==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 20-MAR-08 3CM4 . COMPND 2 MOLECULE: CAPSULE BIOSYNTHESIS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR A.ROSANALLY,E.MORRISON,P.BERTI,M.S.JUNOP . 348 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 5.7 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 . 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 . 18 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 1 0 0 1 4 0 1 0 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 2 A Q 0 0 136 0, 0.0 2,-0.3 0, 0.0 227,-0.0 0.000 360.0 360.0 360.0 -63.1 20.5 -1.7 27.8 2 3 A N - 0 0 38 226,-0.1 204,-0.1 2,-0.1 14,-0.0 -0.917 360.0-121.3-157.4-180.0 16.9 -0.8 28.8 3 4 A N + 0 0 121 -2,-0.3 2,-0.1 12,-0.1 205,-0.1 0.153 54.6 140.3-121.3 18.9 13.2 -1.0 28.1 4 5 A N + 0 0 41 203,-0.2 11,-0.6 201,-0.2 12,-0.3 -0.379 25.0 162.1 -63.9 136.3 12.3 2.7 27.7 5 6 A E E +A 14 0A 119 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.994 18.6 169.1-152.7 153.3 9.8 3.5 24.9 6 7 A F E -A 13 0A 14 7,-1.6 7,-3.0 -2,-0.3 2,-0.4 -0.948 30.3-110.6-151.4 174.1 7.3 6.0 23.5 7 8 A K E -A 12 0A 134 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.882 7.1-160.9-110.7 138.1 5.3 6.5 20.3 8 9 A I E > S-A 11 0A 0 3,-2.6 3,-1.9 -2,-0.4 2,-0.3 -0.917 80.7 -55.9-108.9 96.4 5.6 9.1 17.6 9 10 A G T 3 S- 0 0 46 -2,-0.7 96,-0.0 116,-0.3 115,-0.0 -0.545 124.8 -15.3 61.8-122.9 2.1 8.7 16.2 10 11 A N T 3 S+ 0 0 145 -2,-0.3 2,-0.7 -3,-0.1 -1,-0.3 0.455 117.5 99.7 -86.8 0.1 2.0 5.0 15.3 11 12 A R E < -A 8 0A 24 -3,-1.9 -3,-2.6 38,-0.0 2,-0.2 -0.794 62.7-147.4-101.4 110.9 5.7 4.4 15.6 12 13 A S E -A 7 0A 33 -2,-0.7 2,-0.4 -5,-0.2 -5,-0.2 -0.529 17.1-163.4 -72.5 136.8 7.2 2.9 18.7 13 14 A V E +A 6 0A 0 -7,-3.0 -7,-1.6 -2,-0.2 2,-0.2 -0.970 33.0 80.4-129.4 136.2 10.6 4.1 19.6 14 15 A G E > S-A 5 0A 1 -2,-0.4 3,-2.0 4,-0.3 -9,-0.2 -0.828 84.4 -60.4 152.1 172.9 13.2 2.6 22.0 15 16 A Y T 3 S+ 0 0 24 -11,-0.6 -12,-0.1 1,-0.3 -1,-0.1 0.793 128.0 48.9 -52.7 -37.3 15.9 -0.0 22.6 16 17 A N T 3 S+ 0 0 86 -12,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.378 106.3 74.7 -88.0 7.7 13.5 -3.0 22.0 17 18 A H S < S- 0 0 45 -3,-2.0 -3,-0.1 1,-0.1 -4,-0.1 -0.706 98.2 -82.4-116.3 162.9 12.2 -1.5 18.8 18 19 A E - 0 0 66 -2,-0.2 -4,-0.3 -6,-0.1 246,-0.1 -0.427 60.0-100.5 -59.2 135.7 13.6 -1.1 15.3 19 20 A P - 0 0 6 0, 0.0 2,-0.5 0, 0.0 212,-0.2 -0.345 36.6-131.5 -60.7 145.0 15.9 2.0 15.2 20 21 A L E -b 231 0B 0 210,-2.8 212,-3.3 -3,-0.1 2,-0.6 -0.893 11.9-154.1-103.2 126.8 14.3 5.1 13.7 21 22 A I E -b 232 0B 9 -2,-0.5 29,-0.7 210,-0.2 2,-0.6 -0.896 7.5-153.8-100.0 122.0 16.0 7.2 11.1 22 23 A I E -bc 233 50B 0 210,-3.4 212,-1.6 -2,-0.6 2,-1.0 -0.858 7.2-146.6 -94.5 119.8 14.9 10.8 11.0 23 24 A C E -bc 234 51B 0 27,-2.2 29,-2.8 -2,-0.6 2,-1.1 -0.806 13.3-156.7 -88.0 101.8 15.4 12.3 7.5 24 25 A E E +bc 235 52B 7 210,-2.5 212,-2.6 -2,-1.0 