==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-DEC-07 3BM4 . COMPND 2 MOLECULE: ADP-SUGAR PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.ZHA,Q.GUO,Y.ZHANG,C.ZHONG,Y.OU,J.DING . 394 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 25.9 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 . 3 0.8 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 . 34 8.6 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 . 67 17.0 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 0 2 1 2 1 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 3 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 13 A G 0 0 92 0, 0.0 2,-0.2 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 134.9 -30.1 38.7 67.9 2 14 A K - 0 0 159 1,-0.1 2,-0.2 26,-0.1 27,-0.0 -0.508 360.0-127.4 -77.7 144.2 -26.7 37.6 66.7 3 15 A Q + 0 0 13 -2,-0.2 2,-0.3 21,-0.0 23,-0.2 -0.584 31.2 171.0 -91.2 152.3 -24.3 36.0 69.1 4 16 A Y E -A 25 0A 118 21,-0.6 21,-2.6 -2,-0.2 2,-0.2 -0.986 36.7 -92.5-157.1 157.7 -20.8 37.2 69.7 5 17 A I E -A 24 0A 49 -2,-0.3 19,-0.3 269,-0.3 3,-0.1 -0.529 28.5-177.8 -76.1 137.8 -17.8 36.6 72.1 6 18 A I E - 0 0 77 17,-3.4 2,-0.3 1,-0.4 18,-0.2 0.829 64.2 -20.1-100.4 -48.5 -17.5 38.9 75.1 7 19 A S E -A 23 0A 57 16,-1.7 16,-2.6 2,-0.0 2,-0.4 -0.991 45.2-144.5-159.8 159.7 -14.3 37.6 76.7 8 20 A E E -A 22 0A 95 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.892 19.4-167.3-133.5 101.2 -11.9 34.7 76.8 9 21 A E E -A 21 0A 114 12,-2.4 12,-2.9 -2,-0.4 2,-0.2 -0.772 22.3-124.4 -93.8 128.4 -10.2 34.0 80.2 10 22 A L E +A 20 0A 86 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.493 29.8 174.9 -70.0 134.4 -7.3 31.6 80.4 11 23 A I E - 0 0 72 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.802 66.5 -13.0-104.6 -51.1 -7.9 28.8 82.8 12 24 A S E -A 19 0A 24 7,-1.3 7,-3.0 198,-0.1 2,-0.4 -0.969 59.9-159.3-155.8 137.6 -4.8 26.6 82.4 13 25 A E E -A 18 0A 115 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.968 7.8-178.3-129.7 124.4 -2.1 26.5 79.7 14 26 A G - 0 0 18 3,-3.4 205,-0.0 -2,-0.4 -2,-0.0 -0.147 49.6 -90.6 -96.8-163.4 0.2 23.6 78.8 15 27 A K S S+ 0 0 153 1,-0.1 3,-0.1 -2,-0.1 -1,-0.0 0.692 123.8 15.1 -84.4 -17.9 3.0 23.6 76.2 16 28 A W S S+ 0 0 122 1,-0.3 24,-2.2 24,-0.1 25,-0.6 0.638 126.9 37.6-124.9 -29.1 0.6 22.3 73.6 17 29 A V E - B 0 39A 2 22,-0.3 -3,-3.4 23,-0.1 2,-0.3 -0.961 55.9-169.4-133.2 148.9 -3.0 22.8 74.9 18 30 A K E -AB 13 38A 53 20,-2.8 20,-2.2 -2,-0.3 2,-0.4 -0.975 14.4-139.7-137.6 150.7 -4.9 25.4 76.9 19 31 A L E -AB 12 37A 3 -7,-3.0 -8,-3.2 -2,-0.3 -7,-1.3 -0.901 23.3-173.2-109.8 136.5 -8.3 25.7 78.6 20 32 A E E -AB 10 36A 11 16,-3.2 16,-2.6 -2,-0.4 2,-0.7 -0.921 26.2-132.2-131.0 155.3 -10.4 28.8 78.4 21 33 A K E -AB 9 35A 89 -12,-2.9 -12,-2.4 -2,-0.3 2,-0.5 -0.930 