==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-MAR-01 1I8D . COMPND 2 MOLECULE: RIBOFLAVIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.-I.LIAO,Z.WAWRZAK,J.C.CALABRESE,P.V.VIITANEN,D.B.JORDAN . 592 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26768.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 205 34.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 3.0 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 . 74 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 5 0 0 0 0 0 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 3 7 15 2 4 3 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 6 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 68 0, 0.0 87,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 155.7 -5.0 37.9 32.5 2 2 A F B -A 99 0A 4 97,-2.8 97,-2.9 85,-0.2 85,-0.1 -0.896 360.0-140.6-137.2 163.6 -6.1 39.8 29.4 3 3 A T - 0 0 13 -2,-0.3 94,-1.8 2,-0.2 93,-0.3 0.646 40.8-118.6-100.8 -21.8 -8.2 39.1 26.3 4 4 A G S S+ 0 0 2 1,-0.3 142,-2.6 92,-0.2 2,-0.9 0.500 77.1 125.2 92.6 3.8 -6.1 40.9 23.6 5 5 A I - 0 0 53 140,-0.2 -1,-0.3 92,-0.1 -2,-0.2 -0.862 63.0-133.8 -96.3 100.7 -9.0 43.2 23.0 6 6 A V - 0 0 13 -2,-0.9 79,-0.2 1,-0.2 3,-0.1 -0.366 17.8-166.3 -59.7 131.2 -7.5 46.6 23.4 7 7 A Q - 0 0 69 77,-2.0 2,-0.3 1,-0.3 78,-0.2 0.595 64.8 -35.1 -94.9 -12.2 -9.6 48.9 25.5 8 8 A G E -B 84 0B 12 76,-1.4 76,-3.7 2,-0.0 2,-0.4 -0.977 51.0-104.6 174.3 174.7 -7.7 51.9 24.5 9 9 A T E -B 83 0B 43 -2,-0.3 2,-0.4 74,-0.3 74,-0.2 -0.973 32.5-162.7-120.7 130.9 -4.5 53.7 23.5 10 10 A A E -B 82 0B 0 72,-2.6 72,-2.9 -2,-0.4 2,-0.3 -0.955 14.7-128.1-118.8 144.1 -2.9 55.9 26.1 11 11 A K E -BC 81 27B 57 16,-1.0 16,-2.2 -2,-0.4 2,-0.7 -0.653 24.0-116.0 -90.2 144.1 -0.2 58.6 25.4 12 12 A L E + C 0 26B 2 68,-3.5 67,-3.9 -2,-0.3 68,-0.2 -0.751 34.8 176.4 -83.1 113.6 3.0 58.7 27.4 13 13 A V E - 0 0 43 12,-3.1 2,-0.3 -2,-0.7 13,-0.2 0.684 56.5 -5.4 -93.6 -25.7 3.0 61.9 29.4 14 14 A S E - C 0 25B 44 11,-1.0 11,-2.2 63,-0.1 2,-0.4 -0.957 49.3-145.5-167.5 153.3 6.2 61.7 31.4 15 15 A I E - C 0 24B 51 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.989 7.5-165.5-128.2 127.4 9.1 59.5 32.4 16 16 A D E - C 0 23B 84 7,-1.9 7,-2.7 -2,-0.4 2,-0.3 -0.920 21.3-147.8-112.2 104.2 10.7 59.6 35.8 17 17 A E E + C 0 22B 90 -2,-0.7 5,-0.2 5,-0.2 -2,-0.0 -0.560 21.2 172.0 -82.8 138.1 14.0 57.9 35.6 18 18 A K - 0 0 100 3,-2.1 3,-0.2 -2,-0.3 -2,-0.0 -0.831 44.0-105.3-133.4 168.8 15.6 55.9 38.4 19 19 A P S S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.885 117.7 22.1 -59.4 -44.8 18.6 53.7 38.8 20 20 A N S S+ 0 0 125 1,-0.1 45,-1.3 44,-0.0 2,-0.3 0.246 132.2 6.4-108.6 5.5 16.7 50.4 39.0 21 21 A F E - D 0 64B 62 43,-0.2 -3,-2.1 -3,-0.2 2,-0.3 -0.985 62.4-123.5-171.7 176.9 13.5 51.4 37.2 