29,-0.2 -0.704 24.0 168.8 -83.9 97.8 16.2 15.9 8.3 25 26 A I E > + 0 0 3 27,-2.1 3,-2.6 -2,-1.1 4,-0.2 0.827 25.0 156.3 -74.6 -32.4 15.3 17.9 5.2 26 27 A G E 3 S- c 0 53B 0 26,-1.3 28,-0.6 1,-0.3 3,-0.3 -0.172 73.7 -22.4 51.3-123.1 15.8 21.1 7.3 27 28 A I T > S+ 0 0 7 1,-0.2 3,-2.1 26,-0.1 -1,-0.3 0.182 105.3 112.6-101.7 12.4 16.6 24.1 5.2 28 29 A N T < + 0 0 2 -3,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.699 66.1 67.0 -60.0 -21.2 17.9 21.9 2.3 29 30 A H T > S- 0 0 2 -3,-0.3 3,-1.7 -4,-0.2 -1,-0.3 0.589 98.3-137.6 -76.7 -11.6 14.9 23.0 0.2 30 31 A E T < - 0 0 53 -3,-2.1 56,-0.1 1,-0.3 -2,-0.1 0.805 66.0 -56.8 57.1 36.3 16.3 26.6 0.0 31 32 A G T 3 S+ 0 0 26 54,-0.8 2,-0.6 1,-0.2 -1,-0.3 0.392 108.3 125.4 81.6 -1.8 12.9 28.1 0.6 32 33 A S <> - 0 0 42 -3,-1.7 4,-2.4 1,-0.2 -1,-0.2 -0.813 46.7-163.2 -96.0 117.4 11.4 26.3 -2.5 33 34 A L H > S+ 0 0 27 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.903 94.2 57.6 -63.5 -39.4 8.3 24.2 -1.8 34 35 A K H > S+ 0 0 143 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 108.4 45.7 -51.1 -49.2 8.8 22.5 -5.2 35 36 A T H > S+ 0 0 21 -6,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.921 109.7 54.7 -65.1 -45.5 12.3 21.4 -4.0 36 37 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -7,-0.2 -1,-0.2 0.893 108.3 49.7 -50.2 -44.9 10.9 20.3 -0.6 37 38 A F H X S+ 0 0 51 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.933 108.0 52.6 -65.5 -44.8 8.4 18.1 -2.4 38 39 A E H X S+ 0 0 53 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.872 111.9 46.4 -55.0 -40.2 11.1 16.5 -4.6 39 40 A M H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.825 111.0 51.3 -75.4 -32.9 13.1 15.7 -1.5 40 41 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.897 109.4 52.0 -65.6 -42.5 10.0 14.3 0.3 41 42 A D H X S+ 0 0 49 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.929 109.9 48.6 -56.6 -47.4 9.4 12.1 -2.8 42 43 A A H X S+ 0 0 14 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.874 111.7 49.6 -63.3 -38.4 13.0 10.9 -2.6 43 44 A A H X>S+ 0 0 0 -4,-1.8 5,-2.7 2,-0.2 4,-0.5 0.938 112.5 47.0 -64.9 -47.9 12.6 10.1 1.1 44 45 A Y H ><5S+ 0 0 113 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.952 111.5 50.2 -57.5 -51.9 9.4 8.2 0.6 45 46 A N H 3<5S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.730 107.4 54.7 -65.3 -23.6 10.8 6.2 -2.4 46 47 A A H 3<5S- 0 0 8 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.543 124.4-103.3 -83.1 -7.5 13.8 5.3 -0.3 47 48 A G T <<5 + 0 0 31 -3,-1.9 -3,-0.2 -4,-0.5 -2,-0.2 0.659 58.8 170.1 94.6 19.8 11.6 3.9 2.5 48 49 A A < - 0 0 8 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.1 -0.309 22.0-167.3 -64.6 146.7 11.8 6.7 5.0 49 50 A E S S+ 0 0 67 -28,-0.5 56,-2.6 1,-0.3 2,-0.4 0.725 70.8 32.8-101.8 -36.3 9.4 6.7 7.9 50 51 A V E -cd 22 105B 0 -29,-0.7 -27,-2.2 54,-0.2 2,-0.5 -0.992 57.7-165.5-131.8 132.1 9.9 