==== 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 30-MAR-09 3GVF . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI 1710B; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 174 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 65.5 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 25.9 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 1.1 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 . 13 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 15.5 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 2 A S > 0 0 101 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -85.5 -48.8 -24.7 -0.2 2 3 A F G > + 0 0 23 1,-0.2 3,-1.2 31,-0.2 32,-0.1 0.797 360.0 67.2 -69.3 -31.2 -46.3 -22.1 0.9 3 4 A S G 3 S+ 0 0 64 31,-0.3 -1,-0.2 1,-0.2 31,-0.1 0.757 103.2 44.4 -64.8 -27.0 -45.0 -21.2 -2.5 4 5 A N G < S+ 0 0 115 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.340 79.7 116.1-103.3 5.9 -48.3 -19.6 -3.7 5 6 A V S < S- 0 0 23 -3,-1.2 13,-0.1 -4,-0.2 11,-0.0 -0.638 70.1-121.0 -73.0 124.4 -49.1 -17.5 -0.6 6 7 A P - 0 0 77 0, 0.0 10,-0.2 0, 0.0 3,-0.1 -0.347 11.0-124.6 -63.1 149.2 -49.1 -13.9 -1.6 7 8 A A S S- 0 0 8 1,-0.2 9,-2.8 53,-0.1 2,-0.3 0.822 82.2 -35.2 -59.5 -33.0 -46.6 -11.6 0.3 8 9 A G - 0 0 17 7,-0.3 3,-0.3 1,-0.1 7,-0.2 -0.938 41.2-115.3 178.5 162.0 -49.6 -9.4 1.1 9 10 A K S S+ 0 0 141 -2,-0.3 6,-0.2 1,-0.2 2,-0.1 0.779 114.4 8.2 -76.8 -31.5 -52.9 -7.8 0.3 10 11 A D B > S-A 14 0A 88 4,-1.9 4,-2.6 -3,-0.1 3,-0.3 -0.599 102.2-116.2-153.6 85.7 -51.5 -4.3 0.4 11 12 A L T 4 S+ 0 0 59 -3,-0.3 4,-0.1 1,-0.3 -3,-0.1 -0.351 78.9 7.1 -76.4 150.6 -47.7 -4.2 0.6 12 13 A P T 4 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 77,-0.1 -0.994 133.7 38.1 -88.5 -4.2 -45.7 -3.2 2.5 13 14 A Q T 4 S+ 0 0 89 -3,-0.3 2,-0.6 1,-0.2 76,-0.4 0.765 117.5 45.4 -81.9 -24.3 -48.1 -2.2 5.3 14 15 A D B < S+A 10 0A 23 -4,-2.6 -4,-1.9 74,-0.1 2,-0.3 -0.936 81.7 153.6-121.5 99.7 -50.6 -5.1 5.0 15 16 A F E -B 87 0B 0 72,-1.9 72,-3.3 -2,-0.6 2,-0.4 -0.811 39.6-117.4-130.1 165.8 -48.7 -8.4 4.7 16 17 A N E -B 86 0B 11 -9,-2.8 2,-0.4 -2,-0.3 70,-0.2 -0.842 19.6-161.2-105.7 144.0 -48.9 -12.1 5.3 17 18 A V E -B 85 0B 0 68,-2.3 68,-2.5 -2,-0.4 2,-0.6 -0.991 9.5-149.6-124.9 127.5 -46.8 -14.2 7.7 18 