22 22 A R E -CD 17 63B 26 41,-1.6 41,-3.0 -2,-0.3 2,-0.5 -0.978 20.8-129.8-136.7 142.8 11.6 54.0 35.3 23 23 A T E -CD 16 62B 21 -7,-2.7 -7,-1.9 -2,-0.3 2,-0.6 -0.850 19.2-161.8-102.6 131.8 8.3 55.7 36.0 24 24 A H E -CD 15 61B 2 37,-2.8 37,-1.0 -2,-0.5 2,-0.6 -0.940 3.1-167.1-112.8 122.8 5.7 55.8 33.3 25 25 A V E -CD 14 60B 20 -11,-2.2 -12,-3.1 -2,-0.6 -11,-1.0 -0.912 11.2-174.3-110.0 120.1 2.8 58.2 33.4 26 26 A V E -CD 12 59B 2 33,-2.4 33,-2.7 -2,-0.6 2,-1.1 -0.863 27.7-135.3-116.2 147.5 0.0 57.7 30.9 27 27 A E E -CD 11 58B 68 -16,-2.2 -16,-1.0 -2,-0.4 31,-0.3 -0.813 38.2-159.2 -92.9 100.1 -3.0 59.7 30.1 28 28 A L - 0 0 3 29,-2.7 -18,-0.1 -2,-1.1 5,-0.1 -0.605 23.6 -88.4 -90.6 150.4 -5.6 57.0 30.0 29 29 A P > - 0 0 31 0, 0.0 3,-3.0 0, 0.0 4,-0.3 -0.213 36.4-124.3 -53.6 130.4 -9.0 56.9 28.3 30 30 A D G >> S+ 0 0 112 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.825 108.2 59.3 -47.1 -40.3 -11.7 58.2 30.5 31 31 A H G 34 S+ 0 0 133 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.711 97.2 64.6 -66.7 -13.6 -13.8 55.0 30.3 32 32 A M G <4 S+ 0 0 2 -3,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.574 88.2 71.1 -84.7 -7.2 -10.9 53.1 31.7 33 33 A L T X4 + 0 0 45 -3,-1.7 3,-3.0 -4,-0.3 -1,-0.2 0.883 64.7 100.6 -78.0 -44.3 -11.0 54.9 35.0 34 34 A D T 3< S+ 0 0 149 -4,-0.5 3,-0.1 1,-0.3 -3,-0.0 -0.268 100.9 6.8 -53.6 120.9 -14.2 53.6 36.7 35 35 A G T 3 S+ 0 0 48 1,-0.3 2,-0.6 -2,-0.1 -1,-0.3 0.246 94.9 141.3 91.9 -8.7 -13.2 50.9 39.2 36 36 A L < + 0 0 12 -3,-3.0 -1,-0.3 4,-0.0 2,-0.3 -0.542 23.2 167.9 -72.3 117.7 -9.6 51.7 38.7 37 37 A E > - 0 0 142 -2,-0.6 3,-1.6 -3,-0.1 14,-0.3 -0.846 42.4 -82.9-125.4 161.3 -7.7 51.5 41.9 38 38 A T T 3 S+ 0 0 93 -2,-0.3 14,-0.2 1,-0.2 3,-0.1 -0.322 113.8 35.5 -61.9 150.9 -4.0 51.5 42.8 39 39 A G T 3 S+ 0 0 54 12,-2.8 -1,-0.2 1,-0.3 13,-0.1 0.334 86.7 135.3 88.1 -8.9 -2.4 48.1 42.5 40 40 A A < - 0 0 21 -3,-1.6 11,-3.2 10,-0.1 2,-0.5 -0.374 56.6-117.6 -70.6 159.0 -4.5 47.2 39.6 41 41 A S E +E 50 0B 33 9,-0.3 46,-1.6 -3,-0.1 2,-0.4 -0.873 32.7 177.2-103.8 122.4 -2.9 45.5 36.6 42 42 A V E -EF 49 86B 1 7,-3.1 7,-3.7 -2,-0.5 2,-0.5 -0.963 25.0-130.1-122.4 139.9 -2.9 47.2 33.2 43 43 A A E -EF 48 85B 3 42,-3.1 42,-1.0 -2,-0.4 2,-0.6 -0.795 16.0-165.2 -92.2 130.2 -1.3 45.9 30.1 44 44 A H E > S-EF 47 84B 1 3,-2.8 3,-2.6 -2,-0.5 40,-0.2 -0.974 81.7 -21.7-113.7 113.4 0.9 48.2 28.2 45 45 A N T 3 S- 0 0 2 38,-2.4 99,-0.6 -2,-0.6 98,-0.3 0.891 132.0 -49.8 51.8 39.4 1.6 46.9 24.7 46 46 A G T 3 S+ 0 0 4 97,-0.6 2,-0.6 37,-0.4 -1,-0.3 0.446 113.5 123.5 82.9 0.2 0.7 43.6 26.1 47 47 A C E < -E 44 0B 10 -3,-2.6 -3,-2.8 96,-0.1 2,-0.5 -0.833 62.9-125.6-100.9 122.3 3.0 43.9 29.1 48 48 A C E +E 43 0B 50 53,-3.3 2,-0.3 -2,-0.6 -5,-0.3 -0.494 38.4 168.3 -69.1 116.4 1.3 43.6 32.5 49 