==== 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 29-DEC-09 3L85 . 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) . 17117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 74.6 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 . 101 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 . 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 . 2 0.5 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 . 47 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 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 2 1 2 2 1 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 0 0 0 0 0 0 0 0 1 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 0 139 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.4 -26.9 36.9 66.6 2 15 A Q - 0 0 13 25,-0.1 2,-0.3 24,-0.0 23,-0.2 -0.876 360.0-177.2-110.8 145.9 -24.5 35.4 69.2 3 16 A Y E -A 24 0A 147 21,-0.9 21,-2.3 -2,-0.4 2,-0.2 -0.979 29.1-106.0-142.7 151.9 -21.1 36.9 70.1 4 17 A I E -A 23 0A 54 -2,-0.3 19,-0.3 267,-0.3 3,-0.1 -0.523 25.1-177.0 -74.0 141.8 -18.1 36.2 72.3 5 18 A I E - 0 0 90 17,-3.8 2,-0.3 1,-0.4 18,-0.2 0.781 64.4 -15.7-104.0 -47.7 -17.8 38.4 75.4 6 19 A S E -A 22 0A 50 16,-2.0 16,-3.1 2,-0.1 2,-0.4 -0.991 42.0-146.2-158.5 152.6 -14.5 37.1 76.9 7 20 A E E -A 21 0A 68 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.703 28.6-178.2-119.5 77.0 -12.0 34.3 76.7 8 21 A E E -A 20 0A 104 12,-1.7 12,-2.9 -2,-0.4 -2,-0.1 -0.675 25.4-123.3 -85.7 120.9 -10.7 33.9 80.2 9 22 A L E -A 19 0A 74 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.170 27.0-179.9 -60.8 150.2 -8.0 31.2 80.7 10 23 A I E - 0 0 68 8,-2.5 2,-0.3 1,-0.5 9,-0.2 0.695 64.5 -20.7-115.3 -48.9 -8.5 28.4 83.2 11 24 A S E -A 18 0A 21 7,-2.1 7,-1.9 196,-0.1 -1,-0.5 -0.932 58.7-154.5-154.4 174.3 -5.3 26.3 82.9 12 25 A E E -A 17 0A 112 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.998 8.5-175.4-158.3 151.9 -2.5 25.6 80.4 13 26 A G - 0 0 19 3,-1.3 203,-0.0 -2,-0.3 -2,-0.0 -0.609 49.8 -85.5-129.0-165.6 0.2 23.1 79.3 14 27 A K S S+ 0 0 162 -2,-0.2 3,-0.1 1,-0.1 0, 0.0 0.819 123.7 11.6 -75.7 -31.1 3.0 23.1 76.8 15 28 A W S S+ 0 0 134 1,-0.3 24,-2.4 24,-0.1 25,-0.9 0.674 128.0 41.9-117.2 -30.4 0.8 22.1 73.8 16 29 A V E - B 0 38A 2 22,-0.3 -3,-1.3 23,-0.2 2,-0.3 -0.969 57.6-166.9-132.9 138.4 -2.8 22.5 75.0 17 30 A K E -AB 12 37A 53 20,-3.0 20,-2.4 -2,-0.4 2,-0.5 -0.887 14.1-139.9-122.7 154.3 -4.7 25.1 77.1 18 31 A L E -AB 11 36A 3 -7,-1.9 -8,-2.5 -2,-0.3 -7,-2.1 -0.957 26.5-173.4-115.6 127.5 -8.1 25.1 78.7 19 32 A E E -AB 9 35A 17 16,-3.4 16,-2.2 -2,-0.5 2,-0.6 -0.802 26.5-131.8-124.1 160.0 -10.2 28.2 78.6 20 33 A K E -AB 8 34A 87 -12,-2.9 -12,-1.7 -2,-0.3 2,-0.6 -0.947 26.2-158.6-109.6 114.4 -13.5 29.7 79.9 21 34 A T E -AB 7 33A 0 12,-3.6 12,-1.5 -2,-0.6 2,-0.5 -0.835 4.7-164.9-101.2 121.2 -15.5 31.3 77.2 22 35 A T E +AB 6 32A 17 -16,-3.1 -17,-3.8 -2,-0.6 -16,-2.0 -0.907 23.1 157.1-105.0 127.7 -18.1 33.9 78.1 23 36 A Y E -AB 