==== 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 ACID ANHYDRIDE HYDROLASE 03-OCT-95 1INO . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.YU.OGANESYAN,S.M.AVAEVA,E.H.HARUTYUNYAN . 175 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 62.9 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 . 43 24.6 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 . 1 0.6 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 . 15 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 1 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 1 1 2 1 2 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 . 1 0 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 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 1 A S > 0 0 102 0, 0.0 3,-1.4 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0-170.7 2.0 59.7 40.9 2 2 A L T 3 + 0 0 28 1,-0.2 3,-0.4 35,-0.2 35,-0.1 0.472 360.0 61.9 -69.3 -8.5 5.1 59.1 38.7 3 3 A L T 3 S+ 0 0 52 1,-0.2 -1,-0.2 33,-0.1 34,-0.1 0.470 102.3 52.5 -95.7 -7.1 7.5 59.5 41.7 4 4 A N S < S+ 0 0 116 -3,-1.4 -1,-0.2 2,-0.0 -2,-0.2 0.147 79.0 123.8-110.0 9.1 5.9 56.5 43.5 5 5 A V - 0 0 21 -3,-0.4 13,-0.1 1,-0.1 11,-0.1 -0.578 66.3-117.0 -76.3 133.9 6.3 54.1 40.4 6 6 A P - 0 0 64 0, 0.0 53,-0.4 0, 0.0 3,-0.1 -0.005 15.1-119.5 -58.9 174.3 8.2 51.0 41.4 7 7 A A S S- 0 0 8 1,-0.4 9,-3.1 51,-0.1 2,-0.3 0.836 81.6 -50.3 -83.5 -36.8 11.6 50.3 39.8 8 8 A G - 0 0 17 7,-0.4 -1,-0.4 1,-0.1 3,-0.3 -0.956 47.1 -99.9 174.4 169.6 10.1 47.0 38.5 9 9 A K S S+ 0 0 133 -2,-0.3 2,-0.3 5,-0.2 6,-0.2 0.936 114.1 8.0 -75.3 -43.3 8.2 43.9 39.4 10 10 A D B >> S-A 14 0A 91 4,-2.0 4,-1.9 -3,-0.1 3,-1.2 -0.672 98.6-110.9-146.1 90.2 11.3 41.8 39.6 11 11 A L T 34 S+ 0 0 46 -3,-0.3 4,-0.1 1,-0.3 -3,-0.1 -0.385 86.7 7.7 -63.9 139.9 14.6 43.5 39.3 12 12 A P T 34 S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.960 132.1 37.6-102.4 14.7 16.5 43.4 37.2 13 13 A E T <4 S+ 0 0 71 -3,-1.2 2,-0.4 1,-0.3 -2,-0.2 0.672 117.5 44.8 -96.6 -12.4 14.7 41.4 34.5 14 14 A D B < S+A 10 0A 15 -4,-1.9 -4,-2.0 74,-0.1 2,-0.3 -0.902 80.4 156.0-131.5 95.5 11.2 42.8 34.9 15 15 A I E -B 87 0B 0 72,-1.7 72,-2.5 -2,-0.4 2,-0.4 -0.816 39.2-124.9-121.9 161.7 11.5 46.7 35.3 16 16 A Y E -B 86 0B 51 -9,-3.1 2,-0.5 -2,-0.3 43,-0.3 -0.902 20.0-159.5-103.2 139.5 9.2 49.7 34.8 17 17 A V E -B 85 0B 0 68,-2.8 68,-2.5 -2,-0.4 2,-0.6 -0.989 9.8-144.9-121.6 125.9 10.4 52.5 32.5 18 18 A V E -BC 84 57B 0 