==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAY-97 1TIP . COMPND 2 MOLECULE: PHOSPHOENZYME INTERMEDIATE OF FRU-2,6- . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Y.-H.LEE,T.W.OLSON,C.M.OGATA,D.G.LEVITT,L.J.BANASZAK, . 382 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 30 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 2 0 0 3 3 2 0 2 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 2 0 0 0 1 1 0 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 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 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 1 A M 0 0 180 0, 0.0 2,-0.3 0, 0.0 177,-0.1 0.000 360.0 360.0 360.0 150.2 37.1 -4.1 56.0 2 2 A R - 0 0 98 175,-0.2 2,-0.4 133,-0.1 135,-0.2 -0.642 360.0-166.3 -87.7 143.7 37.8 -1.7 53.1 3 3 A S - 0 0 9 -2,-0.3 135,-1.6 173,-0.2 2,-0.6 -0.984 12.4-148.4-130.8 139.8 35.0 0.2 51.4 4 4 A I E -aB 138 175A 7 171,-3.0 171,-3.2 -2,-0.4 2,-0.5 -0.952 13.6-156.2-109.0 117.5 35.1 2.1 48.1 5 5 A Y E -aB 139 174A 5 133,-2.8 135,-2.9 -2,-0.6 2,-0.4 -0.868 11.5-171.5 -95.3 126.0 32.7 5.0 48.0 6 6 A L E +aB 140 173A 0 167,-2.7 167,-2.9 -2,-0.5 2,-0.3 -0.968 17.7 141.7-121.1 132.3 31.6 6.1 44.5 7 7 A C E -a 141 0A 0 133,-2.0 135,-2.6 -2,-0.4 2,-0.2 -0.967 40.4-111.1-158.0 167.5 29.6 9.2 43.7 8 8 A R E -a 142 0A 1 163,-0.4 135,-0.2 -2,-0.3 162,-0.2 -0.633 44.5 -84.5-100.7 167.5 29.3 12.0 41.1 9 9 A X - 0 0 10 133,-1.7 161,-0.4 -2,-0.2 -1,-0.2 -0.144 62.0 -85.7 -58.1 160.4 30.0 15.6 41.5 10 10 A G S S- 0 0 0 48,-0.6 20,-0.2 1,-0.2 -1,-0.1 -0.254 72.0 -59.0 -66.5 167.0 27.2 17.7 42.9 11 11 A E - 0 0 18 18,-0.2 16,-2.8 15,-0.1 19,-0.2 -0.213 63.2-148.2 -51.2 119.9 24.5 18.9 40.5 12 12 A S B > -F 26 0B 2 14,-0.3 4,-1.8 -3,-0.2 14,-0.2 -0.436 23.0-111.6 -88.2 167.3 26.3 21.1 37.8 13 13 A E H > S+ 0 0 90 12,-2.0 4,-1.3 1,-0.2 5,-0.1 0.903 121.2 50.6 -63.7 -40.3 24.8 24.1 36.0 14 14 A L H 4>S+ 0 0 11 11,-0.3 5,-2.9 1,-0.2 4,-0.5 0.816 105.6 56.6 -67.9 -29.0 24.8 22.1 32.7 15 15 A N H >45S+ 0 0 10 1,-0.2 3,-1.1 3,-0.2 267,-0.2 0.928 106.2 50.5 -65.7 -42.8 23.1 19.2 34.5 16 16 A L H 3<5S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.787 111.0 48.5 -64.4 -31.0 20.3 21.6 35.5 17 17 A R T 3<5S- 0 0 137 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.491 114.9-116.8 -87.8 -5.5 20.0 22.8 31.9 18 18 A G T < 5 + 0 0 21 -3,-1.1 71,-0.4 -4,-0.5 2,-0.4 0.838 68.4 137.9 72.4 34.3 19.9 19.2 30.6 19 19 A R < - 0 0 25 -5,-2.9 -1,-0.3 69,-0.1 69,-0.2 -0.882 46.4-126.3-116.2 144.3 23.1 19.5 28.6 20 20 A I - 0 0 32 67,-2.0 66,-1.5 -2,-0.4 -5,-0.0 -0.425 60.0 -13.5 -88.9 161.7 26.0 17.0 28.4 21 21 A G S S+ 0 0 17 64,-0.2 3,-0.3 -2,-0.1 -7,-0.1 -0.110 72.7 119.0 53.9-143.0 29.7 17.2 