4 31A 19 8,-2.4 8,-3.0 -2,-0.5 2,-0.5 -0.857 38.5-110.0-143.4 174.5 -20.7 34.7 75.4 24 37 A M E -AB 3 30A 54 -21,-2.3 -21,-0.9 -2,-0.3 6,-0.2 -0.947 24.3-144.0-116.2 125.3 -24.2 36.1 74.7 25 38 A D > - 0 0 2 4,-2.4 3,-2.3 -2,-0.5 -22,-0.1 -0.237 42.0 -89.7 -74.7 172.5 -27.1 34.0 73.5 26 39 A P T 3 S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -24,-0.0 0.653 127.0 58.8 -59.8 -14.1 -29.7 35.4 71.0 27 40 A T T 3 S- 0 0 104 2,-0.1 -25,-0.1 0, 0.0 -2,-0.0 0.408 120.8-104.0 -97.0 0.9 -31.7 36.6 74.0 28 41 A G S < S+ 0 0 48 -3,-2.3 2,-0.3 1,-0.3 -26,-0.0 0.578 73.9 143.0 89.8 12.2 -28.9 38.8 75.4 29 42 A K - 0 0 118 -4,-0.1 -4,-2.4 1,-0.0 2,-0.6 -0.680 52.2-123.2 -92.3 138.0 -28.1 36.5 78.2 30 43 A T E +B 24 0A 71 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.2 -0.683 38.5 173.0 -80.9 116.5 -24.5 35.9 79.4 31 44 A R E -B 23 0A 70 -8,-3.0 -8,-2.4 -2,-0.6 2,-0.3 -0.736 18.7-138.4-117.8 169.5 -23.6 32.2 79.2 32 45 A T E -B 22 0A 83 -2,-0.2 2,-0.3 -10,-0.2 -10,-0.2 -0.895 14.4-176.5-129.8 159.5 -20.3 30.3 79.7 33 46 A W E -B 21 0A 87 -12,-1.5 -12,-3.6 -2,-0.3 2,-0.7 -0.979 26.2-126.8-156.9 137.6 -18.5 27.4 78.1 34 47 A E E -B 20 0A 38 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.802 35.9-174.5 -91.0 115.7 -15.3 25.4 78.7 35 48 A S E -B 19 0A 0 -16,-2.2 -16,-3.4 -2,-0.7 2,-0.4 -0.874 17.8-145.5-116.8 142.6 -13.2 25.4 75.5 36 49 A V E -Bc 18 124A 3 87,-2.5 89,-1.3 -2,-0.4 2,-0.3 -0.846 20.9-179.3-102.7 141.2 -10.0 23.6 74.6 37 50 A K E -B 17 0A 19 -20,-2.4 -20,-3.0 -2,-0.4 2,-0.4 -0.999 29.2-121.2-141.9 138.3 -7.3 25.3 72.4 38 51 A R E -B 16 0A 47 -2,-0.3 3,-0.5 -22,-0.2 -22,-0.3 -0.626 13.3-158.2 -72.7 130.0 -4.0 24.3 71.0 39 52 A T S S+ 0 0 45 -24,-2.4 -23,-0.2 -2,-0.4 -1,-0.1 0.637 86.6 74.3 -80.2 -14.7 -1.3 26.7 72.1 40 53 A T S S+ 0 0 41 -25,-0.9 2,-0.5 2,-0.1 -1,-0.2 -0.062 70.8 125.3 -89.2 33.3 0.8 25.5 69.2 41 54 A R - 0 0 95 -3,-0.5 2,-0.3 -2,-0.1 6,-0.1 -0.840 49.7-149.0-102.9 124.7 -1.4 27.5 66.7 42 55 A K > - 0 0 27 -2,-0.5 3,-0.9 4,-0.3 44,-0.1 -0.683 26.0-110.9 -87.6 141.3 0.1 30.0 64.3 43 56 A E T 3 S+ 0 0 172 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.165 97.1 31.7 -65.4 163.1 -1.9 33.0 63.2 44 57 A Q T 3 S+ 0 0 190 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.555 113.9 70.7 67.7 8.9 -3.3 33.4 59.7 45 58 A T S < S- 0 0 32 -3,-0.9 -1,-0.1 46,-0.0 46,-0.0 -0.996 82.5-101.9-155.0 155.1 -3.6 29.6 59.4 46 59 A A - 0 0 4 -2,-0.3 40,-0.3 2,-0.1 -4,-0.3 -0.208 43.6-103.4 -69.9 167.3 -5.5 26.5 60.5 47 60 A D S S- 0 0 5 80,-0.7 39,-1.5 78,-0.2 2,-0.2 0.958 83.5 -46.2 -58.1 -54.6 -4.0 24.1 63.1 48 61 A G E -De 85 128B 4 79,-1.5 81,-1.5 37,-0.3 2,-0.3 -0.722 58.5 -92.8-155.5-156.1 -3.0 21.5 60.7 49 62 A V E -De 84 129B 2 35,-2.3 35,-1.4 79,-0.3 2,-0.4 -0.960 11.6-149.4-137.8 153.6 -4.0 19.4 57.7 50 63 A A E -De 83 130B 2 79,-2.0 81,-2.5 -2,-0.3 2,-0.5 -0.994 22.2-144.7-120.9 134.7 -5.5 16.0 56.9 51 64 A V E - e 0 131B 0 31,-2.8 