==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-03 1RYB . COMPND 2 MOLECULE: CRS2; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR G.J.OSTHEIMER,A.BARKAN,B.W.MATTHEWS . 186 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 10.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 13 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 1 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 . 1 0 1 1 0 0 0 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 0 1 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 Y 0 0 122 0, 0.0 55,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 53.9 23.5 16.2 44.4 2 2 A T - 0 0 63 1,-0.1 81,-0.1 54,-0.0 80,-0.1 -0.584 360.0-124.0 -74.7 127.8 20.2 18.1 44.7 3 3 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 55,-0.2 -0.232 14.1-137.4 -74.1 166.4 20.4 20.4 47.8 4 4 A W E -a 58 0A 14 53,-1.7 55,-2.6 79,-0.1 2,-0.5 -0.896 2.0-148.4-115.7 152.3 18.2 20.7 50.9 5 5 A L E -ab 59 88A 0 82,-2.8 84,-2.8 -2,-0.3 2,-0.7 -0.986 13.5-165.9-121.3 115.5 16.9 23.7 52.6 6 6 A I E -ab 60 89A 0 53,-3.1 55,-3.1 -2,-0.5 2,-0.5 -0.905 11.7-176.4-107.2 109.3 16.4 23.1 56.3 7 7 A A E -ab 61 90A 0 82,-3.3 84,-2.5 -2,-0.7 2,-0.4 -0.909 14.8-163.3-117.4 129.9 14.4 25.8 57.9 8 8 A G E - b 0 91A 0 53,-2.2 2,-0.2 -2,-0.5 84,-0.2 -0.926 21.9-133.4-109.1 130.7 13.5 26.3 61.5 9 9 A L + 0 0 0 82,-2.3 16,-1.0 -2,-0.4 15,-0.6 -0.578 44.8 113.4 -84.4 150.3 10.6 28.7 62.4 10 10 A G - 0 0 0 -2,-0.2 56,-0.3 14,-0.2 55,-0.2 -0.971 58.6 -82.6 173.8-177.9 10.6 31.4 65.0 11 11 A N - 0 0 13 -2,-0.3 2,-0.2 55,-0.2 5,-0.1 -0.843 46.1-111.3-109.6 152.5 10.5 35.1 65.7 12 12 A P + 0 0 19 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.508 65.8 39.0 -89.0 145.4 13.5 37.3 65.6 13 13 A G S >> S- 0 0 44 -2,-0.2 3,-1.7 1,-0.1 4,-0.5 -0.146 88.1 -71.4 111.2 159.0 15.2 39.0 68.4 14 14 A N G >4 S+ 0 0 156 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.814 118.8 66.6 -56.3 -39.0 16.4 38.6 72.0 15 15 A K G 34 S+ 0 0 158 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.725 105.2 44.1 -55.1 -25.6 12.9 38.8 73.4 16 16 A Y G X4 S+ 0 0 30 -3,-1.7 3,-2.4 -5,-0.1 -1,-0.2 0.491 79.5 124.9-102.1 -8.0 12.0 35.4 71.7 17 17 A Y T << S+ 0 0 168 -3,-1.0 3,-0.1 -4,-0.5 6,-0.1 -0.300 82.6 7.7 -60.1 