==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-SEP-08 3EJ0 . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI 1710B; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 173 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 26.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 12 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 2 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 45 0, 0.0 3,-1.7 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 -40.6 0.1 -31.6 -5.0 2 4 A S T 3 + 0 0 54 31,-0.6 31,-0.1 1,-0.3 32,-0.0 0.513 360.0 49.6 -69.9 -3.5 -0.4 -29.8 -1.7 3 5 A N T 3 S+ 0 0 140 2,-0.1 -1,-0.3 30,-0.1 3,-0.0 0.393 80.7 108.0-113.1 -3.7 3.1 -30.6 -0.5 4 6 A V S < S- 0 0 40 -3,-1.7 13,-0.1 1,-0.1 11,-0.1 -0.675 78.5-113.9 -74.7 125.1 5.0 -29.5 -3.5 5 7 A P - 0 0 73 0, 0.0 10,-0.2 0, 0.0 3,-0.1 -0.285 11.3-128.3 -57.3 143.7 6.8 -26.2 -2.6 6 8 A A S S- 0 0 9 1,-0.2 9,-2.6 53,-0.1 2,-0.3 0.833 81.7 -32.3 -58.4 -34.7 5.7 -23.0 -4.3 7 9 A G - 0 0 14 7,-0.3 3,-0.4 1,-0.1 -1,-0.2 -0.913 43.0-117.1 177.5 155.0 9.3 -22.4 -5.2 8 10 A K S S+ 0 0 147 -2,-0.3 6,-0.2 1,-0.2 -1,-0.1 0.746 114.8 8.1 -69.2 -28.2 13.0 -22.8 -4.4 9 11 A D B >> S-A 13 0A 96 4,-2.0 4,-2.0 -3,-0.1 3,-0.8 -0.476 101.3-115.3-159.3 77.5 13.4 -19.0 -4.3 10 12 A L T 34 S+ 0 0 62 -3,-0.4 4,-0.1 1,-0.3 -3,-0.1 -0.288 81.7 8.3 -70.1 146.5 10.1 -17.1 -4.5 11 13 A P T 34 S+ 0 0 23 0, 0.0 -1,-0.3 0, 0.0 77,-0.2 -0.992 132.4 37.7 -93.3 0.1 9.0 -15.2 -6.4 12 14 A Q T <4 S+ 0 0 93 -3,-0.8 2,-0.6 1,-0.2 76,-0.3 0.785 116.8 46.2 -86.0 -22.6 11.6 -15.5 -9.2 13 15 A D B < S+A 9 0A 23 -4,-2.0 -4,-2.0 74,-0.1 2,-0.3 -0.944 80.7 153.2-121.3 102.5 12.3 -19.3 -9.0 14 16 A F E -B 86 0B 0 72,-1.8 72,-3.2 -2,-0.6 2,-0.3 -0.823 39.0-117.4-132.2 170.6 9.0 -21.2 -8.7 15 17 A N E -B 85 0B 19 -9,-2.6 2,-0.4 -2,-0.3 70,-0.2 -0.818 19.0-162.5-109.7 144.8 7.4 -24.6 -9.4 16 18 A V E -B 84 0B 0 68,-2.2 68,-2.6 -2,-0.3 2,-0.5 -0.994 9.5-150.3-130.6 126.2 4.5 -25.3 -11.8 17 19 A I E -BC 83 56B 3 39,-2.9 39,-1.9 -2,-0.4 2,-0.3 -0.825 26.5-129.9 -91.9 125.9 2.3 -28.4 -11.8 18 20 A I E + C 0 55B 0 64,-2.9 63,-3.3 -2,-0.5 37,-0.3 -0.648 35.4 166.1 -85.0 133.6 1.1 -29.0 -15.3 19 21 A E E S+ 0 0 10 35,-3.0 36,-0.2 -2,-0.3 -1,-0.2 0.726 71.4 26.3-108.9 -38.4 -2.6 -29.7 -15.7 20 22 A I E S- C 0 54B 2 34,-2.5 34,-2.7 8,-0.1 -1,-0.3 -0.944 76.2-139.0-134.1 110.9 -3.1 -29.3 -19.5 21 23 A P > - 0 0 26 0, 0.0 3,-1.9 0, 0.0 29,-0.3 -0.342 37.1 -89.4 -64.2 150.2 -0.3 -30.0 -22.1 22 24 A A T 3 S+ 0 0 14 1,-0.3 