==== 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 2DSD . 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) . 17079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 69.5 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 . 97 24.9 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 . 0 0.0 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 . 39 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 16.4 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 2 2 2 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 3 5 0 2 2 2 0 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 0 159 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 18.7 -27.3 36.0 67.4 2 15 A Q - 0 0 14 25,-0.0 2,-0.3 26,-0.0 23,-0.2 -0.997 360.0-177.4-130.5 125.1 -25.2 34.1 69.9 3 16 A Y E -A 24 0A 153 21,-0.6 21,-2.7 -2,-0.4 2,-0.4 -0.932 30.3-112.3-129.4 151.2 -21.9 35.5 71.0 4 17 A I E -A 23 0A 52 -2,-0.3 19,-0.3 19,-0.2 3,-0.1 -0.638 25.6-172.5 -77.5 129.7 -19.0 34.5 73.3 5 18 A I E - 0 0 96 17,-3.0 2,-0.3 -2,-0.4 18,-0.2 0.895 60.0 -22.5 -90.3 -47.7 -18.7 36.8 76.3 6 19 A S E -A 22 0A 59 16,-1.5 16,-2.9 2,-0.0 2,-0.4 -0.988 44.2-137.9-160.8 163.4 -15.5 35.6 77.9 7 20 A E E -A 21 0A 91 -2,-0.3 2,-0.7 14,-0.2 14,-0.2 -0.829 19.3-168.5-132.6 93.8 -13.0 32.7 78.3 8 21 A E E -A 20 0A 123 12,-1.7 12,-3.2 -2,-0.4 -2,-0.0 -0.748 23.6-127.7 -87.4 115.7 -11.8 32.1 81.8 9 22 A L E +A 19 0A 80 -2,-0.7 10,-0.2 10,-0.2 3,-0.1 -0.144 28.2 177.1 -59.5 152.2 -8.8 29.7 81.8 10 23 A I E - 0 0 71 8,-2.0 2,-0.3 1,-0.5 9,-0.2 0.611 61.4 -8.2-126.4 -39.1 -8.9 26.6 84.1 11 24 A S E -A 18 0A 21 7,-2.0 7,-1.1 196,-0.1 -1,-0.5 -0.953 55.1-151.5-154.8 171.9 -5.7 24.6 83.4 12 25 A E + 0 0 108 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.852 14.2 166.0-141.8 175.5 -2.7 24.4 81.1 13 26 A G - 0 0 26 -2,-0.3 -2,-0.0 1,-0.1 4,-0.0 -0.982 50.7 -82.7-174.8-179.5 -0.2 21.9 79.7 14 27 A K S S+ 0 0 170 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.755 123.6 2.5 -73.2 -26.1 2.5 21.0 77.2 15 28 A W S S+ 0 0 117 1,-0.3 24,-1.4 23,-0.1 25,-0.3 0.587 128.6 41.6-131.0 -27.8 -0.0 20.2 74.5 16 29 A V E - B 0 38A 4 22,-0.2 2,-0.3 23,-0.1 -1,-0.3 -0.877 52.0-173.7-128.6 157.0 -3.5 20.8 75.8 17 30 A K E - B 0 37A 56 20,-2.5 20,-2.3 -2,-0.3 2,-0.4 -0.958 12.6-145.6-144.1 158.7 -5.4 23.4 77.9 18 31 A L E +AB 11 36A 2 -7,-1.1 -8,-2.0 -2,-0.3 -7,-2.0 -0.996 20.8 172.6-132.8 133.7 -8.9 23.6 79.4 19 32 A E E -AB 9 35A 11 16,-2.8 16,-2.6 -2,-0.4 2,-0.5 -0.912 32.0-116.5-139.5 164.8 -11.1 26.7 79.9 20 33 A K E -AB 8 34A 80 -12,-3.2 -12,-1.7 -2,-0.3 2,-0.5 -0.876 29.3-153.4-101.2 128.5 -14.6 27.9 80.9 21 34 A T E -AB 7 33A 0 12,-3.8 12,-1.5 -2,-0.5 2,-0.5 -0.896 5.1-162.1-110.2 129.2 -16.5 29.7 78.1 22 35 A T E +AB 6 32A 24 -16,-2.9 -17,-3.0 -2,-0.5 -16,-1.5 -0.913 22.2 164.1-107.7 132.5 -19.2 32.2 78.9 23 36 A Y E -AB 4 31A 14 8,-2.5 8,-2.8 -2,-0.5 2,-0.6 -0.930 