A P S S+ 0 0 2 0, 0.0 -43,-0.2 0, 0.0 3,-0.1 -0.326 84.3 30.8 -68.8 155.1 26.5 -24.1 -16.8 59 61 A Q S S+ 0 0 50 1,-0.3 2,-0.3 -58,-0.1 112,-0.2 0.843 100.2 115.2 69.6 34.1 28.8 -27.1 -16.9 60 62 A T - 0 0 7 -3,-0.5 2,-0.3 111,-0.1 -1,-0.3 -0.914 47.8-165.9-131.4 166.9 26.3 -29.1 -18.9 61 63 A L - 0 0 53 106,-1.6 109,-0.3 -2,-0.3 110,-0.1 -0.884 13.9-156.6-152.3 109.6 25.8 -30.6 -22.3 62 64 A S > - 0 0 15 4,-3.8 3,-1.4 -2,-0.3 6,-0.0 -0.103 46.1 -79.4 -78.0-173.3 22.5 -31.8 -23.6 63 65 A G T 3 S+ 0 0 58 1,-0.3 211,-0.2 2,-0.1 -1,-0.1 0.514 125.2 51.2 -70.9 -3.7 22.0 -34.3 -26.2 64 66 A D T 3 S- 0 0 81 2,-0.3 -1,-0.3 209,-0.1 -3,-0.0 0.301 119.3 -91.9-126.2 3.4 22.7 -31.9 -29.0 65 67 A G S < S+ 0 0 41 -3,-1.4 -2,-0.1 1,-0.4 208,-0.0 0.325 95.9 98.2 106.4 -6.7 26.0 -30.3 -28.2 66 68 A D S S- 0 0 92 1,-0.1 -4,-3.8 3,-0.0 -1,-0.4 -0.657 79.2 -95.7-106.6 163.3 24.5 -27.4 -26.3 67 69 A P - 0 0 47 0, 0.0 2,-0.2 0, 0.0 -6,-0.2 -0.420 58.4 -74.4 -76.2 159.8 24.1 -26.7 -22.6 68 70 A V - 0 0 1 -11,-0.4 -11,-2.3 96,-0.1 2,-0.2 -0.386 51.1-133.9 -60.2 119.4 20.8 -27.5 -20.9 69 71 A D E -D 56 0B 30 33,-0.3 35,-2.3 -2,-0.2 2,-0.4 -0.549 23.0-165.3 -76.2 138.2 18.1 -24.9 -21.8 70 72 A V E -De 55 104B 0 -15,-2.1 -15,-2.1 -2,-0.2 2,-0.6 -0.993 22.1-156.4-141.9 134.9 15.9 -23.3 -19.2 71 73 A L E -De 54 105B 2 33,-3.5 35,-2.9 -2,-0.4 2,-0.7 -0.926 23.7-161.9-103.6 109.4 12.7 -21.3 -18.9 72 74 A V E -De 53 106B 0 -19,-1.2 -19,-1.5 -2,-0.6 2,-0.4 -0.827 4.1-152.9-107.4 112.3 12.8 -19.5 -15.6 73 75 A I + 0 0 11 33,-2.7 -21,-0.1 -2,-0.7 3,-0.0 -0.654 26.7 156.5 -87.6 125.5 9.5 -18.1 -14.3 74 76 A T - 0 0 26 -2,-0.4 -21,-0.1 33,-0.1 4,-0.1 -0.969 51.3-118.5-143.8 155.5 9.8 -15.1 -12.0 75 77 A P S S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.805 103.1 24.2 -62.0 -30.9 7.4 -12.3 -11.0 76 78 A F S S- 0 0 159 1,-0.1 -54,-0.1 -3,-0.0 -53,-0.1 -0.954 98.3 -87.5-140.3 147.9 9.8 -9.8 -12.5 77 79 A P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.010 37.4-133.8 -59.2 160.4 12.5 -10.0 -15.2 78 80 A L - 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