29.0 22 22 A G S S- 0 0 10 1,-0.2 2,-0.1 -8,-0.0 -1,-0.1 -0.112 70.4 -93.7 75.1-176.8 31.4 20.6 29.4 23 23 A D + 0 0 72 33,-0.1 2,-0.2 34,-0.1 -1,-0.2 -0.574 61.2 152.4-137.9 69.2 33.2 22.0 32.4 24 24 A S - 0 0 21 -3,-0.3 34,-0.5 -2,-0.1 2,-0.1 -0.568 39.7-110.1 -98.1 164.3 30.7 23.9 34.4 25 25 A G - 0 0 23 -2,-0.2 -12,-2.0 1,-0.1 -11,-0.3 -0.279 42.2 -77.9 -87.1 175.9 30.5 24.6 38.2 26 26 A L B -F 12 0B 7 -14,-0.2 -14,-0.3 31,-0.1 -1,-0.1 -0.501 42.5-131.1 -75.5 145.3 28.2 23.4 40.9 27 27 A S > - 0 0 2 -16,-2.8 4,-1.9 -2,-0.2 5,-0.2 -0.111 37.2 -85.9 -81.1-176.2 24.7 24.8 41.2 28 28 A A H >> S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 3,-0.8 0.982 130.7 34.4 -59.1 -63.5 23.1 26.0 44.5 29 29 A R H 3> S+ 0 0 53 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.591 110.9 67.6 -71.0 -6.2 21.7 22.7 45.7 30 30 A G H 3> S+ 0 0 0 -19,-0.2 4,-1.2 2,-0.2 3,-0.4 0.898 103.1 44.2 -74.9 -39.7 24.8 21.1 44.1 31 31 A K H X>S+ 0 0 19 -4,-2.8 3,-1.0 2,-0.2 5,-0.6 0.931 110.2 48.4 -59.7 -45.8 31.6 11.1 55.4 42 42 A R H ><5S+ 0 0 156 -4,-1.8 3,-1.7 1,-0.3 -2,-0.2 0.938 108.8 53.7 -60.2 -45.7 32.4 12.4 58.9 43 43 A S H 3<5S+ 0 0 88 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.609 98.3 65.9 -64.6 -15.5 29.6 10.3 60.4 44 44 A Q H <<5S- 0 0 60 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.698 92.3-147.0 -79.2 -20.0 31.1 7.2 58.7 45 45 A G T <<5 - 0 0 67 -3,-1.7 2,-0.3 -4,-0.6 -3,-0.1 0.937 26.0-174.6 51.7 52.2 34.2 7.5 60.9 46 46 A I < - 0 0 36 -5,-0.6 2,-0.5 -4,-0.1 3,-0.4 -0.634 22.3-125.4 -82.3 135.6 36.4 6.1 58.2 47 47 A S S S- 0 0 87 -2,-0.3 90,-0.3 1,-0.2 -1,-0.0 -0.712 80.9 -17.0 -85.8 121.3 40.0 5.4 59.0 48 48 A S S S- 0 0 120 -2,-0.5 2,-0.4 1,-0.2 89,-0.4 0.957 80.8-160.9 49.2 69.0 42.5 7.1 56.7 49 49 A L - 0 0 41 -3,-0.4 2,-0.4 87,-0.1 89,-0.2 -0.678 5.8-151.4 -82.6 126.7 40.2 7.9 53.8 50 50 A K E -c 138 0A 69 87,-2.1 89,-2.5 -2,-0.4 2,-0.4 -0.816 12.2-155.5 -95.6 138.7 41.9 8.7 50.5 51 51 A V E -c 139 0A 0 -2,-0.4 20,-2.3 18,-0.3 2,-0.3 -0.979 10.2-173.3-121.0 128.9 39.9 11.0 48.3 52 52 A W E +cd 140 71A 1 87,-2.8 89,-2.6 -2,-0.4 2,-0.2 -0.933 8.6 165.6-120.4 144.5 40.2 11.2 44.4 53 53 A T E - d 0 72A 0 18,-2.3 20,-3.1 -2,-0.3 23,-0.2 -0.818 30.8-109.9-142.1-179.5 38.6 13.6 42.0 54 54 A S - 0 0 0 87,-0.4 20,-0.2 2,-0.3 6,-0.1 -0.354 37.3 -97.9-104.5-172.3 39.1 14.6 38.3 55 55 A H S S+ 0 0 96 18,-0.5 2,-0.3 19,-0.2 19,-0.1 0.490 90.0 109.3 -84.9 -6.0 40.5 17.7 36.7 56 56 A M S >> S- 0 0 36 1,-0.1 4,-2.0 18,-0.1 3,-1.1 -0.576 74.2-129.3 -76.7 135.6 36.9 19.0 36.2 57 57 A K H 3> S+ 0 0 115 -2,-0.3 4,-3.1 1,-0.3 5,-0.3 0.829 102.6 60.1 -49.1 -45.3 35.7 21.9 38.3 58 58 A R H 3> S+ 0 0 3 -34,-0.5 4,-0.8 1,-0.2 -48,-0.6 