130.1 14.9 33.5 72.5 18 18 A G T 3 S+ 0 0 8 1,-0.3 135,-0.9 4,-0.1 -1,-0.3 0.368 94.8 138.5 83.2 -5.4 14.1 30.3 74.3 19 19 A T B X -G 152 0B 3 -3,-2.4 3,-1.7 133,-0.2 -1,-0.3 -0.318 65.0-115.9 -75.4 152.8 10.3 30.8 73.7 20 20 A R G > S+ 0 0 18 131,-2.3 3,-1.8 128,-0.4 4,-0.2 0.892 114.8 56.8 -56.4 -44.5 8.2 27.8 72.7 21 21 A H G 3 S+ 0 0 19 128,-2.6 -1,-0.3 1,-0.3 3,-0.3 0.578 104.5 56.6 -66.0 -8.6 7.4 29.2 69.3 22 22 A N G X> + 0 0 7 -3,-1.7 4,-1.5 127,-0.3 3,-1.0 0.282 69.8 106.9-101.1 6.2 11.1 29.4 68.6 23 23 A V H <> S+ 0 0 0 -3,-1.8 4,-2.0 1,-0.3 -1,-0.1 0.808 73.3 62.1 -60.2 -28.8 12.0 25.8 69.2 24 24 A G H 3> S+ 0 0 0 -15,-0.6 4,-2.3 -3,-0.3 -1,-0.3 0.869 101.3 52.9 -59.5 -36.9 12.4 25.3 65.4 25 25 A F H <> S+ 0 0 15 -3,-1.0 4,-2.7 -16,-1.0 5,-0.2 0.926 106.7 53.1 -60.5 -43.6 15.2 27.8 65.7 26 26 A E H X S+ 0 0 29 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.911 108.8 49.6 -58.7 -43.6 16.8 25.7 68.5 27 27 A M H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.939 111.9 46.1 -63.0 -49.9 16.7 22.6 66.3 28 28 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.882 110.2 54.9 -61.8 -35.2 18.3 24.2 63.3 29 29 A D H X S+ 0 0 57 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.909 110.3 47.1 -61.0 -38.8 20.9 25.8 65.6 30 30 A R H X S+ 0 0 56 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.892 111.9 48.6 -71.8 -39.2 21.7 22.4 66.8 31 31 A I H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.956 111.4 51.1 -64.8 -44.4 21.9 20.9 63.3 32 32 A A H <>S+ 0 0 4 -4,-3.0 5,-2.9 1,-0.2 4,-0.4 0.934 110.5 48.8 -59.6 -44.5 24.1 23.7 62.2 33 33 A A H ><5S+ 0 0 72 -4,-2.1 3,-1.3 -5,-0.3 -1,-0.2 0.944 110.3 50.7 -59.5 -50.3 26.4 23.1 65.1 34 34 A E H 3<5S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.816 114.2 43.5 -60.6 -30.3 26.6 19.4 64.5 35 35 A E T 3<5S- 0 0 37 -4,-2.3 17,-0.4 -5,-0.2 -1,-0.2 0.292 114.6-110.2-102.2 11.9 27.4 19.8 60.8 36 36 A G T < 5 + 0 0 67 -3,-1.3 2,-0.5 -4,-0.4 -3,-0.2 0.870 66.0 148.4 66.8 43.8 29.9 22.6 61.2 37 37 A I < - 0 0 12 -5,-2.9 2,-0.5 -6,-0.2 -1,-0.2 -0.888 38.4-150.0-112.7 132.5 27.8 25.2 59.6 38 38 A T - 0 0 111 -2,-0.5 2,-1.5 12,-0.3 12,-0.4 -0.865 10.0-145.0-102.0 124.9 28.0 28.8 60.6 39 39 A M + 0 0 30 -2,-0.5 10,-0.2 1,-0.2 -1,-0.1 -0.397 58.9 120.2 -87.2 65.1 24.7 30.7 60.2 40 40 A N + 0 0 126 -2,-1.5 2,-0.5 7,-0.1 -1,-0.2 0.203 33.8 107.0-118.1 24.9 26.1 34.1 59.2 41 41 A T E -C 48 0A 50 7,-2.9 7,-2.5 -3,-0.2 2,-0.6 -0.863 53.9-152.3-103.0 131.3 24.8 34.9 55.8 42 42 A I E +C 47 0A 145 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.926 37.7 134.2-100.5 119.6 22.1 37.5 55.6 43 43 A Q E > +C 46 0A 42 3,-1.8 3,-1.7 -2,-0.6 34,-0.1 -0.958 59.1 4.7-164.4 143.1 19.8 37.0 52.6 44 44 A S T 3 S- 0 0 35 -2,-0.3 33,-0.2 1,-0.3 20,-0.1 0.877 127.2 -52.7 46.4 52.1 16.0 37.0 51.8 45 45 A K T 3 S+ 0 0 116 1,-0.2 19,-3.2 18,-0.1 2,-0.3 0.698 119.9 97.1 59.6 27.8 14.9 38.1 55.3 46 46 A S E < S-CD 43 63A 4 -3,-1.7 -3,-1.8 17,-0.3 2,-0.4 -0.889 72.2-127.4-138.5 168.6 16.9 35.4 56.9 47 47 A L E +CD 42 62A 49 15,-2.5 15,-2.7 -2,-0.3 2,-0.3 -0.916 46.1 165.2-103.7 134.2 20.0 34.2 58.6 48 48 A L E -CD 41 61A 0 -7,-2.5 -7,-2.9 -2,-0.4 2,-0.3 -0.983 27.4-154.3-148.1 169.2 21.4 31.2 56.9 49 49 A G E - D 0 60A 0 11,-2.0 11,-2.7 -2,-0.3 2,-0.4 -0.984 13.1-142.1-140.6 150.0 24.4 29.0 56.5 50 50 A I E + D 0 59A 101 -12,-0.4 -12,-0.3 -2,-0.3 2,-0.2 -0.903 44.0 108.0-117.7 133.3 25.6 26.8 53.7 51 51 A G E - D 0 58A 26 7,-2.6 7,-2.5 -2,-0.4 2,-0.3 -0.788 52.7 -89.7-166.4-148.7 27.3 23.5 54.2 52 52 A S E - D 0 57A 56 -17,-0.4 2,-0.5 5,-0.3 3,-0.1 -0.988 4.6-144.6-147.5 159.9 26.6 19.8 53.8 53 53 A I E > S- D 0 56A 0 3,-2.6 3,-2.9 -2,-0.3 2,-0.1 -0.999 85.9 -41.3-119.3 110.6 25.3 16.7 55.5 54 54 A G T 3 S- 0 0 45 -2,-0.5 123,-0.0 1,-0.3 119,-0.0 -0.411 126.5 -27.3 62.9-136.9 27.4 13.8 54.3 55 55 A E T 3 S+ 0 0 186 -3,-0.1 -1,-0.3 2,-0.1 122,-0.0 0.310 117.6 105.2 -90.6 3.8 27.8 14.5 50.5 56 56 A V E < - D 0 53A 28 -3,-2.9 -3,-2.6 -53,-0.0 2,-0.2 -0.777 68.0-136.5 -94.5 125.6 24.5 16.4 50.4 57 57 A P E + D 0 52A 46 0, 0.0 -53,-1.7 0, 0.0 2,-0.3 -0.510 32.8 173.5 -72.2 138.6 24.7 20.2 50.1 58 58 A V E -aD 4 51A 4 -7,-2.5 -7,-2.6 -55,-0.2 2,-0.4 -0.973 28.4-142.8-140.9 161.0 22.2 21.9 52.4 59 59 A L E -aD 5 50A 4 -55,-2.6 -53,-3.1 -2,-0.3 2,-0.5 -0.959 14.1-152.4-119.9 139.5 21.3 25.4 53.5 60 60 A V E -aD 6 49A 0 -11,-2.7 -11,-2.0 -2,-0.4 2,-0.3 -0.981 22.1-170.7-110.3 128.3 20.2 25.9 57.1 61 61 A V E -aD 7 48A 0 -55,-3.1 -53,-2.2 -2,-0.5 -13,-0.2 -0.970 28.4-175.9-134.2 140.1 17.9 