==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JUN-06 2DSC . COMPND 2 MOLECULE: ADP-SUGAR PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.ZHA,C.ZHONG,J.DING . 390 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 25.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 36 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 0 0 0 0 0 2 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 . 0 4 2 2 2 2 0 2 2 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 . 0 0 2 0 0 0 0 0 2 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 14 A K 0 0 163 0, 0.0 2,-0.3 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 -56.1 -26.6 37.7 67.1 2 15 A Q + 0 0 22 21,-0.0 2,-0.3 26,-0.0 23,-0.2 -0.704 360.0 167.2 -98.5 152.4 -24.4 35.9 69.6 3 16 A Y E -A 24 0A 121 21,-0.9 21,-2.3 -2,-0.3 2,-0.2 -0.995 38.2 -90.3-161.8 158.6 -20.8 36.9 70.4 4 17 A I E -A 23 0A 47 -2,-0.3 19,-0.3 267,-0.3 3,-0.1 -0.490 26.4-177.6 -73.0 137.0 -17.9 36.5 72.7 5 18 A I E - 0 0 81 17,-3.6 2,-0.3 1,-0.4 18,-0.2 0.760 67.2 -26.0-100.8 -40.1 -17.6 38.9 75.6 6 19 A S E -A 22 0A 55 16,-1.7 16,-2.7 2,-0.0 2,-0.5 -0.969 45.4-139.9-171.6 157.7 -14.4 37.6 77.0 7 20 A E E -A 21 0A 95 -2,-0.3 2,-0.6 14,-0.2 14,-0.2 -0.959 20.0-165.8-129.8 110.4 -12.0 34.6 77.3 8 21 A E E -A 20 0A 121 12,-2.8 12,-3.0 -2,-0.5 2,-0.3 -0.871 22.7-124.0-103.2 122.1 -10.3 34.0 80.6 9 22 A L E +A 19 0A 85 -2,-0.6 10,-0.3 10,-0.2 3,-0.1 -0.444 30.7 174.7 -65.5 121.7 -7.4 31.6 80.8 10 23 A I E - 0 0 68 8,-2.9 2,-0.3 1,-0.4 9,-0.2 0.907 67.0 -11.6 -89.5 -60.1 -8.0 28.9 83.4 11 24 A S E -A 18 0A 21 7,-1.6 7,-3.1 196,-0.1 -1,-0.4 -0.987 60.7-162.0-143.6 149.5 -5.0 26.7 82.9 12 25 A E E -A 17 0A 109 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.972 7.0-179.6-141.6 125.3 -2.3 26.5 80.2 13 26 A G - 0 0 20 3,-3.1 203,-0.0 -2,-0.4 217,-0.0 -0.205 50.2 -88.1-101.8-163.5 0.2 23.7 79.4 14 27 A K S S+ 0 0 149 -2,-0.1 3,-0.1 1,-0.1 24,-0.0 0.700 123.4 12.3 -82.5 -18.8 2.9 23.6 76.8 15 28 A W S S+ 0 0 111 1,-0.3 24,-2.7 24,-0.1 25,-0.6 0.654 127.0 38.5-125.9 -34.4 0.5 22.3 74.1 16 29 A V E - B 0 38A 3 22,-0.3 -3,-3.1 23,-0.1 2,-0.3 -0.924 57.4-170.1-126.7 150.4 -3.1 22.7 75.4 17 30 A K E -AB 12 37A 45 20,-2.9 20,-2.4 -2,-0.3 2,-0.4 -0.976 14.1-141.8-139.3 153.1 -5.0 25.3 77.4 18 31 A L E -AB 11 36A 2 -7,-3.1 -8,-2.9 -2,-0.3 -7,-1.6 -0.940 23.2-176.6-115.7 132.6 -8.4 25.6 79.1 19 32 A E E -AB 9 35A 14 16,-3.1 16,-2.2 -2,-0.4 2,-0.6 -0.884 27.6-127.0-128.5 160.9 -10.3 28.9 79.1 20 33 A K E -AB 8 34A 84 -12,-3.0 -12,-2.8 -2,-0.3 2,-0.5 -0.938 29.8-157.3-106.5 115.2 -13.6 30.3 80.5 21 34 A T E -AB 7 33A 