31,-0.1 50,-0.2 30,-0.0 -0.297 111.6 5.7 -52.1 135.8 0.2 -27.7 -25.1 23 25 A Q T 3 S+ 0 0 104 27,-3.6 -1,-0.3 1,-0.2 30,-0.1 0.579 91.4 152.0 65.0 10.5 -1.9 -29.0 -28.0 24 26 A S < - 0 0 31 -3,-1.9 26,-0.2 26,-0.2 -1,-0.2 -0.328 61.0 -77.5 -66.4 158.0 -3.6 -31.7 -26.0 25 27 A E - 0 0 145 1,-0.2 2,-2.6 24,-0.1 25,-0.1 -0.217 64.9 -87.7 -54.4 150.2 -7.1 -32.9 -27.1 26 28 A P S S+ 0 0 35 0, 0.0 18,-1.0 0, 0.0 2,-0.5 -0.318 85.6 122.1 -75.8 69.3 -9.6 -30.3 -25.9 27 29 A V E -H 43 0C 22 -2,-2.6 2,-0.6 16,-0.2 16,-0.2 -0.997 53.5-140.2-128.9 124.3 -10.4 -31.6 -22.4 28 30 A K E -H 42 0C 32 14,-3.0 13,-3.0 -2,-0.5 14,-1.3 -0.757 18.7-170.7 -86.7 121.1 -9.8 -29.3 -19.4 29 31 A Y E -H 40 0C 87 -2,-0.6 2,-0.4 11,-0.2 11,-0.2 -0.822 5.4-163.1-106.3 153.2 -8.3 -31.0 -16.3 30 32 A E E -H 39 0C 71 9,-2.0 9,-2.6 -2,-0.3 2,-0.2 -0.998 23.8-120.4-133.1 128.1 -8.0 -29.4 -12.9 31 33 A A E -H 38 0C 5 -2,-0.4 2,-1.0 7,-0.2 7,-0.3 -0.508 15.7-145.8 -69.1 132.7 -5.7 -30.7 -10.2 32 34 A D E >>> -H 37 0C 53 5,-3.5 4,-2.7 -2,-0.2 5,-1.1 -0.843 12.8-172.1 -96.2 98.4 -7.4 -31.7 -7.0 33 35 A K T 345S+ 0 0 61 -2,-1.0 -31,-0.6 1,-0.3 -1,-0.2 0.870 85.0 60.0 -57.1 -35.9 -4.9 -30.9 -4.3 34 36 A A T 345S+ 0 0 90 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.840 119.5 27.0 -62.9 -29.2 -7.1 -32.5 -1.8 35 37 A L T <45S- 0 0 119 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.646 97.1-125.4-106.5 -19.8 -6.8 -35.8 -3.7 36 38 A G T <5S+ 0 0 35 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.798 75.1 108.5 72.1 28.7 -3.5 -35.6 -5.5 37 39 A L E - 0 0 17 -18,-1.0 3,-1.5 -2,-0.9 97,-0.1 -0.279 16.1-145.4 -54.8 115.3 -14.4 -27.5 -24.1 45 47 A G T 3 S+ 0 0 42 1,-0.3 -1,-0.1 -2,-0.1 96,-0.1 0.845 100.4 46.6 -54.2 -39.3 -17.5 -26.5 -26.3 46 48 A T T 3 S- 0 0 42 94,-0.8 -1,-0.3 2,-0.1 3,-0.1 0.652 103.1-134.7 -76.5 -13.6 -15.4 -24.8 -29.0 47 49 A G < + 0 0 34 -3,-1.5 2,-0.2 1,-0.2 -2,-0.1 0.723 49.4 156.2 62.5 24.5 -13.0 -27.8 -29.0 48 50 A M - 0 0 48 92,-0.3 2,-0.3 -22,-0.1 -1,-0.2 -0.547 33.3-137.8 -84.4 147.6 -10.0 -25.3 -28.9 49 51 A R - 0 0 106 -2,-0.2 -24,-0.1 -3,-0.1 -27,-0.1 -0.785 23.2 -99.0-107.6 147.6 -6.7 -26.5 -27.5 50 52 A Y - 0 0 4 -2,-0.3 -27,-3.6 -29,-0.3 -26,-0.2 -0.442 24.8-150.7 -60.5 125.9 -4.2 -24.8 -25.3 51 53 A P S S+ 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.661 81.4 23.0 -73.5 -14.1 -1.5 -23.3 -27.4 52 54 A V S S- 0 0 5 -31,-0.1 21,-0.2 21,-0.1 -29,-0.2 -0.911 103.9 -74.8-143.4 167.1 1.0 -23.7 -24.5 53 55 A N E - D 0 72B 0 19,-1.4 19,-2.4 -2,-0.3 2,-0.4 -0.369 47.4-153.4 -68.3 147.1 1.2 -25.8 -21.4 54 56 A Y E +CD 20 71B 18 -34,-2.7 -35,-3.0 17,-0.2 -34,-2.5 -0.974 31.0 120.8-127.2 133.2 -1.2 -24.8 -18.6 55 57 A G E -CD 18 70B 0 15,-2.5 15,-2.5 -2,-0.4 2,-0.3 -0.825 42.5-101.8-161.2-159.3 -0.8 -25.3 -14.8 56 58 A F E -CD 17 69B 5 -39,-1.9 -39,-2.9 13,-0.3 13,-0.2 -0.961 23.3-112.2-143.4 158.2 -0.6 -23.8 -11.4 57 59 A I > - 0 0 0 11,-2.5 3,-0.7 -2,-0.3 11,-0.4 -0.828 42.0-130.1 -86.6 118.0 1.8 -22.8 -8.7 58 60 A P T 3 S+ 0 0 2 0, 0.0 -43,-0.2 0, 0.0 3,-0.1 -0.289 86.4 28.4 -67.8 157.9 1.1 -25.1 -5.7 59 61 A Q T 3 S+ 0 0 67 1,-0.3 2,-0.3 -54,-0.1 112,-0.2 0.797 96.9 114.3 60.4 33.9 0.7 -23.5 -2.3 60 62 A T < - 0 0 3 -3,-0.7 2,-0.4 111,-0.1 -1,-0.3 -0.928 47.8-162.9-125.6 154.3 -0.6 -20.3 -3.7 61 63 A L - 0 0 62 106,-1.6 109,-0.2 -2,-0.3 110,-0.2 -0.926 9.7-159.6-138.3 110.7 -4.1 -18.7 -3.5 62 64 A S > - 0 0 18 4,-3.2 3,-2.0 -2,-0.4 102,-0.0 -0.362 39.3 -96.5 -82.0 172.3 -5.0 -16.0 -5.9 63 65 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.1 2,-0.1 38,-0.0 0.772 122.4 63.7 -60.1 -27.5 -7.9 -13.5 -5.2 64 66 A D T 3 S- 0 0 75 2,-0.2 -1,-0.3 1,-0.1 37,-0.0 0.482 119.5-107.6 -78.0 -1.0 -10.3 -15.7 -7.2 65 67 A G S < S+ 0 0 47 -3,-2.0 -2,-0.1 1,-0.4 -1,-0.1 0.333 90.2 95.0 93.3 -8.6 -9.8 -18.5 -4.7 66 68 A D S S- 0 0 94 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.4 -0.719 84.1 -85.6-107.6 165.9 -7.8 -20.7 -7.0 67 69 A P - 0 0 20 0, 0.0 2,-0.2 0, 0.0 -6,-0.2 -0.217 56.7 -82.0 -64.0 159.7 -4.0 -21.0 -7.2 68 70 A V - 0 0 1 -11,-0.4 -11,-2.5 96,-0.1 2,-0.3 -0.456 53.4-143.2 -60.5 124.2 -2.0 -18.7 -9.4 69 71 A D E -D 56 0B 14 33,-0.5 35,-2.4 -2,-0.2 2,-0.4 -0.688 16.9-166.1-102.4 154.4 -2.2 -20.2 -12.9 70 72 A V E -De 55 104B 0 -15,-2.5 -15,-2.5 -2,-0.3 2,-0.5 -0.996 21.9-144.6-144.4 135.3 0.6 -20.2 -15.4 71 73 A L E -De 54 105B 1 33,-3.1 35,-3.3 -2,-0.4 2,-0.6 -0.891 24.5-161.3 -93.4 125.1 1.2 -20.8 -19.1 72 74 A V E -De 53 106B 0 -19,-2.4 -19,-1.4 -2,-0.5 2,-0.5 -0.931 6.6-147.4-117.5 111.7 4.6 -22.5 -19.7 73 75 A I + 0 0 23 33,-2.5 -21,-0.1 -2,-0.6 43,-0.0 -0.646 29.3 161.0 -78.3 124.7 6.1 -22.3 -23.1 74 76 A T - 0 0 28 -2,-0.5 -21,-0.1 33,-0.1 4,-0.0 -0.969 49.3-119.7-140.2 157.7 8.2 -25.4 -24.1 75 77 A P S S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.693 104.5 25.2 -70.8 -19.5 9.5 -27.0 -27.2 76 78 A F S S- 0 0 165 -3,-0.0 -54,-0.1 0, 0.0 0, 0.0 -0.978 101.2 -94.2-137.2 146.2 7.6 -30.3 -26.6 77 79 A P - 0 0 76 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.278 