39,-3.1 39,-1.6 -2,-0.5 2,-0.3 -0.758 22.8-136.3 -87.5 121.0 8.8 56.0 32.8 19 19 A I E + C 0 56B 0 64,-2.9 63,-2.5 -2,-0.6 37,-0.3 -0.633 34.9 163.5 -81.9 135.1 8.7 57.5 29.2 20 20 A E E S+ 0 0 7 35,-2.5 36,-0.2 -2,-0.3 -1,-0.2 0.591 71.4 31.6-115.7 -33.4 9.8 61.1 28.9 21 21 A I E S- C 0 55B 0 34,-2.4 34,-3.4 59,-0.1 -1,-0.3 -0.944 77.0-140.7-136.2 116.8 10.3 61.3 25.2 22 22 A P > - 0 0 20 0, 0.0 3,-0.9 0, 0.0 29,-0.2 -0.034 32.0 -90.0 -69.2 164.4 8.4 59.3 22.6 23 23 A A T 3 S+ 0 0 14 1,-0.2 31,-0.1 56,-0.1 30,-0.1 -0.403 106.0 10.0 -73.3 152.1 9.8 57.7 19.4 24 24 A N T 3 S+ 0 0 110 27,-1.8 -1,-0.2 1,-0.2 2,-0.2 0.796 93.4 145.5 50.7 32.7 9.8 59.8 16.3 25 25 A A < - 0 0 26 -3,-0.9 26,-0.4 26,-0.2 -1,-0.2 -0.608 58.5 -82.5 -98.1 154.6 8.9 63.0 18.0 26 26 A D - 0 0 122 -2,-0.2 2,-2.8 1,-0.2 -1,-0.2 -0.104 62.3 -86.2 -52.2 152.8 10.0 66.6 17.2 27 27 A P S S+ 0 0 45 0, 0.0 18,-3.5 0, 0.0 2,-0.5 -0.125 82.0 131.5 -63.4 56.8 13.3 67.4 18.7 28 28 A I E -I 44 0C 41 -2,-2.8 2,-0.6 16,-0.3 16,-0.2 -0.961 47.6-145.2-113.0 117.9 12.1 68.5 22.3 29 29 A K E -I 43 0C 41 14,-2.2 13,-4.0 -2,-0.5 14,-1.3 -0.789 21.4-175.7 -92.6 121.0 13.9 67.1 25.3 30 30 A Y E -I 41 0C 64 -2,-0.6 2,-0.3 11,-0.2 11,-0.2 -0.750 6.5-178.1-109.5 155.9 11.6 66.5 28.3 31 31 A E E -I 40 0C 57 9,-1.6 9,-2.7 -2,-0.3 2,-0.4 -0.978 31.1-114.4-154.6 141.4 12.5 65.3 31.8 32 32 A I E -I 39 0C 1 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.676 32.9-124.9 -82.8 132.5 10.3 64.5 34.8 33 33 A D >> - 0 0 31 5,-3.2 4,-3.0 -2,-0.4 3,-0.5 -0.710 13.4-150.0 -78.9 112.1 11.1 67.0 37.6 34 34 A K T 34 S+ 0 0 82 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.0 0.697 93.2 58.4 -56.7 -20.5 12.0 64.7 40.5 35 35 A E T 34 S+ 0 0 173 3,-0.1 -1,-0.2 1,-0.1 -32,-0.0 0.915 126.6 8.5 -80.0 -47.8 10.7 67.4 42.9 36 36 A S T <4 S- 0 0 72 -3,-0.5 -2,-0.2 2,-0.2 -33,-0.1 0.727 91.9-118.3-110.3 -26.2 7.0 67.7 41.5 37 37 A G < + 0 0 19 -4,-3.0 2,-0.2 1,-0.3 -35,-0.2 0.515 68.0 140.2 96.8 7.4 6.5 64.7 39.0 38 38 A A - 0 0 41 -5,-0.4 -5,-3.2 -6,-0.1 2,-0.5 -0.522 59.7-117.6 -84.5 144.6 5.9 67.2 36.2 39 39 A L E -I 32 0C 65 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.763 38.7-167.9 -80.4 125.8 7.2 66.8 32.7 40 40 A F E -I 31 0C 99 -9,-2.7 -9,-1.6 -2,-0.5 2,-0.3 -0.937 25.6-115.7-120.5 143.9 9.5 69.8 32.1 41 41 A V E -I 30 0C 73 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.622 28.5-176.1 -76.3 136.4 11.0 71.0 28.9 