0 12,-3.8 12,-2.0 -2,-0.6 2,-0.5 -0.830 8.7-168.0-101.2 127.4 -15.7 31.8 77.7 22 35 A T E +AB 6 32A 25 -16,-2.7 -17,-3.6 -2,-0.5 -16,-1.7 -0.947 20.2 161.0-111.0 129.4 -18.3 34.4 78.4 23 36 A Y E -AB 4 31A 14 8,-2.5 8,-2.9 -2,-0.5 2,-0.5 -0.945 37.8-112.4-144.5 164.2 -20.7 35.2 75.6 24 37 A M E -AB 3 30A 30 -21,-2.3 -21,-0.9 -2,-0.3 6,-0.2 -0.852 27.1-147.9-101.7 132.7 -24.1 36.7 75.0 25 38 A D > - 0 0 0 4,-2.5 3,-2.2 -2,-0.5 -22,-0.0 -0.414 39.1 -88.1 -88.8 172.9 -27.0 34.5 73.8 26 39 A P T 3 S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.768 126.2 57.0 -50.4 -32.6 -29.8 35.8 71.5 27 40 A T T 3 S- 0 0 103 2,-0.1 3,-0.1 1,-0.0 -3,-0.0 0.591 119.4-107.1 -78.7 -10.6 -31.9 37.0 74.5 28 41 A G S < S+ 0 0 44 -3,-2.2 2,-0.2 1,-0.3 -1,-0.0 0.411 74.5 139.9 98.7 -1.7 -29.1 39.3 75.7 29 42 A K - 0 0 123 1,-0.1 -4,-2.5 -5,-0.0 2,-0.5 -0.542 53.9-122.5 -79.2 140.4 -28.3 37.0 78.6 30 43 A T E +B 24 0A 77 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.711 37.3 173.6 -84.8 126.5 -24.7 36.4 79.6 31 44 A R E -B 23 0A 67 -8,-2.9 -8,-2.5 -2,-0.5 2,-0.3 -0.835 17.7-137.7-128.1 166.3 -23.7 32.7 79.6 32 45 A T E -B 22 0A 79 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.844 13.0-172.6-126.0 164.0 -20.4 30.9 80.1 33 46 A W E -B 21 0A 83 -12,-2.0 -12,-3.8 -2,-0.3 2,-0.7 -0.992 25.6-126.8-153.4 149.1 -18.5 28.0 78.5 34 47 A E E -B 20 0A 33 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.897 38.2-171.6-102.0 111.9 -15.4 25.9 79.2 35 48 A S E -B 19 0A 0 -16,-2.2 -16,-3.1 -2,-0.7 2,-0.4 -0.773 16.7-146.2-110.8 151.9 -13.3 26.0 76.1 36 49 A V E +Bc 18 124A 2 87,-2.2 89,-1.5 -2,-0.3 2,-0.3 -0.907 20.0 174.1-114.2 140.0 -10.2 24.1 75.0 37 50 A K E -B 17 0A 19 -20,-2.4 -20,-2.9 -2,-0.4 2,-0.3 -0.992 31.1-119.8-144.2 147.5 -7.5 25.6 72.7 38 51 A R E > -B 16 0A 33 -2,-0.3 3,-0.6 -22,-0.2 -22,-0.3 -0.664 15.9-144.6 -84.9 144.8 -4.1 24.4 71.5 39 52 A T T 3 S+ 0 0 41 -24,-2.7 -23,-0.1 -2,-0.3 -1,-0.1 0.644 92.2 66.9 -83.0 -14.6 -1.2 26.7 72.5 40 53 A T T 3 + 0 0 55 -25,-0.6 2,-0.5 2,-0.0 -1,-0.2 0.307 66.9 128.3 -90.3 8.2 0.7 26.1 69.2 41 54 A R < - 0 0 90 -3,-0.6 2,-0.1 1,-0.0 6,-0.1 -0.533 49.9-144.3 -74.1 119.8 -1.8 27.8 66.9 42 55 A K > - 0 0 11 -2,-0.5 3,-1.1 4,-0.3 2,-0.1 -0.432 32.8 -90.9 -76.4 154.2 -0.2 30.4 64.6 43 56 A E T 3 S+ 0 0 168 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.443 106.8 10.1 -70.6 139.0 -2.2 33.5 63.7 44 57 A Q T 3 S+ 0 0 197 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.723 110.7 96.5 68.0 25.8 -4.4 33.3 60.6 45 58 A T S < S- 0 0 35 -3,-1.1 -1,-0.2 46,-0.0 82,-0.1 -1.000 74.6-112.4-148.1 142.7 -3.9 29.6 