==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 30-DEC-09 3AC9 . COMPND 2 MOLECULE: ADP-SUGAR PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.ARIMORI,Y.YAMAGATA . 390 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 9.0 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 . 1 0.3 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 . 25 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 16.7 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+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 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 1 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 2 0 3 2 3 1 1 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 1 1 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 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 0 141 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.0 -27.0 36.6 66.9 2 15 A Q - 0 0 15 25,-0.0 2,-0.4 24,-0.0 23,-0.2 -0.930 360.0-166.5-116.7 148.0 -24.7 35.2 69.6 3 16 A Y E -A 24 0A 145 21,-1.1 21,-2.6 -2,-0.3 2,-0.3 -0.992 26.2-113.6-140.5 139.0 -21.3 36.8 70.5 4 17 A I E -A 23 0A 56 -2,-0.4 19,-0.3 19,-0.2 3,-0.1 -0.550 27.9-178.3 -65.7 127.5 -18.2 36.0 72.5 5 18 A I E - 0 0 90 17,-3.0 2,-0.3 1,-0.4 18,-0.2 0.820 61.4 -29.0 -95.2 -42.2 -18.0 38.2 75.5 6 19 A S E -A 22 0A 57 16,-2.1 16,-2.6 2,-0.0 2,-0.4 -0.984 45.6-139.6-166.8 164.7 -14.7 37.0 76.9 7 20 A E E -A 21 0A 74 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.939 19.1-167.6-138.1 114.3 -12.4 34.1 77.3 8 21 A E E -A 20 0A 117 12,-2.8 12,-3.0 -2,-0.4 2,-0.1 -0.855 24.7-118.2-106.9 132.4 -10.6 33.3 80.5 9 22 A L E +A 19 0A 80 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.430 29.7 175.9 -62.3 133.4 -7.7 30.9 80.9 10 23 A I E - 0 0 62 8,-2.7 2,-0.3 1,-0.5 9,-0.2 0.771 67.0 -18.8-101.4 -48.2 -8.6 28.1 83.3 11 24 A S E -A 18 0A 19 7,-2.0 7,-2.2 196,-0.1 -1,-0.5 -0.985 62.7-146.6-158.5 155.9 -5.4 26.0 83.0 12 25 A E + 0 0 115 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.892 13.7 172.9-131.8 158.7 -2.5 25.6 80.6 13 26 A G - 0 0 20 3,-0.4 4,-0.0 -2,-0.3 -2,-0.0 -0.708 51.0 -86.8-140.0-164.6 -0.0 23.1 79.2 14 27 A K S S+ 0 0 146 -2,-0.2 3,-0.1 1,-0.1 24,-0.0 0.647 122.3 5.3 -86.3 -16.1 2.7 22.9 76.5 15 28 A W S S+ 0 0 111 1,-0.3 24,-2.4 24,-0.1 25,-0.7 0.528 127.2 49.5-135.8 -27.5 0.2 22.0 73.7 16 29 A V E - B 0 38A 3 22,-0.3 -3,-0.4 23,-0.1 2,-0.4 -0.963 55.2-172.5-127.7 137.1 -3.3 22.2 75.2 17 30 A K E - B 0 37A 51 20,-3.4 20,-2.5 -2,-0.4 2,-0.5 -0.975 16.3-141.9-127.3 143.9 -5.1 24.8 77.3 18 31 A L E -AB 11 36A 3 -7,-2.2 -8,-2.7 -2,-0.4 -7,-2.0 -0.902 27.4-179.2-102.0 128.8 -8.5 24.8 79.0 19 32 A E E -AB 9 35A 17 16,-3.4 16,-2.7 -2,-0.5 2,-0.5 -0.852 26.3-132.4-124.9 160.2 -10.4 28.0 78.8 20 33 A K E -AB 8 34A 83 -12,-3.0 -12,-2.8 -2,-0.3 2,-0.6 -0.974 24.3-156.0-113.6 122.7 -13.8 29.3 80.1 21 34 A T E -AB 7 33A 0 12,-3.8 12,-1.7 -2,-0.5 2,-0.5 -0.863 6.5-162.3-107.4 122.4 -15.8 31.1 77.5 22 35 A T E +AB 6 32A 28 -16,-2.6 -17,-3.0 -2,-0.6 -16,-2.1 -0.892 23.6 164.8 -99.5 127.6 -18.5 33.7 78.3 23 36 A Y E -AB 4 31A 14 8,-2.0 8,-3.0 -2,-0.5 2,-0.5 -0.927 35.9-116.4-140.2 161.4 -20.9 34.4 75.5 24 37 A M E -AB 3 30A 54 -21,-2.6 -21,-1.1 -2,-0.3 6,-0.2 -0.864 27.3-144.7-101.0 132.6 -24.3 36.1 74.9 25 38 A D > - 0 0 0 4,-2.8 3,-0.7 -2,-0.5 -22,-0.1 -0.349 35.5 -91.9 -87.1 175.0 -27.2 33.9 73.7 26 39 A P T 3 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -24,-0.0 0.781 124.9 54.9 -58.6 -28.5 -29.9 35.1 71.2 27 40 A T T 3 S- 0 0 100 2,-0.1 3,-0.1 1,-0.0 -25,-0.0 0.837 121.6-103.1 -74.3 -32.1 -32.1 36.2 74.1 28 41 A G S < S+ 0 0 46 -3,-0.7 2,-0.3 1,-0.3 -26,-0.0 0.287 76.4 137.4 121.5 -2.5 -29.5 38.4 75.7 29 42 A K - 0 0 112 -5,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.573 53.4-125.4 -79.8 133.4 -28.6 36.1 78.5 30 43 A T E +B 24 0A 85 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.577 35.5 176.5 -74.0 137.6 -24.9 35.6 79.4 31 44 A R E -B 23 0A 50 -8,-3.0 -8,-2.0 -2,-0.3 2,-0.3 -0.832 17.0-136.4-134.3 174.9 -23.8 31.9 79.3 32 45 A T E -B 22 0A 67 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.954 12.6-173.4-136.9 155.6 -20.5 30.0 79.8 33 46 A W E -B 21 0A 79 -12,-1.7 -12,-3.8 -2,-0.3 2,-0.6 -0.997 24.5-131.1-146.9 141.7 -18.6 27.2 78.2 34 47 A E E -B 20 0A 25 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.885 37.8-173.6 -94.1 120.8 -15.5 25.2 79.0 35 48 A S E -B 19 0A 0 -16,-2.7 -16,-3.4 -2,-0.6 2,-0.4 -0.906 19.9-142.8-123.3 142.2 -13.4 25.1 75.8 36 49 A V E +Bc 18 124A 2 87,-2.6 89,-1.6 -2,-0.4 2,-0.3 -0.826 23.2 173.7 -99.9 138.9 -10.2 23.3 74.8 37 50 A K E -B 17 0A 25 -20,-2.5 -20,-3.4 -2,-0.4 2,-0.2 -0.995 30.5-119.7-140.1 147.6 -7.6 25.0 72.6 38 51 A R E -B 16 0A 40 -2,-0.3 -22,-0.3 -22,-0.2 -23,-0.1 -0.596 10.9-148.1 -78.7 147.7 -4.2 24.1 71.3 39 52 A T S S+ 0 0 44 -24,-2.4 -23,-0.1 -2,-0.2 -1,-0.1 0.583 87.9 73.0 -86.7 -10.4 -1.4 26.5 72.3 40 53 A T S S+ 0 0 47 -25,-0.7 -1,-0.1 2,-0.0 -24,-0.1 0.891 72.0 86.2 -76.1 -47.1 0.4 25.6 69.1 41 54 A R + 0 0 79 1,-0.1 6,-0.1 2,-0.1 46,-0.0 -0.193 39.4 139.1 -57.7 146.7 -1.5 27.4 66.3 42 55 A K S S+ 0 0 124 4,-0.2 -1,-0.1 5,-0.0 -2,-0.0 