37.0-113.0-146.1 167.4 -21.7 33.0 76.1 24 37 A M E -AB 3 30A 54 -21,-2.7 -21,-0.6 -2,-0.3 6,-0.2 -0.893 27.1-148.2-106.9 118.4 -25.1 34.6 75.3 25 38 A D > - 0 0 0 4,-2.7 3,-0.6 -2,-0.6 -22,-0.1 -0.245 38.5 -89.3 -74.9 173.9 -27.9 32.4 74.1 26 39 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.908 124.8 49.5 -46.2 -57.2 -30.5 33.8 71.6 27 40 A T T 3 S- 0 0 116 1,-0.1 -25,-0.0 2,-0.0 -3,-0.0 0.793 122.5 -99.9 -57.5 -33.1 -33.0 35.1 74.2 28 41 A G S < S+ 0 0 40 -3,-0.6 2,-0.1 1,-0.4 -1,-0.1 0.221 76.0 137.2 129.7 -12.3 -30.2 36.9 76.1 29 42 A K - 0 0 133 -5,-0.1 -4,-2.7 1,-0.1 -1,-0.4 -0.386 53.2-123.5 -68.0 138.4 -29.6 34.5 79.0 30 43 A T E +B 24 0A 83 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.676 34.7 179.8 -86.4 136.8 -26.0 33.9 79.9 31 44 A R E -B 23 0A 52 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.3 -0.868 16.2-134.5-133.4 166.7 -24.7 30.4 79.8 32 45 A T E +B 22 0A 81 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.832 15.8 180.0-122.9 162.1 -21.5 28.4 80.4 33 46 A W E -B 21 0A 79 -12,-1.5 -12,-3.8 -2,-0.3 2,-0.7 -0.975 29.0-125.1-159.9 141.9 -19.6 25.7 78.7 34 47 A E E -B 20 0A 32 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.843 36.2-168.1 -94.1 113.4 -16.4 23.8 79.4 35 48 A S E -B 19 0A 0 -16,-2.6 -16,-2.8 -2,-0.7 2,-0.4 -0.865 13.3-148.8-111.3 136.2 -14.1 24.1 76.3 36 49 A V E +Bc 18 124A 0 87,-2.7 89,-1.2 -2,-0.4 2,-0.3 -0.797 20.7 177.9 -99.4 140.6 -11.0 22.3 75.4 37 50 A K E -B 17 0A 20 -20,-2.3 -20,-2.5 -2,-0.4 2,-0.1 -0.987 22.7-127.6-142.0 149.8 -8.2 23.9 73.4 38 51 A R E -B 16 0A 48 -2,-0.3 -22,-0.2 -22,-0.2 -23,-0.1 -0.276 7.4-145.1 -85.6 178.3 -4.8 23.0 72.1 39 52 A T S S+ 0 0 50 -24,-1.4 -23,-0.1 -2,-0.1 -1,-0.1 0.223 85.9 69.8-127.9 10.8 -1.6 25.1 72.6 40 53 A T S S+ 0 0 58 -25,-0.3 2,-0.1 2,-0.0 -24,-0.1 0.734 72.3 89.7-101.3 -30.5 0.1 24.4 69.3 41 54 A R + 0 0 82 1,-0.1 6,-0.1 2,-0.1 46,-0.1 -0.457 42.7 158.8 -72.2 143.2 -2.0 26.2 66.6 42 55 A K - 0 0 151 -2,-0.1 -1,-0.1 5,-0.1 5,-0.0 0.543 69.6 -13.1-125.7 -83.1 -1.0 29.8 65.9 43 56 A E S S+ 0 0 154 3,-0.1 -2,-0.1 0, 0.0 45,-0.0 0.627 99.6 110.5-103.3 -16.7 -2.0 31.6 62.7 44 57 A Q S S- 0 0 29 42,-0.2 47,-0.0 1,-0.1 44,-0.0 -0.218 71.9-129.1 -61.7 147.8 -3.2 28.6 60.7 45 58 A T S S+ 0 0 100 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.697 94.3 28.5 -69.0 -20.7 -6.9 28.2 59.9 46 59 A A S S- 0 0 0 1,-0.1 82,-0.2 70,-0.1 40,-0.2 -0.982 77.3-123.9-141.9 151.6 -6.7 24.7 61.2 47 60 A D S S- 0 0 8 80,-2.3 39,-1.8 -2,-0.3 2,-0.2 0.968 85.1 -35.5 -56.3 -57.6 -4.7 22.8 63.8 48 61 A G E -De 85 128B 3 79,-0.9 81,-1.4 37,-0.3 37,-0.3 -0.690 64.6 -92.8-147.2-160.8 -3.5 20.2 61.3 49 62 A V E -De 84 129B 2 35,-2.2 35,-1.7 79,-0.3 2,-0.4 -0.794 13.5-152.6-124.9 169.3 -4.5 18.1 58.3 50 63 A A E -De 83 130B 8 79,-2.0 81,-2.3 -2,-0.3 2,-0.5 -0.989 20.9-142.7-140.2 128.3 -6.0 14.7 57.6 51 64 A V E - e 0 131B 0 31,-3.2 81,-0.2 -2,-0.4 