28.8 57.6 62 62 A K E - D 0 47A 31 -15,-2.7 -15,-2.5 -2,-0.3 -53,-0.1 -0.957 30.2-140.3-125.9 101.3 16.3 30.9 60.4 63 63 A P E - D 0 46A 0 0, 0.0 -17,-0.3 0, 0.0 3,-0.2 -0.406 9.8-161.8 -63.6 139.4 13.9 33.5 58.8 64 64 A Q + 0 0 64 -19,-3.2 -18,-0.1 1,-0.1 -19,-0.1 -0.254 65.9 98.3-113.0 41.2 14.1 36.8 60.5 65 65 A S S S- 0 0 14 -55,-0.2 -1,-0.1 1,-0.2 -54,-0.1 0.413 97.3 -95.1-104.1 -5.5 10.7 38.0 59.2 66 66 A Y > - 0 0 119 -56,-0.3 3,-2.2 -3,-0.2 -1,-0.2 0.158 46.2 -82.8 83.5 149.3 8.6 37.2 62.2 67 67 A M G > S+ 0 0 3 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.849 126.9 57.9 -49.5 -41.4 6.7 33.9 62.3 68 68 A N G 3 S+ 0 0 77 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.614 109.5 44.6 -70.0 -18.5 3.8 35.1 60.2 69 69 A Y G X> S+ 0 0 114 -3,-2.2 3,-1.0 1,-0.1 4,-0.7 0.141 72.4 120.7-115.0 24.6 6.0 36.0 57.3 70 70 A S H X> S+ 0 0 0 -3,-1.6 4,-2.5 1,-0.3 3,-0.9 0.809 72.8 56.6 -54.5 -37.6 8.2 32.9 57.2 71 71 A G H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.846 96.0 64.2 -68.0 -31.3 7.2 32.1 53.7 72 72 A E H <4 S+ 0 0 67 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.772 111.6 37.1 -58.7 -32.3 8.3 35.4 52.5 73 73 A A H S+ 0 0 65 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.822 111.6 52.9 -60.7 -34.5 12.7 33.1 47.6 77 77 A L H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 6,-0.2 0.882 106.7 50.9 -66.3 -43.5 15.5 31.1 49.0 78 78 A A H <>S+ 0 0 10 -4,-2.3 5,-2.6 2,-0.2 4,-0.3 0.877 113.6 47.8 -60.6 -34.7 14.3 27.8 47.6 79 79 A A H ><5S+ 0 0 77 -4,-1.7 3,-1.5 -5,-0.2 -2,-0.2 0.977 112.1 48.4 -70.7 -48.8 14.1 29.6 44.2 80 80 A Y H 3<5S+ 0 0 156 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.873 119.5 36.6 -55.5 -49.3 17.5 31.1 44.5 81 81 A Y T 3<5S- 0 0 56 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.292 107.2-121.2 -91.5 5.1 19.2 27.9 45.5 82 82 A Q T < 5 + 0 0 166 -3,-1.5 -3,-0.2 -4,-0.3 -4,-0.1 0.895 49.0 168.4 57.5 44.1 17.0 25.6 43.2 83 83 A V < - 0 0 9 -5,-2.6 -1,-0.2 -6,-0.2 -79,-0.1 -0.816 30.0-131.3 -90.3 122.1 15.8 23.5 46.1 84 84 A P > - 0 0 27 0, 0.0 3,-3.2 0, 0.0 -79,-0.2 -0.374 22.6-108.2 -69.0 153.7 12.9 21.2 45.1 85 85 A L G > S+ 0 0 24 1,-0.3 3,-2.0 2,-0.2 -2,-0.0 0.850 117.7 58.8 -41.5 -49.9 9.8 21.1 47.1 86 86 A R G 3 S+ 0 0 152 1,-0.3 -1,-0.3 43,-0.2 43,-0.0 0.596 105.9 49.8 -64.4 -12.2 10.6 17.6 48.4 87 87 A H G < S+ 0 0 27 -3,-3.2 -82,-2.8 42,-0.1 2,-0.9 0.095 80.4 103.7-113.7 14.4 13.8 18.9 49.9 88 88 A I E < -b 5 0A 3 -3,-2.0 2,-0.6 -84,-0.2 -82,-0.2 -0.877 57.9-165.2 -97.8 102.8 12.4 21.9 51.7 89 89 A L E -b 6 0A 0 -84,-2.8 -82,-3.3 -2,-0.9 2,-0.5 -0.831 3.9-160.5 -98.0 122.1 12.4 20.7 55.3 90 90 A L E -be 7 131A 0 40,-2.5 42,-2.8 -2,-0.6 2,-0.4 -0.837 4.9-169.9-101.9 134.7 10.3 22.7 57.8 91 91 A I E +be 8 132A 0 -84,-2.5 -82,-2.3 -2,-0.5 2,-0.3 -0.976 24.8 139.5-121.1 126.4 11.0 22.4 61.5 92 92 A Y E - e 0 133A 9 40,-1.8 42,-2.6 -2,-0.4 2,-0.3 -0.949 51.9 -79.4-162.5 168.2 8.6 24.0 64.0 93 93 A D E - e 0 134A 2 -2,-0.3 2,-0.5 -72,-0.3 42,-0.2 -0.585 36.9-163.0 -75.8 137.4 6.6 23.8 67.3 94 94 A D E > - e 0 135A 23 40,-2.7 42,-2.2 -2,-0.3 3,-1.2 -0.952 13.7-167.7-129.9 109.9 3.5 21.7 67.3 95 95 A T T 3 S+ 0 0 55 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.551 83.8 71.2 -73.2 -2.4 0.9 22.1 70.1 96 96 A S T 3 S+ 0 0 93 2,-0.1 -1,-0.2 41,-0.1 42,-0.1 0.543 93.3 60.8 -93.2 0.2 -0.8 18.9 69.0 97 97 A L S < S- 0 0 24 -3,-1.2 40,-2.5 40,-0.1 39,-0.6 -0.910 96.1 -96.2-122.0 151.0 1.9 16.7 70.2 98 98 A P > - 0 0 84 0, 0.0 3,-2.7 0, 0.0 37,-0.2 -0.187 58.4 -73.5 -64.7 155.0 3.2 16.3 73.7 99 99 A N T 3 S+ 0 0 24 1,-0.3 37,-0.3 37,-0.3 3,-0.1 -0.094 117.3 7.5 -50.6 128.3 6.2 18.3 74.8 100 100 A G T 3 S+ 0 0 9 35,-2.9 2,-0.4 1,-0.3 -1,-0.3 0.430 92.8 130.2 86.5 -10.3 9.4 17.0 73.5 101 101 A V < - 0 0 64 -3,-2.7 34,-3.3 -4,-0.0 2,-0.3 -0.681 43.7-151.8 -82.2 133.4 7.8 14.4 71.1 102 102 A L E -F 134 0A 15 -2,-0.4 2,-0.4 32,-0.2 83,-0.3 -0.745 13.9-177.8 -99.5 154.2 9.0 14.5 67.5 103 103 A R E -F 133 0A 129 30,-2.1 30,-2.8 -2,-0.3 2,-0.5 -0.996 13.5-151.3-147.3 143.2 7.2 13.6 64.4 104 104 A L E +F 132 0A 19 79,-0.4 79,-0.5 -2,-0.4 2,-0.3 -0.954 18.6 173.7-115.7 129.7 8.2 13.5 60.8 105 105 A Q E -F 131 0A 53 26,-2.5 26,-2.7 -2,-0.5 3,-0.1 -0.934 27.3-150.7-127.7 155.0 5.7 14.0 57.9 106 106 A K S S- 0 0 73 -2,-0.3 2,-0.3 24,-0.2 -1,-0.1 0.457 81.3 -5.7-105.0 -0.3 6.1 14.3 54.2 107 107 A K S S+ 0 0 134 21,-0.2 2,-0.2 24,-0.1 21,-0.2 -0.954 72.2 126.3-169.6 179.7 3.2 16.4 53.6 108 108 A G - 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