10.2 9.3 51 52 A V E -cd 23 106B 1 54,-2.7 56,-2.2 -2,-0.4 2,-0.4 -0.984 13.2-158.5-111.7 127.4 10.7 13.5 7.7 52 53 A K E -cd 24 107B 1 -29,-2.8 -27,-2.1 -2,-0.5 -26,-1.3 -0.885 8.5-173.3-105.1 137.6 11.9 16.4 9.9 53 54 A H E -cd 26 108B 2 54,-2.0 56,-1.4 -2,-0.4 2,-0.4 -0.512 22.4-123.4-107.9 177.7 11.6 20.1 8.9 54 55 A Q E - d 0 109B 19 -28,-0.6 2,-0.7 54,-0.2 54,-0.0 -0.999 18.7-142.4-123.1 134.1 12.9 23.2 10.6 55 56 A T E - d 0 110B 0 54,-2.9 56,-1.3 -2,-0.4 2,-0.5 -0.851 21.7-175.1-104.2 110.6 10.4 25.9 11.5 56 57 A H + 0 0 7 -2,-0.7 2,-0.5 31,-0.3 3,-0.1 -0.924 22.1 164.9-117.0 116.3 11.8 29.4 10.9 57 58 A I >> - 0 0 30 -2,-0.5 3,-1.0 1,-0.1 4,-1.0 -0.895 24.1-162.1-125.5 92.7 10.0 32.6 11.8 58 59 A V H 3> S+ 0 0 7 -2,-0.5 4,-1.9 1,-0.3 3,-0.2 0.762 80.0 56.1 -58.9 -35.3 13.0 35.0 11.6 59 60 A E H 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.2 5,-0.0 0.858 114.4 37.9 -64.8 -38.5 11.5 37.9 13.6 60 61 A D H <4 S+ 0 0 56 -3,-1.0 53,-0.4 1,-0.2 -1,-0.2 0.582 119.3 50.0 -88.7 -11.0 10.7 35.8 16.7 61 62 A E H < S+ 0 0 43 -4,-1.0 2,-0.4 -3,-0.2 -2,-0.2 0.726 114.5 32.5 -99.4 -30.3 13.9 33.7 16.4 62 63 A M < - 0 0 27 -4,-1.9 -1,-0.2 -5,-0.2 2,-0.2 -0.988 61.0-146.4-138.7 137.5 16.5 36.4 16.0 63 64 A S > - 0 0 74 -2,-0.4 3,-2.2 -3,-0.1 4,-0.2 -0.456 51.9 -87.5 -87.1 174.1 17.1 40.0 17.2 64 65 A D G > S+ 0 0 108 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.768 121.9 76.4 -59.5 -24.1 18.9 42.4 14.9 65 66 A E G > S+ 0 0 134 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.815 82.6 67.7 -53.7 -31.2 22.2 41.2 16.3 66 67 A A G X S+ 0 0 11 -3,-2.2 13,-1.3 1,-0.3 3,-0.7 0.679 85.7 68.2 -66.6 -18.0 21.8 38.1 14.1 67 68 A K G < S+ 0 0 89 -3,-2.0 -1,-0.3 -4,-0.2 10,-0.2 0.495 102.7 47.6 -76.2 -5.4 22.2 40.2 10.9 68 69 A Q G < S+ 0 0 156 -3,-1.8 2,-0.4 -4,-0.2 -1,-0.2 0.363 96.7 84.9-113.4 -2.3 25.9 40.7 12.0 69 70 A V < - 0 0 79 -3,-0.7 9,-2.5 -4,-0.2 10,-0.4 -0.908 58.7-156.5-112.6 134.3 26.8 37.0 12.9 70 71 A I - 0 0 108 -2,-0.4 7,-0.2 7,-0.3 -3,-0.0 -0.895 15.8-129.5-109.2 130.7 28.0 34.4 10.4 71 72 A P > - 0 0 29 0, 0.0 3,-1.1 0, 0.0 5,-0.0 -0.233 26.1-108.9 -70.2 165.6 27.7 30.5 11.0 72 73 A G T 3 S+ 0 0 89 1,-0.2 112,-0.0 3,-0.0 -2,-0.0 0.834 116.5 44.2 -64.5 -37.9 30.6 28.1 10.6 73 74 A N T 3 S+ 0 0 43 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.007 112.2 61.2 -98.3 28.1 29.3 26.5 7.4 74 75 A A < - 0 0 33 -3,-1.1 4,-0.1 1,-0.0 -4,-0.1 -0.917 60.9-146.5-148.3 170.8 28.4 29.7 5.6 75 76 A D S S+ 0 0 138 -2,-0.3 2,-0.2 2,-0.1 -5,-0.1 0.339 82.1 57.1-123.9 -1.6 29.6 33.1 4.3 76 77 A V S S- 0 0 32 1,-0.1 -8,-0.1 -7,-0.0 -2,-0.0 -0.754 98.4 -71.1-120.9 174.0 26.6 35.3 5.0 77 78 A S > - 0 0 16 -2,-0.2 4,-2.1 -10,-0.2 -7,-0.3 -0.277 35.2-123.4 -64.9 148.7 24.7 36.2 8.2 78 79 A I H > S+ 0 0 47 -9,-2.5 4,-2.4 -12,-0.5 5,-0.2 0.861 114.5 59.3 -56.8 -34.7 22.4 33.6 9.9 79 80 A Y H > S+ 0 0 20 -13,-1.3 4,-2.1 -10,-0.4 -1,-0.2 0.922 105.7 47.4 -61.6 -43.1 19.6 36.1 9.5 80 81 A E H > S+ 0 0 103 -14,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.924 111.8 49.0 -63.7 -47.2 20.1 36.2 5.7 81 82 A I H X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.917 113.7 46.4 -57.8 -47.8 20.2 32.3 5.4 82 83 A M H X S+ 0 0 18 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.842 112.4 49.5 -68.6 -34.4 17.0 31.9 7.5 83 84 A E H < S+ 0 0 111 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.927 115.2 45.0 -66.1 -44.5 15.2 34.7 5.6 84 85 A R H < S+ 0 0 103 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.871 123.1 35.3 -61.3 -40.1 16.2 33.0 2.2 85 86 A C H < S+ 0 0 0 -4,-2.3 -54,-0.8 -5,-0.2 -2,-0.2 0.675 87.6 110.8 -96.7 -20.9 15.3 29.5 3.4 86 87 A A < - 0 0 30 -4,-1.9 2,-0.4 -5,-0.2 -31,-0.1 -0.324 56.0-142.9 -67.8 132.4 12.3 29.8 5.6 87 88 A L - 0 0 7 -2,-0.1 -31,-0.3 1,-0.1 -55,-0.1 -0.760 21.7-124.9 -86.4 139.3 8.9 28.5 4.5 88 89 A N > - 0 0 83 -2,-0.4 4,-2.4 -57,-0.2 5,-0.2 -0.177 33.0 -92.8 -76.3 176.7 5.9 30.6 5.5 89 90 A E H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.926 124.4 50.3 -60.6 -46.2 2.9 29.2 7.4 90 91 A E H > S+ 0 0 139 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.882 113.7 45.4 -58.8 -41.2 0.9 28.4 4.3 91 92 A D H > S+ 0 0 40 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.863 110.8 51.9 -72.5 -39.2 3.8 26.5 2.7 92 93 A E H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.869 107.4 53.2 -66.4 -36.6 4.8 24.6 5.8 93 94 A I H X S+ 0 0 83 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.913 109.4 49.2 -61.7 -43.3 1.2 23.4 6.2 94 95 A K H X S+ 0 0 113 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.869 109.7 53.1 -60.7 -38.1 1.4 22.2 2.5 95 96 A L H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.932 108.9 47.4 -64.0 -45.7 4.6 20.4 3.4 96 97 A K H X S+ 0 0 31 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.919 112.4 50.2 -59.6 -45.4 3.1 18.6 6.4 97 98 A E H X S+ 0 0 121 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.886 110.9 49.4 -60.3 -41.3 0.2 17.5 4.3 98 99 A Y H X S+ 0 0 43 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.907 109.0 50.8 -66.5 -45.3 2.4 16.2 1.5 99 100 A V H ><>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 3,-0.8 0.922 114.5 44.7 -57.6 -44.8 4.6 14.2 3.9 100 101 A E H ><5S+ 0 0 88 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.791 103.3 64.1 -73.3 -27.6 1.6 12.6 5.4 101 102 A S H 3<5S+ 0 0 62 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.726 102.1 52.8 -64.2 -21.0 0.1 12.1 1.9 102 103 A K T <<5S- 0 0 66 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.308 124.0-104.0 -97.7 7.4 3.1 9.7 1.4 103 104 A G T < 5S+ 0 0 73 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.566 81.7 125.1 86.3 9.4 2.4 7.7 4.5 104 105 A M < - 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