60.1 46 59 A A - 0 0 3 -2,-0.3 -4,-0.3 1,-0.1 40,-0.2 -0.178 37.8-110.0 -63.1 165.5 -5.8 26.4 61.0 47 60 A D S S- 0 0 7 80,-1.0 39,-2.6 -6,-0.1 2,-0.2 0.933 81.7 -37.6 -65.6 -46.1 -4.2 24.1 63.6 48 61 A G E -De 85 128B 2 79,-1.5 81,-1.6 37,-0.3 2,-0.3 -0.802 56.2 -99.2-156.8-162.9 -3.3 21.4 61.1 49 62 A V E -De 84 129B 1 35,-2.3 35,-1.8 79,-0.3 2,-0.4 -0.969 12.8-152.9-136.2 151.1 -4.2 19.3 58.1 50 63 A A E -De 83 130B 1 79,-2.2 81,-2.7 -2,-0.3 2,-0.5 -0.985 22.3-143.0-121.2 133.4 -5.6 15.8 57.5 51 64 A V E - e 0 131B 0 31,-3.4 81,-0.2 -2,-0.4 79,-0.1 -0.870 10.0-157.2-106.0 128.8 -4.6 14.2 54.3 52 65 A I E - e 0 132B 0 79,-2.4 81,-2.7 -2,-0.5 2,-0.7 -0.865 21.9-161.4-101.1 97.2 -6.9 12.1 52.2 53 66 A P E - e 0 133B 0 0, 0.0 12,-2.1 0, 0.0 2,-0.9 -0.732 4.9-163.0 -85.3 110.0 -4.3 10.0 50.2 54 67 A V E -Fe 64 134B 9 79,-3.7 81,-2.9 -2,-0.7 2,-0.7 -0.820 6.1-154.8 -99.4 105.2 -5.7 8.4 47.1 55 68 A L E -Fe 63 135B 9 8,-2.4 8,-1.7 -2,-0.9 2,-0.5 -0.682 14.0-166.3 -79.6 113.4 -3.4 5.7 45.9 56 69 A Q E + e 0 136B 75 79,-3.0 81,-2.3 -2,-0.7 82,-0.6 -0.898 13.0 168.0-110.9 126.2 -4.0 5.2 42.1 57 70 A R > - 0 0 73 -2,-0.5 3,-1.1 3,-0.5 79,-0.0 -0.988 38.2-127.7-135.2 144.6 -2.7 2.2 40.2 58 71 A T T 3 S+ 0 0 115 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.833 108.5 40.3 -58.8 -38.6 -3.5 1.0 36.6 59 72 A L T 3 S+ 0 0 144 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.364 114.2 57.0 -95.1 5.2 -4.3 -2.6 37.6 60 73 A H S < S- 0 0 102 -3,-1.1 -3,-0.5 3,-0.0 2,-0.1 -0.920 80.5-108.7-137.2 160.8 -6.2 -1.8 40.8 61 74 A Y - 0 0 183 -2,-0.3 -2,-0.1 1,-0.2 -6,-0.0 -0.458 62.7 -78.9 -76.5 159.4 -9.2 0.1 42.2 62 75 A E - 0 0 52 -2,-0.1 100,-2.2 99,-0.1 101,-0.5 -0.185 44.7-152.1 -62.4 152.6 -8.1 3.1 44.3 63 76 A C E -FG 55 161B 15 -8,-1.7 -8,-2.4 98,-0.3 2,-0.5 -0.893 9.5-135.1-122.8 153.7 -6.9 2.7 47.9 64 77 A I E -FG 54 160B 0 96,-3.1 96,-2.5 -2,-0.3 2,-0.6 -0.952 20.6-138.2-109.0 127.3 -7.1 5.2 50.8 65 78 A V E + G 0 159B 0 -12,-2.1 2,-0.3 -2,-0.5 94,-0.2 -0.775 30.6 171.1 -91.0 122.0 -3.9 5.4 52.8 66 79 A L E - G 0 158B 0 92,-2.5 92,-3.2 -2,-0.6 2,-0.3 -0.762 21.1-137.4-122.7 168.2 -4.4 5.6 56.5 67 80 A V E -HG 80 157B 0 13,-2.6 13,-2.6 -2,-0.3 2,-0.4 -0.944 4.4-152.5-128.6 152.1 -2.2 5.5 59.5 68 81 A K E +HG 79 156B 28 88,-2.7 88,-2.8 -2,-0.3 2,-0.3 -0.990 28.2 149.9-125.1 130.5 -2.5 3.7 62.9 69 82 A Q E -H 78 0B 21 9,-1.6 9,-2.4 -2,-0.4 2,-0.3 -0.981 49.3 -92.3-155.3 161.3 -0.8 5.0 66.0 70 83 A F E -H 77 0B 15 84,-0.4 7,-0.3 -2,-0.3 84,-0.1 -0.627 34.9-161.1 -78.7 131.8 -1.1 5.1 69.8 71 84 A R E >>> -H 76 0B 32 5,-3.1 3,-1.5 -2,-0.3 5,-1.1 -0.927 7.5-156.1-119.1 105.4 -2.9 8.2 70.9 72 85 A P G >45S+ 0 0 2 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.858 92.6 57.4 -46.5 -46.2 -2.3 9.0 74.6 73 86 A P G 345S+ 0 0 2 0, 0.0 245,-0.1 0, 0.0 158,-0.1 0.829 114.1 41.0 -57.7 -28.9 -5.6 11.0 75.0 74 87 A M G <45S- 0 0 32 -3,-1.5 3,-0.1 243,-0.4 247,-0.1 0.564 101.9-135.1 -93.1 -12.6 -7.5 8.0 73.8 75 88 A G T <<5S+ 0 0 40 -4,-1.1 2,-0.3 -3,-0.9 125,-0.2 0.849 78.0 46.9 60.0 34.0 -5.4 5.5 75.8 76 89 A G E - 0 0 92 -2,-0.4 3,-1.8 4,-0.1 2,-0.1 -0.384 41.3 -83.1 -70.0 151.9 4.3 24.9 60.7 88 101 A D T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.347 115.4 6.8 -60.5 128.6 4.4 28.7 60.9 89 102 A G T 3 S+ 0 0 86 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.286 100.2 129.3 82.5 -11.1 4.3 30.3 57.4 90 103 A E < - 0 0 43 -3,-1.8 -1,-0.3 1,-0.1 -4,-0.0 -0.593 59.8-122.9 -81.0 135.0 3.7 26.8 55.9 91 104 A T > - 0 0 63 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.422 18.5-119.6 -74.7 150.0 0.8 26.5 53.5 92 105 A P H > S+ 0 0 28 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.914 116.5 52.0 -55.4 -41.6 -1.9 23.9 54.2 93 106 A E H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.883 111.5 45.0 -62.5 -40.2 -1.0 22.2 50.9 94 107 A A H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.866 111.2 52.1 -73.2 -37.3 2.7 22.0 51.7 95 108 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.922 111.4 49.9 -63.1 -40.7 2.1 20.8 55.3 96 109 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.927 112.4 43.7 -62.9 -50.7 -0.1 18.1 53.8 97 110 A L H X S+ 0 0 56 -4,-2.1 4,-1.9 2,-0.2 11,-0.2 0.895 117.5 46.9 -63.7 -40.7 2.4 16.9 51.1 98 111 A R H X S+ 0 0 52 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.951 113.1 48.0 -64.7 -51.4 5.3 17.0 53.7 99 112 A E H X S+ 0 0 13 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.888 111.1 50.9 -58.0 -43.5 3.3 15.2 56.4 100 113 A L H X>S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 5,-0.7 0.911 112.7 45.9 -62.5 -43.5 2.1 12.5 53.9 101 114 A E H X5S+ 0 0 73 -4,-1.9 4,-1.7 4,-0.2 -2,-0.2 0.919 114.1 48.5 -66.0 -43.8 5.7 11.8 52.8 102 115 A E H <5S+ 0 0 68 -4,-2.7 46,-2.3 1,-0.2 -2,-0.2 0.906 118.4 38.6 -63.4 -43.3 7.1 11.8 56.3 103 116 A E H <5S+ 0 0 4 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.741 137.6 12.0 -82.4 -23.9 4.5 9.4 57.7 104 117 A T H <5S- 0 0 3 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.581 89.5-122.8-127.6 -20.8 4.1 7.1 54.7 105 118 A G << + 0 0 15 -4,-1.7 41,-0.4 -5,-0.7 2,-0.2 0.379 66.4 133.9 89.4 -5.5 7.0 7.8 52.4 106 119 A Y - 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