30.0-157.7-105.3 111.9 -13.6 30.2 79.9 22 34 A T E -AB 8 34A 0 12,-4.0 12,-1.7 -2,-0.7 2,-0.5 -0.818 8.3-166.0 -99.1 125.2 -15.6 31.7 77.1 23 35 A T E +AB 7 33A 21 -16,-2.6 -17,-3.4 -2,-0.5 -16,-1.7 -0.938 20.5 165.9-108.2 125.6 -18.2 34.3 77.9 24 36 A Y E -AB 5 32A 11 8,-2.7 8,-2.6 -2,-0.5 2,-0.4 -0.910 37.2-109.0-138.0 164.9 -20.6 35.0 75.0 25 37 A M E -AB 4 31A 30 -21,-2.6 -21,-0.6 -2,-0.3 6,-0.2 -0.805 31.4-146.5 -96.6 131.0 -23.9 36.8 74.3 26 38 A D > - 0 0 2 4,-2.8 3,-2.1 -2,-0.4 325,-0.0 -0.410 33.5 -94.5 -89.8 170.6 -26.9 34.5 73.5 27 39 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.746 124.0 55.1 -56.1 -26.6 -29.7 35.4 71.0 28 40 A T T 3 S- 0 0 102 2,-0.1 3,-0.1 -27,-0.0 -26,-0.1 0.289 122.3-103.1 -91.9 10.6 -31.9 36.7 73.9 29 41 A G S < S+ 0 0 52 -3,-2.1 2,-0.4 1,-0.3 -27,-0.0 0.639 77.9 138.8 79.1 14.4 -29.2 39.2 75.0 30 42 A K - 0 0 111 1,-0.0 -4,-2.8 -4,-0.0 2,-0.4 -0.750 53.7-123.8 -96.0 139.1 -28.3 37.0 78.0 31 43 A T E +B 25 0A 81 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.653 37.1 171.5 -82.3 132.2 -24.6 36.4 79.0 32 44 A R E -B 24 0A 55 -8,-2.6 -8,-2.7 -2,-0.4 2,-0.3 -0.892 20.2-135.0-135.3 165.3 -23.5 32.8 79.1 33 45 A T E -B 23 0A 80 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.779 13.8-173.2-121.1 166.0 -20.3 30.9 79.5 34 46 A W E -B 22 0A 82 -12,-1.7 -12,-4.0 -2,-0.3 2,-0.7 -0.979 26.2-124.3-156.8 144.8 -18.5 27.9 77.9 35 47 A E E -B 21 0A 32 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.863 38.0-170.0 -97.3 113.7 -15.4 25.9 78.5 36 48 A S E -B 20 0A 0 -16,-2.6 -16,-3.2 -2,-0.7 2,-0.4 -0.785 15.8-149.3-111.0 149.5 -13.2 26.0 75.4 37 49 A V E +Bc 19 125A 0 87,-2.2 89,-1.5 -2,-0.3 2,-0.3 -0.903 19.4 172.4-114.0 141.5 -10.0 24.2 74.3 38 50 A K E -B 18 0A 23 -20,-2.2 -20,-2.8 -2,-0.4 2,-0.3 -0.993 30.9-119.1-147.2 149.0 -7.3 25.6 72.1 39 51 A R E > -B 17 0A 39 -2,-0.3 3,-0.6 -22,-0.2 -22,-0.3 -0.668 13.9-144.5 -87.0 146.2 -3.9 24.5 70.9 40 52 A T T 3 S+ 0 0 45 -24,-2.2 -23,-0.1 -2,-0.3 -1,-0.1 0.556 94.2 67.2 -85.8 -8.3 -1.0 26.8 71.8 41 53 A T T 3 S+ 0 0 47 -25,-0.6 2,-0.2 2,-0.1 -1,-0.2 0.425 70.0 119.1 -92.1 -1.6 0.7 26.1 68.5 42 54 A R < - 0 0 86 -3,-0.6 2,-0.2 1,-0.0 6,-0.1 -0.483 52.3-148.6 -70.1 129.4 -1.8 27.8 66.2 43 55 A K > - 0 0 44 4,-0.3 3,-1.2 -2,-0.2 2,-0.1 -0.579 32.5 -84.8 -93.3 163.2 -0.5 30.7 64.2 44 56 A E T 3 S+ 0 0 94 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.407 110.6 5.3 -68.8 138.7 -2.6 33.7 63.2 45 57 A Q T 3 S+ 0 0 113 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.789 111.0 107.5 59.7 30.7 -4.7 33.3 60.1 46 58 A T S < S- 0 0 43 -3,-1.2 -1,-0.2 46,-0.0 82,-0.1 -1.000 70.2-121.5-141.4 138.3 -3.7 29.7 59.8 47 59 A A - 0 0 5 -2,-0.4 -4,-0.3 1,-0.1 40,-0.2 -0.280 32.8-113.7 -68.6 164.0 -5.6 26.4 60.4 48 60 A D S S- 