0.833 109.6 41.3 -58.3 -36.3 32.5 20.2 39.4 59 59 A T H X> S+ 0 0 0 -3,-1.1 4,-2.0 2,-0.2 3,-0.6 0.946 115.5 50.4 -76.0 -47.8 34.3 17.3 41.1 60 60 A I H 3X S+ 0 0 31 -4,-2.0 4,-2.0 1,-0.3 3,-0.4 0.948 109.2 51.4 -53.2 -52.7 37.0 19.5 42.6 61 61 A Q H 3X S+ 0 0 69 -4,-3.1 4,-0.8 1,-0.2 -1,-0.3 0.771 108.0 52.6 -56.9 -31.6 34.4 21.9 44.1 62 62 A T H << S+ 0 0 0 -4,-0.8 3,-0.4 -3,-0.6 -1,-0.2 0.897 108.8 49.5 -72.6 -40.1 32.5 19.0 45.7 63 63 A A H >< S+ 0 0 0 -4,-2.0 3,-2.1 -3,-0.4 4,-0.5 0.830 98.1 68.7 -67.0 -35.7 35.6 17.7 47.4 64 64 A E H >< S+ 0 0 116 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.890 91.1 61.4 -51.1 -42.7 36.5 21.2 48.8 65 65 A A T 3< S+ 0 0 27 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.625 91.6 69.0 -62.8 -12.8 33.5 21.0 51.1 66 66 A L T < S- 0 0 14 -3,-2.1 2,-0.8 -4,-0.2 -1,-0.3 0.745 88.8-146.8 -77.7 -27.5 35.0 17.9 52.8 67 67 A G < + 0 0 72 -3,-1.6 -1,-0.1 -4,-0.5 -2,-0.1 -0.206 65.0 103.5 89.7 -45.0 37.9 19.9 54.4 68 68 A V S S- 0 0 73 -2,-0.8 -1,-0.3 1,-0.1 -2,-0.2 -0.217 82.9 -93.7 -68.7 156.9 40.2 16.9 54.1 69 69 A P - 0 0 117 0, 0.0 -18,-0.3 0, 0.0 2,-0.3 -0.419 45.0-173.5 -72.6 154.0 42.9 16.8 51.4 70 70 A Y - 0 0 62 -20,-0.1 2,-0.3 -2,-0.1 -18,-0.2 -0.870 17.4-125.4-140.5 171.8 42.3 15.1 48.0 71 71 A E E -d 52 0A 85 -20,-2.3 -18,-2.3 -2,-0.3 2,-0.5 -0.928 16.9-134.3-125.6 146.3 44.1 14.1 44.8 72 72 A Q E -d 53 0A 78 -2,-0.3 2,-0.4 -20,-0.2 -18,-0.2 -0.880 15.7-169.3-106.0 131.0 43.2 14.9 41.2 73 73 A W > - 0 0 52 -20,-3.1 3,-0.7 -2,-0.5 -18,-0.5 -0.958 16.4-160.9-119.9 128.0 43.3 12.4 38.4 74 74 A K G > S+ 0 0 147 -2,-0.4 3,-2.4 1,-0.2 -19,-0.2 0.879 93.3 64.9 -70.9 -37.7 43.1 13.3 34.7 75 75 A A G 3 S+ 0 0 19 1,-0.3 -1,-0.2 -21,-0.1 -21,-0.1 0.612 94.1 61.6 -60.9 -13.0 42.0 9.7 33.8 76 76 A L G < S+ 0 0 0 -3,-0.7 -1,-0.3 -23,-0.2 67,-0.2 0.349 76.3 124.1 -94.8 2.4 38.9 10.3 35.8 77 77 A N S < S- 0 0 29 -3,-2.4 3,-0.1 1,-0.1 66,-0.1 -0.361 72.8 -92.7 -61.1 145.8 37.7 13.1 33.5 78 78 A E - 0 0 26 1,-0.1 -1,-0.1 64,-0.1 3,-0.0 -0.091 52.8 -79.4 -59.7 156.4 34.2 12.5 32.0 79 79 A I - 0 0 31 1,-0.1 2,-0.6 -3,-0.1 -1,-0.1 -0.296 47.5-117.0 -57.6 137.5 33.8 10.8 28.7 80 80 A D - 0 0 69 1,-0.1 36,-3.2 37,-0.1 32,-0.3 -0.733 22.8-169.3 -82.0 118.5 34.4 13.2 25.7 81 81 A A > - 0 0 10 -2,-0.6 3,-1.5 1,-0.3 34,-0.2 0.486 27.4-159.4 -83.6 -3.8 31.3 13.6 23.7 82 82 A G G > + 0 0 12 1,-0.3 3,-2.3 32,-0.2 -1,-0.3 -0.365 67.8 5.8 64.8-130.4 33.4 15.3 21.0 83 83 A V G 3 S+ 0 0 60 30,-2.7 -1,-0.3 1,-0.3 31,-0.1 0.754 129.1 61.6 -59.2 -23.5 31.5 17.5 18.6 84 84 A C G X S+ 0 0 0 -3,-1.5 3,-2.0 29,-0.2 -1,-0.3 0.359 74.2 139.8 -86.1 7.2 28.3 17.0 20.6 85 85 A E T < S+ 0 0 58 -3,-2.3 -64,-0.2 1,-0.3 3,-0.1 -0.290 74.0 5.7 -56.2 128.8 29.8 18.6 23.8 86 86 A E T 3 S+ 0 0 105 -66,-1.5 -1,-0.3 1,-0.3 2,-0.2 0.486 99.0 128.9 73.7 10.7 27.3 20.8 25.6 87 87 A M < - 0 0 37 -3,-2.0 -67,-2.0 -68,-0.1 -1,-0.3 -0.505 57.3-124.7 -91.4 159.3 24.3 19.8 23.4 88 88 A T > - 0 0 4 -69,-0.2 4,-1.4 -2,-0.2 -69,-0.1 -0.453 32.9-104.6 -89.9 173.3 21.0 18.6 24.7 89 89 A Y H > S+ 0 0 75 -71,-0.4 4,-2.2 2,-0.2 5,-0.2 0.898 122.3 54.9 -68.6 -36.1 19.7 15.3 23.4 90 90 A E H > S+ 0 0 32 1,-0.2 4,-2.2 117,-0.2 271,-0.3 0.940 107.1 51.3 -60.0 -45.4 17.2 17.0 21.1 91 91 A E H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.834 109.1 49.9 -61.7 -33.6 20.0 19.0 19.6 92 92 A I H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 8,-0.3 0.883 109.7 51.3 -72.3 -39.3 22.0 15.9 18.9 93 93 A Q H < S+ 0 0 18 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.884 116.7 40.3 -64.5 -39.3 19.0 14.2 17.3 94 94 A E H < S+ 0 0 10 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.926 124.9 33.5 -76.6 -47.3 18.4 17.2 15.0 95 95 A H H < S+ 0 0 80 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.629 134.4 25.1 -87.5 -16.5 22.0 18.0 14.1 96 96 A Y S X S+ 0 0 60 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 -0.416 70.6 153.2-143.7 62.2 23.5 14.5 14.1 97 97 A P H > S+ 0 0 32 0, 0.0 4,-1.5 0, 0.0 -2,-0.1 0.820 76.9 45.7 -63.0 -36.2 20.5 12.2 13.4 98 98 A E H > S+ 0 0 128 2,-0.2 4,-1.8 1,-0.1 5,-0.1 0.879 113.1 50.0 -76.5 -35.5 22.6 9.4 11.8 99 99 A E H > S+ 0 0 51 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.940 109.1 52.0 -67.3 -44.7 25.2 9.5 14.6 100 100 A F H X S+ 0 0 42 -4,-2.6 4,-1.2 -8,-0.3 3,-0.4 0.894 108.5 51.6 -58.9 -41.0 22.4 9.4 17.2 101 101 A A H X S+ 0 0 55 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.879 105.8 54.3 -64.2 -41.0 20.9 6.3 15.6 102 102 A L H X S+ 0 0 80 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.771 101.1 62.0 -64.9 -27.2 24.3 4.4 15.5 103 103 A R H < S+ 0 0 45 -4,-1.3 3,-0.5 -3,-0.4 7,-0.2 0.973 99.6 50.3 -64.3 -55.6 24.7 5.0 19.3 104 104 A D H < S+ 0 0 72 -4,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.742 105.5 62.2 -54.5 -24.7 21.6 3.0 20.3 105 105 A Q H < S- 0 0 149 -4,-0.8 2,-0.2 1,-0.3 -1,-0.2 0.954 129.8 -2.4 -66.2 -53.5 23.0 0.2 18.1 106 106 A D X + 0 0 56 -4,-1.4 4,-1.6 -3,-0.5 -1,-0.3 -0.734 64.8 176.6-144.7 89.7 26.2 -0.3 20.1 107 107 A K T 4 S+ 0 0 35 -3,-0.3 11,-0.6 -2,-0.2 -3,-0.1 0.721 78.2 61.3 -67.5 -19.9 26.5 2.1 23.0 108 108 A Y T 4 S+ 0 0 37 1,-0.2 11,-1.7 9,-0.1 10,-0.5 0.908 117.8 20.9 -76.1 -44.8 29.7 0.4 24.1 109 109 A R T 4 S+ 0 0 140 -3,-0.2 -2,-0.2 9,-0.2 -1,-0.2 0.504 93.0 117.3-103.6 -6.6 31.9 1.0 21.0 110 110 A Y < - 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