19 A I E -BC 84 57B 0 39,-2.8 39,-1.9 -2,-0.4 2,-0.4 -0.869 26.0-132.5 -91.1 121.6 -46.4 -17.9 7.6 19 20 A I E + C 0 56B 0 64,-2.7 63,-3.4 -2,-0.6 37,-0.3 -0.621 34.2 166.6 -80.7 128.8 -45.7 -19.1 11.1 20 21 A E E S+ 0 0 13 35,-2.8 36,-0.2 -2,-0.4 -1,-0.2 0.727 71.2 28.1-104.2 -38.1 -42.8 -21.6 11.6 21 22 A I E S- C 0 55B 2 34,-2.4 34,-2.7 59,-0.1 -1,-0.3 -0.955 76.5-139.2-134.3 109.6 -42.3 -21.5 15.4 22 23 A P > - 0 0 27 0, 0.0 3,-1.9 0, 0.0 29,-0.2 -0.359 39.2 -87.0 -65.3 147.9 -45.2 -20.8 17.9 23 24 A A T 3 S+ 0 0 13 1,-0.3 31,-0.1 50,-0.2 30,-0.1 -0.285 111.6 3.9 -49.3 133.3 -44.5 -18.6 20.9 24 25 A Q T 3 S+ 0 0 107 27,-3.0 -1,-0.3 1,-0.2 30,-0.1 0.586 93.1 152.3 64.2 15.0 -43.1 -20.6 23.8 25 26 A S < - 0 0 31 -3,-1.9 26,-0.2 26,-0.2 -1,-0.2 -0.271 60.8 -75.9 -69.3 161.6 -43.1 -23.8 21.8 26 27 A E - 0 0 141 1,-0.2 2,-2.8 24,-0.1 -1,-0.1 -0.246 64.4 -89.3 -58.0 149.3 -40.6 -26.5 22.7 27 28 A P S S+ 0 0 31 0, 0.0 18,-2.0 0, 0.0 2,-0.4 -0.306 84.2 124.5 -76.8 67.3 -37.1 -25.5 21.5 28 29 A V E -H 44 0C 18 -2,-2.8 2,-0.6 16,-0.2 16,-0.2 -0.993 53.5-140.5-126.2 124.3 -37.1 -27.0 18.0 29 30 A K E -H 43 0C 12 14,-3.3 13,-2.8 -2,-0.4 14,-1.4 -0.783 21.2-172.3 -90.9 115.6 -36.5 -24.7 15.0 30 31 A Y E -H 41 0C 83 -2,-0.6 2,-0.4 11,-0.2 11,-0.2 -0.832 4.3-163.7-103.0 150.3 -38.8 -25.5 12.0 31 32 A E E -H 40 0C 63 9,-2.4 9,-2.8 -2,-0.3 2,-0.3 -0.999 22.1-120.6-132.7 135.8 -38.4 -24.0 8.6 32 33 A A E -H 39 0C 23 -2,-0.4 2,-0.7 7,-0.2 7,-0.2 -0.572 21.3-152.1 -73.0 132.9 -40.9 -24.0 5.8 33 34 A D E >> -H 38 0C 54 5,-2.5 4,-2.5 -2,-0.3 5,-0.9 -0.938 7.8-167.6-107.6 111.4 -39.7 -25.7 2.6 34 35 A K T 45S+ 0 0 135 -2,-0.7 -31,-0.3 1,-0.2 -1,-0.1 0.760 88.6 57.4 -69.6 -25.3 -41.4 -24.2 -0.4 35 36 A A T 45S+ 0 0 89 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.822 119.6 30.1 -70.8 -30.8 -40.1 -27.1 -2.6 36 37 A L T 45S- 0 0 111 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.688 95.9-133.5 -99.5 -24.8 -41.8 -29.7 -0.3 37 38 A G T <5S+ 0 0 17 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.666 73.5 97.5 74.9 19.1 -44.8 -27.7 0.9 38 39 A L E - 0 0 10 -18,-2.0 3,-1.4 -2,-0.5 97,-0.1 -0.432 22.8-143.7 -63.7 121.4 -31.8 -25.3 19.7 46 47 A G T 3 S+ 0 0 40 -2,-0.3 -1,-0.1 1,-0.3 96,-0.1 0.842 97.9 45.9 -58.0 -39.2 -28.6 -26.1 21.6 47 48 A T T 3 S- 0 0 41 94,-0.9 -1,-0.3 2,-0.1 3,-0.1 0.557 104.6-127.0 -77.5 -13.0 -29.4 -23.8 24.6 48 49 A G < + 0 0 38 -3,-1.4 2,-0.2 1,-0.2 -2,-0.1 0.594 56.9 151.9 71.7 11.9 -33.0 -25.1 24.9 49 50 A M - 0 0 47 92,-0.2 2,-0.3 -22,-0.1 -1,-0.2 -0.488 36.2-137.7 -77.7 146.4 -34.2 -21.5 24.8 50 51 A R - 0 0 107 -2,-0.2 -24,-0.1 -3,-0.1 -27,-0.1 -0.778 21.9-102.9-107.2 146.9 -37.7 -20.8 23.4 51 52 A Y - 0 0 3 -2,-0.3 -27,-3.0 -29,-0.2 -26,-0.2 -0.470 27.1-148.6 -61.6 126.7 -38.9 -18.1 21.0 52 53 A P S S+ 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.703 80.2 22.8 -77.6 -16.1 -40.7 -15.6 23.3 53 54 A V S S- 0 0 7 -31,-0.1 21,-0.2 -30,-0.1 -29,-0.2 -0.877 104.7 -73.5-137.0 168.6 -43.1 -14.6 20.5 54 55 A N E - D 0 73B 0 19,-1.4 19,-2.5 -2,-0.3 2,-0.4 -0.365 49.3-156.3 -65.1 146.4 -44.3 -16.4 17.3 55 56 A Y E +CD 21 72B 5 -34,-2.7 -35,-2.8 17,-0.2 -34,-2.4 -0.979 30.1 115.0-131.3 137.7 -41.8 -16.5 14.5 56 57 A G E -CD 19 71B 0 15,-2.5 15,-2.5 -2,-0.4 2,-0.3 -0.808 44.2 -99.5-165.7-150.8 -42.1 -16.9 10.7 57 58 A F E -CD 18 70B 20 -39,-1.9 -39,-2.8 13,-0.3 13,-0.2 -0.970 24.1-106.5-151.3 163.0 -41.6 -15.2 7.4 58 59 A I > - 0 0 0 11,-2.2 3,-0.6 -2,-0.3 11,-0.4 -0.840 41.6-132.0 -93.1 117.9 -43.2 -13.2 4.6 59 60 A P T 3 S+ 0 0 3 0, 0.0 -43,-0.2 0, 0.0 3,-0.1 -0.274 86.5 32.8 -66.6 159.2 -43.6 -15.5 1.5 60 61 A Q T 3 S+ 0 0 61 1,-0.3 2,-0.3 -54,-0.1 112,-0.2 0.819 97.5 113.1 62.0 32.1 -42.5 -14.2 -1.9 61 62 A T < - 0 0 3 -3,-0.6 2,-0.3 111,-0.1 -1,-0.3 -0.938 48.3-164.1-128.4 156.0 -39.7 -12.1 -0.3 62 63 A L - 0 0 63 106,-1.4 109,-0.2 -2,-0.3 110,-0.1 -0.910 13.3-162.6-140.7 110.7 -35.9 -12.4 -0.5 63 64 A S > - 0 0 14 4,-3.3 3,-1.8 -2,-0.3 39,-0.0 -0.241 40.2 -91.0 -85.1 176.8 -33.8 -10.6 2.1 64 65 A G T 3 S+ 0 0 78 1,-0.3 37,-0.1 2,-0.1 38,-0.1 0.702 123.0 60.6 -62.2 -22.4 -30.1 -9.7 1.9 65 66 A D T 3 S- 0 0 32 2,-0.3 -1,-0.3 35,-0.1 37,-0.0 0.377 119.4-104.7 -88.0 3.0 -29.2 -13.0 3.7 66 67 A G S < S+ 0 0 49 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.0 0.392 92.1 93.0 90.3 -2.7 -30.7 -15.1 0.9 67 68 A D S S- 0 0 80 1,-0.1 -4,-3.3 -5,-0.0 -1,-0.3 -0.751 85.7 -84.0-113.4 164.2 -33.9 -16.1 2.9 68 69 A P - 0 0 40 0, 0.0 2,-0.2 0, 0.0 -6,-0.2 -0.210 63.0 -77.2 -59.6 159.1 -37.3 -14.5 3.0 69 70 A V - 0 0 3 -11,-0.4 -11,-2.2 96,-0.1 2,-0.3 -0.423 52.4-134.1 -60.1 126.0 -37.9 -11.6 5.4 70 71 A D E -D 57 0B 16 33,-0.5 35,-2.4 -13,-0.2 2,-0.4 -0.643 22.8-168.6 -88.3 145.9 -38.2 -12.9 9.0 71 72 A V E -De 56 105B 0 -15,-2.5 -15,-2.5 -2,-0.3 2,-0.5 -0.997 20.1-151.4-141.2 133.6 -41.0 -11.7 11.3 72 73 A L E -De 55 106B 0 33,-3.0 35,-2.9 -2,-0.4 2,-0.6 -0.915 21.6-159.1 -94.9 124.9 -41.8 -12.0 15.0 73 74 A V E -De 54 107B 0 -19,-2.5 -19,-1.4 -2,-0.5 2,-0.4 -0.941 5.1-147.5-115.1 117.5 -45.6 -11.8 15.5 74 75 A I + 0 0 19 33,-2.7 -21,-0.1 -2,-0.6 43,-0.1 -0.710 29.7 159.3 -84.4 125.3 -46.9 -10.8 19.0 75 76 A T - 0 0 27 -2,-0.4 -21,-0.1 33,-0.1 4,-0.0 -0.973 50.5-119.8-142.5 157.3 -50.3 -12.5 20.0 76 77 A P S S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.755 104.9 25.4 -68.9 -25.8 -52.2 -13.3 23.2 77 78 A F S S- 0 0 163 -3,-0.0 -54,-0.1 0, 0.0 0, 0.0 -0.987 100.0 -94.4-133.1 146.5 -52.1 -17.0 22.4 78 79 A P - 0 0 77 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.259 40.8-126.2 -60.8 147.9 -49.5 -18.9 20.4 79 80 A L - 0 0 43 -58,-0.1 2,-0.2 1,-0.1 3,-0.0 -0.577 27.8 -94.1 -92.7 154.2 -50.3 -19.5 16.7 80 81 A L > - 0 0 138 -2,-0.2 3,-1.9 1,-0.1 -61,-0.3 -0.461 41.3-110.6 -66.0 132.4 -50.3 -22.8 14.8 81 82 A A T 3 S+ 0 0 45 1,-0.2 -61,-0.2 -2,-0.2 3,-0.1 -0.430 105.5 22.2 -60.6 133.5 -47.1 -23.8 13.0 82 83 A G T 3 S+ 0 0 28 -63,-3.4 -1,-0.2 1,-0.3 2,-0.1 0.389 96.8 122.0 86.0 -3.2 -47.7 -23.6 9.3 83 84 A S < - 0 0 39 -3,-1.9 -64,-2.7 -64,-0.1 2,-0.4 -0.462 58.1-127.7 -83.4 164.0 -50.7 -21.3 9.6 84 85 A V E -B 18 0B 72 -66,-0.2 2,-0.4 -2,-0.1 -66,-0.2 -0.950 21.0-169.0-116.7 133.9 -50.9 -17.9 7.9 85 86 A V E -B 17 0B 12 -68,-2.5 -68,-2.3 -2,-0.4 2,-0.4 -0.985 23.2-128.8-125.9 132.9 -51.7 -14.6 9.6 86 87 A R E +B 16 0B 83 -2,-0.4 24,-2.6 -70,-0.2 2,-0.3 -0.697 46.3 177.1 -75.3 125.9 -52.5 -11.2 8.1 87 88 A A E -BF 15 109B 1 -72,-3.3 -72,-1.9 -2,-0.4 2,-0.3 -0.798 30.9-149.1-137.3 166.5 -50.2 -8.8 9.9 88 89 A R E - F 0 108B 45 20,-2.7 20,-2.2 -2,-0.3 2,-0.2 -0.971 31.8-106.1-137.4 152.8 -48.9 -5.2 10.3 89 90 A A E + F 0 107B 5 -76,-0.4 18,-0.3 -2,-0.3 69,-0.1 -0.515 27.9 174.1 -87.8 145.5 -45.5 -3.9 11.3 90 91 A L E - 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