81,-0.2 -2,-0.4 79,-0.1 -0.865 11.3-163.1-108.4 126.7 -4.4 14.3 53.7 52 65 A I E - e 0 132B 0 79,-2.6 81,-2.6 -2,-0.5 2,-0.7 -0.851 18.9-166.0-104.1 94.8 -6.7 12.2 51.5 53 66 A P E - e 0 133B 0 0, 0.0 12,-2.2 0, 0.0 2,-0.9 -0.742 7.2-160.0 -90.8 112.6 -4.2 10.3 49.3 54 67 A V E -Fe 64 134B 8 79,-3.0 81,-2.5 -2,-0.7 2,-0.4 -0.801 10.9-150.3 -94.4 102.6 -5.7 8.6 46.3 55 68 A L E -Fe 63 135B 5 8,-2.4 8,-2.1 -2,-0.9 2,-0.6 -0.592 14.1-164.4 -74.1 124.6 -3.3 5.9 45.2 56 69 A Q E + e 0 136B 72 79,-3.5 81,-1.8 -2,-0.4 82,-0.6 -0.916 17.9 161.0-121.9 108.7 -3.6 5.4 41.4 57 70 A R > - 0 0 67 -2,-0.6 3,-0.7 3,-0.3 79,-0.0 -0.913 40.3-130.4-118.6 152.7 -2.2 2.3 39.6 58 71 A T T 3 S+ 0 0 119 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.718 106.2 48.1 -73.9 -20.5 -3.3 1.1 36.1 59 72 A L T 3 S+ 0 0 148 2,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.479 111.1 50.8 -99.2 -4.2 -3.8 -2.5 37.2 60 73 A H S < S- 0 0 108 -3,-0.7 -3,-0.3 3,-0.0 3,-0.1 -0.880 84.8 -98.5-133.3 160.9 -5.9 -1.8 40.4 61 74 A Y - 0 0 177 -2,-0.3 -4,-0.1 1,-0.1 -2,-0.1 -0.397 63.4 -79.6 -67.9 156.6 -8.9 0.1 41.7 62 75 A E - 0 0 67 -6,-0.1 100,-3.2 99,-0.1 101,-0.4 -0.323 51.6-155.5 -62.2 139.2 -8.1 3.4 43.4 63 76 A C E -FG 55 161B 13 -8,-2.1 -8,-2.4 98,-0.3 2,-0.5 -0.824 12.1-135.6-115.1 156.2 -6.9 3.1 47.0 64 77 A I E -FG 54 160B 0 96,-2.9 96,-2.2 -2,-0.3 2,-0.7 -0.964 21.4-137.4-109.8 122.9 -6.9 5.4 49.9 65 78 A V E + G 0 159B 0 -12,-2.2 2,-0.3 -2,-0.5 94,-0.2 -0.704 29.9 176.1 -83.9 114.6 -3.7 5.5 51.9 66 79 A L E - G 0 158B 0 92,-3.1 92,-3.2 -2,-0.7 2,-0.4 -0.757 19.1-137.1-113.6 163.2 -4.3 5.5 55.6 67 80 A V E -HG 80 157B 0 13,-2.9 13,-2.5 -2,-0.3 2,-0.5 -0.958 4.5-153.1-123.7 140.6 -2.0 5.4 58.6 68 81 A K E +HG 79 156B 30 88,-3.0 88,-2.8 -2,-0.4 2,-0.3 -0.948 28.6 152.0-110.3 130.4 -2.1 3.5 61.8 69 82 A Q E -H 78 0B 20 9,-1.7 9,-1.7 -2,-0.5 2,-0.3 -0.986 48.7 -96.3-157.5 146.4 -0.4 4.8 64.9 70 83 A F E -H 77 0B 14 84,-0.4 7,-0.3 -2,-0.3 84,-0.1 -0.448 34.4-161.4 -64.1 122.8 -0.7 4.7 68.7 71 84 A R E >>> -H 76 0B 29 5,-3.1 5,-1.3 -2,-0.3 3,-1.1 -0.922 8.0-154.8-111.8 107.9 -2.6 7.8 70.0 72 85 A P G >45S+ 0 0 0 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.834 93.1 55.6 -47.8 -45.9 -2.0 8.4 73.7 73 86 A P G 345S+ 0 0 3 0, 0.0 245,-0.1 0, 0.0 248,-0.1 0.867 113.4 42.3 -59.6 -34.7 -5.3 10.2 74.3 74 87 A M G <45S- 0 0 36 -3,-1.1 3,-0.1 243,-0.4 247,-0.1 0.530 103.0-137.1 -84.7 -8.2 -7.2 7.2 72.9 75 88 A G T <<5S+ 0 0 40 -3,-1.0 2,-0.3 -4,-0.8 125,-0.2 0.835 76.3 48.0 53.3 34.8 -4.9 4.8 74.8 76 89 A G E - 0 0 93 -2,-0.7 3,-2.0 1,-0.1 8,-0.1 -0.138 40.8 -77.5 -56.5 153.3 4.7 24.9 59.7 88 101 A D T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -43,-0.0 3,-0.1 -0.253 116.3 4.1 -55.9 134.0 4.9 28.7 59.9 89 102 A G T 3 S+ 0 0 90 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.403 103.9 128.2 72.0 -4.2 4.6 30.5 56.5 90 103 A E < - 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