41.9-124.3 -60.4 146.6 4.4 -30.5 -24.5 78 80 A L - 0 0 44 -58,-0.1 2,-0.2 1,-0.1 3,-0.1 -0.535 29.6 -92.9 -89.1 158.0 4.9 -31.5 -20.9 79 81 A L > - 0 0 136 -2,-0.2 3,-2.0 1,-0.1 -61,-0.3 -0.478 42.4-110.8 -71.3 129.8 3.3 -34.5 -19.2 80 82 A A T 3 S+ 0 0 41 1,-0.3 -61,-0.2 -2,-0.2 -1,-0.1 -0.416 105.0 22.3 -59.2 138.1 0.0 -33.7 -17.4 81 83 A G T 3 S+ 0 0 34 -63,-3.3 -1,-0.3 1,-0.3 -62,-0.1 0.339 97.7 120.3 85.5 -6.3 0.6 -33.9 -13.6 82 84 A S < - 0 0 35 -3,-2.0 -64,-2.9 -64,-0.1 2,-0.4 -0.394 58.7-126.8 -83.4 168.5 4.3 -33.4 -13.9 83 85 A V E -B 17 0B 82 -66,-0.2 2,-0.4 -3,-0.1 -66,-0.2 -0.932 20.4-168.5-119.1 140.5 6.2 -30.5 -12.2 84 86 A V E -B 16 0B 13 -68,-2.6 -68,-2.2 -2,-0.4 2,-0.5 -0.989 23.0-128.8-129.4 136.1 8.5 -28.0 -13.8 85 87 A R E +B 15 0B 79 -2,-0.4 24,-2.7 -70,-0.2 2,-0.2 -0.727 46.1 177.6 -78.3 124.8 10.9 -25.5 -12.3 86 88 A A E -BF 14 108B 2 -72,-3.2 -72,-1.8 -2,-0.5 2,-0.3 -0.765 31.4-147.8-132.7 168.4 10.1 -22.2 -14.0 87 89 A R E - F 0 107B 44 20,-2.8 20,-2.2 -2,-0.2 2,-0.2 -0.981 30.7-112.7-138.4 148.9 10.7 -18.5 -14.4 88 90 A A E + F 0 106B 6 -76,-0.3 18,-0.3 -2,-0.3 69,-0.1 -0.496 24.5 179.0 -88.6 149.1 8.3 -15.7 -15.3 89 91 A L E - 0 0 0 16,-3.0 33,-1.7 1,-0.4 68,-0.3 0.497 64.9 -77.4-112.1 -21.3 8.3 -13.6 -18.5 90 92 A G E - F 0 105B 0 15,-1.4 15,-2.5 66,-0.2 -1,-0.4 -0.991 51.3 -82.4 156.5-150.9 5.2 -11.6 -17.6 91 93 A M E -GF 155 104B 9 64,-2.3 64,-2.4 -2,-0.3 2,-0.5 -0.984 16.1-127.9-151.2 157.6 1.4 -12.0 -17.5 92 94 A L E -GF 154 103B 0 11,-3.2 11,-1.8 -2,-0.3 2,-0.4 -0.956 28.2-146.5-108.5 119.0 -1.7 -11.8 -19.6 93 95 A K E +GF 153 102B 70 60,-3.3 59,-2.7 -2,-0.5 60,-1.4 -0.728 30.4 156.7 -90.6 133.4 -4.4 -9.5 -18.0 94 96 A M E -GF 151 101B 3 7,-2.4 7,-2.5 -2,-0.4 2,-0.3 -0.963 29.4-150.6-146.0 161.0 -8.0 -10.5 -18.6 95 97 A T E +GF 150 100B 32 55,-2.8 55,-3.4 -2,-0.3 5,-0.2 -0.997 16.2 179.6-134.5 141.4 -11.5 -10.2 -17.2 96 98 A D E > -GF 149 99B 24 3,-2.5 3,-1.4 -2,-0.3 53,-0.2 -0.644 53.2 -75.3-124.4-171.7 -14.3 -12.7 -17.4 97 99 A E T 3 S+ 0 0 57 51,-1.2 3,-0.1 1,-0.3 52,-0.1 0.704 130.8 48.3 -62.5 -19.0 -17.9 -12.7 -16.2 98 100 A S T 3 S- 0 0 101 1,-0.3 2,-0.3 50,-0.2 -1,-0.3 0.523 119.0 -95.2 -98.6 -9.0 -16.7 -13.5 -12.6 99 101 A G E < S+ F 0 96B 31 -3,-1.4 -3,-2.5 2,-0.0 -1,-0.3 -0.920 72.4 3.7 133.3-157.0 -14.0 -10.8 -12.4 100 102 A V E + F 0 95B 110 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.300 53.2 178.3 -67.4 151.2 -10.3 -10.4 -12.9 101 103 A D E - 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