79,-0.1 -0.855 10.9-158.7-106.3 133.2 -5.1 13.0 54.3 52 65 A I E - e 0 132B 0 79,-2.3 81,-2.4 -2,-0.5 2,-0.5 -0.890 25.1-164.4-103.0 94.2 -7.5 10.8 52.3 53 66 A P E - e 0 133B 0 0, 0.0 12,-1.8 0, 0.0 2,-0.7 -0.742 6.9-162.8 -86.4 123.0 -4.8 8.9 50.3 54 67 A V E -Fe 64 134B 9 79,-2.4 81,-2.7 -2,-0.5 2,-0.5 -0.923 7.6-151.6-112.7 107.3 -6.1 7.1 47.3 55 68 A L E -Fe 63 135B 9 8,-2.5 8,-1.9 -2,-0.7 2,-0.5 -0.689 15.7-162.5 -79.0 120.5 -3.7 4.4 46.0 56 69 A Q E + e 0 136B 72 79,-3.2 81,-1.5 -2,-0.5 82,-0.8 -0.924 16.2 166.9-118.0 120.2 -4.2 4.0 42.3 57 70 A R > - 0 0 69 -2,-0.5 3,-1.1 3,-0.4 79,-0.0 -0.943 37.8-129.6-126.4 147.2 -3.0 1.0 40.2 58 71 A T T 3 S+ 0 0 117 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.660 108.8 41.7 -70.9 -16.2 -3.8 0.0 36.7 59 72 A L T 3 S+ 0 0 147 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.236 114.3 58.4-113.0 12.2 -4.7 -3.6 37.6 60 73 A H S < S- 0 0 105 -3,-1.1 -3,-0.4 3,-0.0 2,-0.3 -0.937 80.0-109.7-141.7 161.7 -6.6 -2.8 40.7 61 74 A Y - 0 0 185 -2,-0.3 101,-0.1 1,-0.1 -2,-0.1 -0.660 62.5 -78.1 -85.4 147.0 -9.5 -0.9 42.2 62 75 A E - 0 0 57 -2,-0.3 100,-2.7 99,-0.1 101,-0.5 -0.054 44.5-151.2 -48.7 141.1 -8.4 2.1 44.4 63 76 A C E -FG 55 161B 15 -8,-1.9 -8,-2.5 98,-0.3 2,-0.6 -0.820 9.9-135.3-111.7 151.8 -7.2 1.4 47.9 64 77 A I E -FG 54 160B 0 96,-3.8 96,-2.8 -2,-0.3 2,-0.6 -0.958 21.5-139.4-107.5 124.4 -7.6 3.9 50.8 65 78 A V E + G 0 159B 0 -12,-1.8 94,-0.2 -2,-0.6 2,-0.2 -0.772 30.3 171.8 -88.5 122.0 -4.3 4.1 52.7 66 79 A L E - G 0 158B 0 92,-2.7 92,-2.6 -2,-0.6 2,-0.4 -0.733 23.2-130.5-122.8 171.8 -4.8 4.2 56.5 67 80 A V E -HG 80 157B 1 13,-2.5 13,-2.7 90,-0.2 2,-0.5 -0.990 5.2-150.7-131.9 136.1 -2.6 4.0 59.6 68 81 A K E +HG 79 156B 15 88,-3.2 88,-2.5 -2,-0.4 2,-0.3 -0.880 30.9 155.9-103.2 126.6 -2.9 2.0 62.8 69 82 A Q E -H 78 0B 17 9,-1.9 9,-2.0 -2,-0.5 86,-0.1 -0.957 45.8-107.3-158.5 135.4 -1.4 3.6 65.9 70 83 A F E -H 77 0B 15 84,-0.3 7,-0.3 -2,-0.3 84,-0.2 -0.361 32.4-159.9 -59.3 131.0 -1.8 3.4 69.6 71 84 A R E >>> -H 76 0B 36 5,-3.7 5,-1.5 1,-0.1 3,-1.4 -0.967 9.9-150.4-120.8 113.5 -3.5 6.5 70.9 72 85 A P G >45S+ 0 0 1 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.867 93.3 58.5 -47.7 -49.5 -3.0 7.2 74.6 73 86 A P G 345S+ 0 0 1 0, 0.0 245,-0.1 0, 0.0 158,-0.1 0.776 113.3 40.6 -56.6 -26.0 -6.3 9.0 75.2 74 87 A M G <45S- 0 0 37 -3,-1.4 3,-0.1 243,-0.3 247,-0.1 0.521 101.7-133.3 -98.5 -9.6 -8.1 5.9 74.0 75 88 A G T <<5S+ 0 0 40 -3,-1.3 2,-0.3 -4,-0.8 125,-0.2 0.856 78.7 57.8 59.0 32.0 -5.8 3.5 75.8 76 89 A G E - 0 0 93 -2,-0.6 3,-2.0 1,-0.1 8,-0.1 -0.380 40.0 -79.6 -71.4 154.2 3.9 24.2 60.8 88 101 A D T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.305 119.1 13.2 -56.9 130.9 3.9 28.0 60.7 89 102 A G T 3 S+ 0 0 88 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.159 99.8 122.4 89.5 -19.4 4.0 29.3 57.2 90 103 A E < - 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