0.157 74.3 3.2-143.4 -73.8 -0.7 31.0 65.5 43 56 A E S S+ 0 0 141 3,-0.0 -2,-0.1 2,-0.0 45,-0.0 0.856 96.4 105.2 -92.6 -38.9 -0.7 32.2 61.9 44 57 A Q S S- 0 0 32 1,-0.1 47,-0.1 42,-0.1 3,-0.1 0.130 79.7-117.5 -41.6 155.7 -1.7 29.0 60.0 45 58 A T S S- 0 0 98 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.651 95.0 -2.2 -71.6 -15.0 -5.2 28.8 58.5 46 59 A A S S- 0 0 0 1,-0.1 40,-0.3 81,-0.1 82,-0.2 -0.967 79.2 -97.3-165.8 166.8 -5.8 25.8 60.8 47 60 A D S S- 0 0 8 80,-0.9 39,-1.7 -2,-0.3 2,-0.2 0.897 92.3 -35.8 -62.1 -42.0 -4.1 23.6 63.4 48 61 A G E -De 85 128B 4 79,-1.2 81,-1.8 37,-0.3 2,-0.3 -0.816 56.9 -99.3-160.4-166.8 -3.3 20.9 60.9 49 62 A V E -De 84 129B 1 35,-2.3 35,-1.9 79,-0.3 2,-0.4 -0.948 12.5-154.0-131.8 151.2 -4.2 18.8 57.8 50 63 A A E -De 83 130B 7 79,-1.9 81,-2.6 -2,-0.3 2,-0.5 -0.972 23.7-141.8-116.1 140.9 -5.6 15.4 57.4 51 64 A V E - e 0 131B 0 31,-3.7 81,-0.2 -2,-0.4 79,-0.1 -0.911 11.5-159.3-110.5 126.6 -4.6 13.8 54.1 52 65 A I E - e 0 132B 0 79,-2.6 81,-2.5 -2,-0.5 2,-0.7 -0.844 21.0-165.4 -99.1 96.2 -6.9 11.7 51.9 53 66 A P E - e 0 133B 0 0, 0.0 12,-2.2 0, 0.0 2,-0.8 -0.735 5.8-159.5 -93.6 111.5 -4.3 9.8 49.8 54 67 A V E -Fe 64 134B 8 79,-3.2 81,-2.8 -2,-0.7 2,-0.7 -0.810 7.4-151.7 -96.5 106.8 -5.8 8.0 46.8 55 68 A L E -Fe 63 135B 6 8,-2.5 8,-2.0 -2,-0.8 2,-0.5 -0.695 15.2-168.9 -82.2 112.2 -3.5 5.3 45.6 56 69 A Q E + e 0 136B 74 79,-2.9 81,-2.8 -2,-0.7 82,-0.5 -0.905 12.3 166.2-110.8 122.9 -4.0 4.8 41.9 57 70 A R > - 0 0 61 -2,-0.5 3,-1.4 3,-0.5 79,-0.0 -0.991 39.7-128.4-137.4 144.3 -2.6 1.8 40.1 58 71 A T T 3 S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.3 80,-0.0 0.822 108.3 42.6 -63.2 -33.0 -3.3 0.5 36.6 59 72 A L T 3 S+ 0 0 143 2,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.284 113.3 56.4 -97.7 10.8 -3.9 -3.1 37.7 60 73 A H S < S- 0 0 107 -3,-1.4 -3,-0.5 3,-0.0 2,-0.1 -0.947 82.4-101.1-142.1 156.9 -6.0 -2.3 40.8 61 74 A Y - 0 0 173 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.434 61.9 -86.1 -64.9 152.8 -9.0 -0.6 42.2 62 75 A E - 0 0 53 -6,-0.1 100,-3.0 -2,-0.1 101,-0.4 -0.400 50.0-158.3 -61.1 138.2 -8.2 2.8 43.9 63 76 A C E -FG 55 161B 16 -8,-2.0 -8,-2.5 98,-0.3 2,-0.5 -0.829 13.6-130.0-115.5 158.1 -7.2 2.3 47.5 64 77 A I E -FG 54 160B 0 96,-3.3 96,-2.3 -2,-0.3 2,-0.6 -0.932 22.2-136.1-104.0 130.7 -7.2 4.8 50.4 65 78 A V E + G 0 159B 0 -12,-2.2 2,-0.3 -2,-0.5 94,-0.2 -0.780 31.3 173.4 -90.7 120.7 -3.9 5.0 52.3 66 79 A L E - G 0 158B 0 92,-2.6 92,-3.3 -2,-0.6 2,-0.4 -0.805 20.9-137.5-121.2 162.3 -4.4 5.0 56.1 67 80 A V E -HG 80 157B 0 13,-2.9 13,-2.8 -2,-0.3 2,-0.4 -0.937 4.8-154.2-121.0 147.8 -2.1 4.9 59.1 68 81 A K E +HG 79 156B 50 88,-2.6 88,-2.4 -2,-0.4 2,-0.3 -0.981 28.5 152.1-118.0 129.4 -2.4 3.0 62.4 69 82 A Q E -H 78 0B 23 9,-1.8 9,-2.2 -2,-0.4 2,-0.3 -0.991 48.3 -92.1-154.6 156.6 -0.7 4.3 65.5 70 83 A F E -H 77 0B 14 84,-0.4 7,-0.3 -2,-0.3 84,-0.1 -0.534 35.1-160.2 -72.5 131.7 -0.9 4.3 69.2 71 84 A R E >>> -H 76 0B 34 5,-3.8 3,-1.5 -2,-0.3 4,-1.2 -0.890 7.3-156.6-120.0 101.5 -2.8 7.4 70.5 72 85 A P G >45S+ 0 0 4 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.840 92.7 53.3 -42.5 -52.7 -2.1 8.2 74.2 73 86 A P G 345S+ 0 0 3 0, 0.0 245,-0.1 0, 0.0 248,-0.1 0.808 115.9 41.5 -59.6 -29.1 -5.4 10.1 74.8 74 87 A M G <45S- 0 0 38 -3,-1.5 3,-0.1 243,-0.4 247,-0.1 0.566 103.0-138.1 -86.4 -13.9 -7.3 7.1 73.5 75 88 A G T <<5S+ 0 0 40 -3,-1.3 2,-0.3 -4,-1.2 125,-0.2 0.836 75.6 53.6 56.3 34.7 -4.9 4.7 75.4 76 89 A G E - 0 0 90 -2,-0.4 3,-0.8 4,-0.2 2,-0.3 -0.280 38.3 -68.8 -88.3 178.8 4.4 24.6 60.2 88 101 A D T 3 S- 0 0 100 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.518 117.6 -0.5 -76.6 129.3 5.0 28.3 59.9 89 102 A G T 3 S+ 0 0 88 -2,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.348 103.4 129.6 75.9 -7.4 4.7 29.8 56.4 90 103 A E < - 0 0 42 -3,-0.8 -1,-0.3 4,-0.0 -4,-0.0 -0.673 56.4-132.5 -83.8 128.1 3.9 26.3 55.3 91 104 A T > - 0 0 69 -2,-0.4 4,-3.0 -3,-0.1 5,-0.2 -0.423 19.5-115.3 -76.3 153.2 0.8 25.9 53.2 92 105 A P H > S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.914 118.7 52.8 -51.7 -46.2 -1.9 23.3 54.0 93 106 A E H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.891 111.8 45.0 -57.0 -41.8 -1.0 21.7 50.6 94 107 A A H > S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.911 111.8 51.2 -72.0 -43.1 2.7 21.5 51.5 95 108 A A H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.911 111.2 50.2 -57.6 -42.5 2.1 20.2 55.0 96 109 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.925 111.1 46.7 -63.5 -46.6 -0.1 17.5 53.5 97 110 A L H X S+ 0 0 60 -4,-2.1 4,-1.9 2,-0.2 11,-0.2 0.926 117.6 43.7 -63.3 -43.4 2.4 16.4 50.9 98 111 A R H X S+ 0 0 53 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.956 112.6 50.6 -64.8 -52.6 5.2 16.4 53.5 99 112 A E H X S+ 0 0 21 -4,-3.2 4,-2.1 -5,-0.2 5,-0.2 0.871 110.8 50.7 -55.9 -40.5 3.1 14.7 56.2 100 113 A L H X>S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 5,-0.7 0.926 112.9 44.3 -62.8 -47.7 2.1 11.9 53.7 101 114 A E H X5S+ 0 0 87 -4,-1.9 4,-2.2 3,-0.2 -2,-0.2 0.948 114.3 49.7 -64.1 -47.7 5.7 11.2 52.6 102 115 A E 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