0 0 10 80,-1.4 39,-2.3 -6,-0.1 2,-0.2 0.953 77.6 -45.0 -66.4 -49.4 -4.1 24.1 63.0 49 61 A G E -De 86 129B 2 79,-1.5 81,-1.6 37,-0.3 2,-0.3 -0.747 56.2 -95.7-156.7-155.5 -3.2 21.4 60.6 50 62 A V E -De 85 130B 1 35,-2.3 35,-1.9 79,-0.3 2,-0.4 -0.972 11.5-151.0-143.0 152.8 -4.2 19.2 57.7 51 63 A A E -De 84 131B 1 79,-2.2 81,-2.7 -2,-0.3 2,-0.4 -0.971 23.2-143.8-121.5 136.8 -5.7 15.7 57.2 52 64 A V E - e 0 132B 0 31,-3.3 81,-0.2 -2,-0.4 79,-0.1 -0.898 10.3-156.7-109.3 133.4 -4.7 14.1 53.9 53 65 A I E - e 0 133B 0 79,-2.5 81,-2.6 -2,-0.4 2,-0.8 -0.876 22.4-162.4-105.5 95.7 -7.0 11.8 51.8 54 66 A P E - e 0 134B 0 0, 0.0 12,-2.4 0, 0.0 2,-0.8 -0.732 5.5-163.6 -85.7 108.1 -4.4 9.8 49.9 55 67 A V E -Fe 65 135B 8 79,-3.3 81,-2.9 -2,-0.8 2,-0.6 -0.825 6.9-154.9 -96.8 107.9 -5.8 8.1 46.9 56 68 A L E -Fe 64 136B 9 8,-2.6 8,-1.9 -2,-0.8 2,-0.5 -0.729 12.7-163.5 -83.8 116.5 -3.4 5.4 45.7 57 69 A Q E + e 0 137B 77 79,-3.2 81,-2.3 -2,-0.6 82,-0.5 -0.878 12.3 173.2-109.5 131.2 -4.0 4.7 42.0 58 70 A R E > -F 61 0B 77 3,-0.6 3,-1.0 -2,-0.5 79,-0.0 -0.995 35.4-131.0-137.3 142.6 -2.7 1.6 40.2 59 71 A T T 3 S+ 0 0 120 -2,-0.4 -1,-0.1 1,-0.2 80,-0.0 0.875 107.9 37.3 -56.9 -43.7 -3.3 0.3 36.7 60 72 A L T 3 S+ 0 0 146 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.346 116.0 54.5 -94.8 6.7 -4.2 -3.3 37.7 61 73 A H E < S-F 58 0B 104 -3,-1.0 -3,-0.6 3,-0.0 3,-0.1 -0.954 81.5-105.7-140.4 158.3 -6.2 -2.4 40.9 62 74 A Y E - 0 0 174 -2,-0.3 -2,-0.1 1,-0.2 -6,-0.0 -0.361 62.0 -76.0 -72.7 162.8 -9.1 -0.4 42.1 63 75 A E E - 0 0 32 99,-0.1 100,-2.9 -6,-0.1 101,-0.5 -0.231 45.6-153.8 -63.1 149.2 -8.2 2.7 44.1 64 76 A C E -FG 56 162B 11 -8,-1.9 -8,-2.6 98,-0.3 2,-0.5 -0.891 11.1-135.3-120.7 152.5 -7.0 2.4 47.7 65 77 A I E -FG 55 161B 0 96,-3.2 96,-2.5 -2,-0.3 2,-0.7 -0.950 23.1-137.4-107.5 124.4 -7.2 5.0 50.5 66 78 A V E + G 0 160B 0 -12,-2.4 2,-0.2 -2,-0.5 94,-0.2 -0.751 30.6 172.6 -87.7 116.8 -4.0 5.2 52.5 67 79 A L E - G 0 159B 0 92,-2.4 92,-3.0 -2,-0.7 2,-0.3 -0.725 20.0-137.5-117.5 168.5 -4.5 5.4 56.2 68 80 A V E -HG 81 158B 0 13,-2.5 13,-2.5 90,-0.2 2,-0.5 -0.951 3.1-146.2-129.4 149.7 -2.2 5.3 59.2 69 81 A K E +HG 80 157B 48 88,-3.0 88,-2.5 -2,-0.3 2,-0.3 -0.963 28.3 161.3-116.7 129.8 -2.3 3.5 62.6 70 82 A Q E -H 79 0B 16 9,-1.9 9,-2.9 -2,-0.5 2,-0.4 -0.989 43.5-108.7-146.5 151.3 -0.8 5.2 65.7 71 83 A F E -H 78 0B 14 84,-0.4 7,-0.3 -2,-0.3 84,-0.1 -0.685 34.4-157.8 -79.7 131.2 -1.0 5.0 69.4 72 84 A R E >>> -H 77 0B 34 5,-3.4 4,-1.3 -2,-0.4 3,-1.3 -0.915 9.3-157.0-117.5 106.4 -2.9 8.1 70.7 73 85 A P G >45S+ 0 0 3 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.861 93.6 54.9 -45.6 -47.9 -2.2 9.0 74.3 74 86 A P G 345S+ 0 0 3 0, 0.0 247,-0.1 0, 0.0 160,-0.1 0.832 114.9 41.8 -58.7 -30.4 -5.5 11.0 74.7 75 87 A M G <45S- 0 0 33 -3,-1.3 3,-0.1 245,-0.3 249,-0.1 0.609 102.1-134.7 -90.3 -16.1 -7.3 7.9 73.5 76 88 A G T <<5S+ 0 0 41 -4,-1.3 2,-0.3 -3,-0.6 127,-0.2 0.787 77.6 50.0 66.2 25.3 -5.3 5.4 75.6 77 89 A G E - 0 0 82 -2,-0.4 3,-1.8 4,-0.2 8,-0.1 -0.421 40.8 -68.9 -80.1 160.0 4.5 24.5 60.2 89 101 A D T 3 S- 0 0 138 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.214 117.7 -1.2 -53.4 126.8 5.3 28.2 60.2 90 102 A G T 3 S+ 0 0 88 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.292 100.8 129.2 77.7 -10.3 5.0 29.9 56.8 91 103 A E < - 0 0 40 -3,-1.8 -1,-0.2 1,-0.1 -4,-0.0 -0.600 57.0-127.4 -81.3 133.1 4.0 26.5 55.2 92 104 A T > - 0 0 74 -2,-0.3 4,-2.7 -3,-0.1 5,-0.2 -0.359 22.8-112.0 -75.9 159.2 0.9 26.4 53.1 93 105 A P H > S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.939 119.0 51.1 -56.1 -47.4 -1.8 23.7 53.7 94 106 A E H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.917 111.7 46.2 -56.2 -47.6 -1.0 22.0 50.4 95 107 A A H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 111.1 52.2 -63.7 -42.2 2.7 21.8 51.3 96 108 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.908 108.9 52.1 -60.2 -41.7 2.0 20.6 54.8 97 109 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.909 110.9 44.5 -62.8 -46.5 -0.2 17.8 53.4 98 110 A L H X S+ 0 0 43 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.869 116.0 48.2 -67.6 -36.2 2.4 16.5 50.9 99 111 A R H X S+ 0 0 47 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.934 113.5 45.2 -69.0 -48.1 5.2 16.7 53.5 100 112 A E H X S+ 0 0 17 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.868 111.8 53.7 -63.9 -37.4 3.2 14.9 56.2 101 113 A L H X>S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 5,-0.8 0.932 113.1 42.3 -63.2 -45.9 2.0 12.3 53.7 102 114 A E H X5S+ 0 0 70 -4,-1.9 4,-1.7 3,-0.2 -2,-0.2 0.940 115.9 49.6 -65.9 -45.8 5.6 11.5 52.8 103 115 A E H <5S+ 0 0 67 -4,-2.9 46,-3.0 1,-0.2 -2,-0.2 0.888 120.5 34.6 -60.2 -42.2 6.8 11.6 56.4 104 116 A E H <5S+ 0 0 13 -4,-2.8 -1,-0.2 44,-0.2 -2,-0.2 0.741 137.1 16.4 -87.9 -24.2 4.1 9.3 57.7 105 117 A T H <5S- 0 0 2 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.630 88.6-125.4-121.3 -22.4 3.6 6.9 54.7 106 118 A G << + 0 0 15 -4,-1.7 41,-0.3 -5,-0.8 2,-0.2 0.298 66.8 133.1 90.4 -9.0 6.7 7.3 52.5 107 119 A Y - 0 0 31 -6,-0.6 2,-0.6 39,-0.1 -1,-0.3 -0.529 50.4-145.5 -80.7 141.0 4.4 8.1 49.5 108 120 A K + 0 0 103 -2,-0.2 29,-0.5 29,-0.1 2,-0.2 -0.926 31.7 178.4-104.1 116.8 5.0 11.0 47.2 109 121 A G - 0 0 17 -2,-0.6 2,-0.4 -11,-0.2 27,-0.2 -0.485 27.1-124.7-114.1-174.5 1.7 12.4 46.0 110 122 A D E -J 135 0B 96 25,-2.3 25,-2.5 -2,-0.2 2,-0.1 -0.993 33.7-107.4-131.8 136.3 0.2 15.1 43.9 111 123 A I E +J 134 0B 70 -2,-0.4 23,-0.2 23,-0.2 3,-0.1 -0.379 36.6 169.2 -65.0 136.9 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