42 42 A D E - 0 0 73 -13,-4.0 2,-0.3 1,-0.4 -12,-0.2 0.812 60.9 -37.7 -98.1 -45.6 14.8 70.6 29.2 43 43 A R E -I 29 0C 85 -14,-1.3 -14,-2.2 2,-0.0 2,-0.5 -0.953 49.8-111.5-171.3 162.8 15.8 72.2 25.9 44 44 A F E -I 28 0C 140 -2,-0.3 -16,-0.3 -16,-0.2 2,-0.2 -0.943 43.6-125.9 -99.1 126.5 14.7 72.4 22.2 45 45 A M - 0 0 20 -18,-3.5 97,-0.1 -2,-0.5 4,-0.1 -0.557 12.0-152.9 -72.6 142.8 17.4 70.5 20.3 46 46 A S + 0 0 71 95,-0.2 -1,-0.1 -2,-0.2 96,-0.1 0.798 68.4 90.7 -83.3 -26.2 18.9 72.6 17.5 47 47 A T S S- 0 0 19 94,-0.5 2,-1.4 1,-0.1 -2,-0.1 -0.304 84.7-120.5 -68.2 150.4 19.8 69.6 15.4 48 48 A A S S+ 0 0 108 -22,-0.0 2,-0.3 -2,-0.0 -1,-0.1 -0.412 77.8 109.6 -85.9 57.4 17.5 68.1 12.7 49 49 A M - 0 0 36 -2,-1.4 2,-0.3 92,-0.1 -4,-0.1 -0.926 50.2-156.8-132.3 157.2 17.4 64.7 14.5 50 50 A F - 0 0 96 -2,-0.3 -24,-0.1 -23,-0.1 -27,-0.1 -0.921 36.1 -86.5-134.4 159.6 14.8 62.8 16.5 51 51 A Y - 0 0 0 -26,-0.4 -27,-1.8 -2,-0.3 -26,-0.2 -0.491 31.8-151.6 -66.1 132.9 14.9 60.1 19.1 52 52 A P S S+ 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.700 78.8 16.3 -77.4 -23.7 15.0 56.7 17.3 53 53 A C S S- 0 0 3 -31,-0.1 -29,-0.1 21,-0.1 2,-0.0 -0.907 101.8 -77.0-141.8 161.8 13.2 54.9 20.2 54 54 A N E - D 0 73B 0 19,-1.3 19,-2.8 -2,-0.3 2,-0.4 -0.368 50.7-150.2 -62.9 141.7 11.1 56.0 23.2 55 55 A Y E +CD 21 72B 12 -34,-3.4 -35,-2.5 17,-0.2 -34,-2.4 -0.980 33.4 119.2-125.2 137.6 13.4 57.4 25.9 56 56 A G E -CD 19 71B 0 15,-2.9 15,-2.5 -2,-0.4 2,-0.3 -0.756 43.5 -98.6-163.2-152.5 12.9 57.3 29.7 57 57 A Y E -CD 18 70B 3 -39,-1.6 -39,-3.1 13,-0.2 2,-0.6 -0.930 21.1-114.5-147.4 166.4 14.2 56.1 33.0 58 58 A I - 0 0 0 11,-1.4 11,-0.5 -2,-0.3 3,-0.5 -0.907 42.8-129.2 -98.5 117.9 13.9 53.5 35.7 59 59 A N S S+ 0 0 16 -2,-0.6 -43,-0.1 -53,-0.4 3,-0.1 -0.325 85.2 29.2 -71.5 149.9 12.7 55.2 38.9 60 60 A H S S+ 0 0 89 1,-0.3 2,-0.3 -53,-0.1 112,-0.2 0.857 97.6 112.3 70.8 37.4 14.4 54.7 42.3 61 61 A T - 0 0 6 -3,-0.5 2,-0.4 111,-0.1 -1,-0.3 -0.943 48.7-163.8-135.5 150.5 17.8 54.2 40.6 62 62 A L - 0 0 56 106,-1.8 109,-0.2 -2,-0.3 5,-0.1 -0.897 11.2-171.7-140.2 106.2 20.9 56.3 40.6 63 63 A S - 0 0 11 4,-2.5 3,-0.2 -2,-0.4 39,-0.1 0.026 48.1 -80.5 -83.2-156.8 23.5 55.6 37.9 64 64 A L S S+ 0 0 107 1,-0.2 38,-0.1 37,-0.1 37,-0.1 0.850 122.4 62.2 -77.9 -32.3 26.9 57.2 37.8 65 65 A D S S- 0 0 35 36,-0.3 -1,-0.2 2,-0.2 37,-0.1 0.793 116.6-100.6 -69.4 -29.3 25.8 60.5 36.2 66 66 A G S S+ 0 0 49 1,-0.6 -1,-0.1 -3,-0.2 -2,-0.1 -0.066 93.7 83.8 136.3 -30.0 23.5 61.6 39.1 67 67 A D S S- 0 0 81 1,-0.2 -4,-2.5 -5,-0.1 -1,-0.6 -0.528 88.4 -78.4-101.8 163.7 20.2 60.6 37.5 68 68 A P - 0 0 14 0, 0.0 -1,-0.2 0, 0.0 -6,-0.1 -0.088 68.2 -74.8 -56.0 161.9 18.2 57.4 37.2 69 69 A V - 0 0 3 -11,-0.5 -11,-1.4 96,-0.1 2,-0.4 -0.426 50.6-128.6 -65.6 141.9 19.3 54.9 34.6 70 70 A D E -De 57 104B 15 33,-0.7 35,-2.6 -13,-0.2 2,-0.4 -0.786 27.3-167.3 -92.6 124.2 18.3 56.1 31.1 71 71 A V E -De 56 105B 0 -15,-2.5 -15,-2.9 -2,-0.4 2,-0.4 -0.972 15.4-156.1-123.9 138.7 16.4 53.5 29.0 72 72 A L E -De 55 106B 0 33,-2.0 35,-2.5 -2,-0.4 -17,-0.2 -0.928 16.3-166.0-109.2 129.4 15.6 53.5 25.3 73 73 A V E -D 54 0B 0 -19,-2.8 -19,-1.3 -2,-0.4 2,-0.2 -0.891 9.6-151.3-126.1 106.0 12.5 51.3 24.5 74 74 A P + 0 0 13 0, 0.0 -21,-0.1 0, 0.0 3,-0.1 -0.472 27.6 170.2 -72.2 138.9 11.7 50.3 20.9 75 75 A T - 0 0 27 -2,-0.2 -2,-0.0 1,-0.1 33,-0.0 -0.951 46.1-113.2-144.4 163.6 7.9 49.8 20.4 76 76 A P S S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.928 104.2 16.0 -65.7 -42.9 5.5 49.2 17.5 77 77 A Y S S- 0 0 187 -3,-0.1 -54,-0.1 0, 0.0 0, 0.0 -0.980 99.8 -88.3-131.1 140.3 3.8 52.7 17.9 78 78 A P - 0 0 83 0, 0.0 2,-0.1 0, 0.0 -54,-0.0 -0.181 42.2-136.8 -52.4 135.5 5.1 55.7 19.9 79 79 A L - 0 0 47 -58,-0.1 -56,-0.1 1,-0.1 6,-0.0 -0.323 23.4 -96.8 -87.2 172.0 4.1 55.9 23.6 80 80 A Q > - 0 0 139 -58,-0.1 3,-2.0 -2,-0.1 2,-0.3 -0.747 36.6-103.0 -94.4 149.1 2.9 58.9 25.6 81 81 A P T 3 S+ 0 0 47 0, 0.0 -61,-0.2 0, 0.0 3,-0.1 -0.485 109.2 23.3 -74.6 127.0 5.0 61.1 27.7 82 82 A G T 3 S+ 0 0 24 -63,-2.5 2,-0.1 1,-0.4 -62,-0.1 0.107 95.2 122.5 107.7 -12.5 4.5 60.3 31.3 83 83 A S < - 0 0 39 -3,-2.0 -64,-2.9 -65,-0.1 -1,-0.4 -0.394 57.6-130.6 -78.4 153.3 3.3 56.8 30.6 84 84 A V E -B 18 0B 58 -66,-0.2 2,-0.3 -2,-0.1 -66,-0.2 -0.894 16.9-160.4-108.0 136.7 5.0 53.8 32.2 85 85 A I E -B 17 0B 9 -68,-2.5 -68,-2.8 -2,-0.4 2,-0.7 -0.910 16.3-133.3-119.5 146.8 6.1 50.7 30.2 86 86 A R E +B 16 0B 50 -2,-0.3 24,-2.7 -70,-0.2 -70,-0.2 -0.882 42.8 169.1 -96.4 109.7 6.9 47.1 31.6 87 87 A C E -BF 15 109B 0 -72,-2.5 -72,-1.7 -2,-0.7 24,-0.1 -0.616 38.4-136.9-120.3-179.0 10.2 46.0 30.0 88 88 A R E - F 0 108B 30 20,-1.5 20,-2.2 -74,-0.2 -75,-0.1 -0.975 33.8-122.3-135.1 117.2 13.0 43.5 30.0 89 89 A P E + F 0 107B 2 0, 0.0 18,-0.3 0, 0.0 3,-0.1 -0.363 34.5 169.4 -62.6 141.1 16.6 44.9 29.6 90 90 A V E - 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