49 A L E -E 42 0B 11 -7,-3.7 -7,-3.1 -2,-0.5 2,-0.4 -0.826 26.9-125.1-121.7 165.1 2.0 46.6 34.8 50 50 A T E -E 41 0B 72 -2,-0.3 12,-0.5 -9,-0.3 -9,-0.3 -0.939 24.5-111.7-117.3 136.8 0.5 47.7 38.2 51 51 A V E +G 61 0B 4 -11,-3.2 -12,-2.8 -2,-0.4 10,-0.2 -0.339 35.1 169.7 -62.4 132.9 -1.1 51.0 39.0 52 52 A T E + 0 0 58 8,-2.3 2,-0.3 1,-0.4 9,-0.2 0.644 66.2 2.3-111.3 -34.4 1.0 53.1 41.5 53 53 A E E -G 60 0B 110 7,-0.6 7,-3.5 -16,-0.1 -1,-0.4 -0.984 57.8-157.2-156.5 152.0 -0.7 56.4 41.4 54 54 A I E +G 59 0B 55 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.997 12.3 171.2-138.2 133.8 -3.7 58.0 39.8 55 55 A N E > -G 58 0B 94 3,-3.3 3,-1.9 -2,-0.4 2,-0.2 -0.763 67.5 -56.3-145.3 96.3 -4.4 61.7 39.1 56 56 A G T 3 S- 0 0 62 -2,-0.3 -1,-0.2 1,-0.3 0, 0.0 -0.473 121.6 -20.4 66.9-135.5 -7.4 62.5 37.0 57 57 A N T 3 S+ 0 0 48 -2,-0.2 -29,-2.7 -3,-0.1 2,-0.7 0.315 119.1 103.0 -89.8 15.2 -6.8 60.6 33.7 58 58 A H E < -DG 27 55B 64 -3,-1.9 -3,-3.3 -31,-0.3 2,-0.4 -0.897 53.0-174.4 -99.7 112.9 -3.1 60.4 34.5 59 59 A V E -DG 26 54B 0 -33,-2.7 -33,-2.4 -2,-0.7 -5,-0.2 -0.902 10.3-141.8-113.5 138.6 -2.1 56.9 35.8 60 60 A S E +DG 25 53B 8 -7,-3.5 -8,-2.3 -2,-0.4 -7,-0.6 -0.650 20.4 167.3-104.4 154.2 1.3 55.8 37.1 61 61 A F E -DG 24 51B 0 -37,-1.0 -37,-2.8 -2,-0.2 2,-0.5 -0.987 24.4-134.1-155.9 147.9 3.5 52.7 36.9 62 62 A D E -D 23 0B 61 -12,-0.5 2,-0.6 -2,-0.3 -12,-0.3 -0.878 14.7-155.8-113.1 136.2 7.0 51.6 37.6 63 63 A L E -D 22 0B 0 -41,-3.0 -41,-1.6 -2,-0.5 2,-0.1 -0.883 11.1-138.7-115.2 120.8 9.1 49.6 35.2 64 64 A M E >> -D 21 0B 93 -2,-0.6 4,-1.6 -43,-0.2 3,-0.7 -0.470 30.7-111.3 -71.7 144.8 12.0 47.4 36.4 65 65 A K H 3> S+ 0 0 79 -45,-1.3 4,-1.9 1,-0.3 -1,-0.1 0.710 117.5 61.2 -51.5 -23.2 15.0 47.6 34.2 66 66 A E H 3> S+ 0 0 119 -46,-0.2 4,-3.1 2,-0.2 5,-0.3 0.978 104.1 48.0 -65.9 -53.2 14.4 44.1 33.1 67 67 A T H <> S+ 0 0 37 -3,-0.7 4,-1.9 1,-0.2 7,-0.4 0.880 112.3 49.5 -50.6 -44.7 11.0 45.0 31.7 68 68 A L H < S+ 0 0 16 -4,-1.6 6,-0.8 1,-0.2 -1,-0.2 0.859 114.7 45.1 -63.0 -41.0 12.6 48.0 29.9 69 69 A R H < S+ 0 0 161 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.894 118.8 39.4 -67.6 -50.2 15.3 45.8 28.5 70 70 A I H < S+ 0 0 31 -4,-3.1 2,-0.2 -5,-0.1 -2,-0.2 0.602 115.5 48.7 -81.6 -19.7 13.1 42.9 27.4 71 71 A T S >< S- 0 0 3 -4,-1.9 3,-0.9 -5,-0.3 4,-0.1 -0.708 86.6-110.5-119.3 172.2 10.1 44.8 26.0 72 72 A N G > S+ 0 0 10 1,-0.2 3,-1.6 -2,-0.2 4,-0.2 0.578 102.6 87.2 -77.7 -6.5 9.6 47.7 23.7 73 73 A L G > S+ 0 0 0 -6,-0.3 3,-1.5 1,-0.3 -1,-0.2 0.829 77.8 61.5 -62.1 -35.3 8.5 49.7 26.7 74 74 A G G < S+ 0 0 18 -3,-0.9 -1,-0.3 -6,-0.8 -2,-0.1 0.596 102.4 53.6 -67.6 -10.5 12.0 50.7 27.5 75 75 A D G < S+ 0 0 94 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.417 81.4 117.0-102.5 -1.3 12.2 52.5 24.2 76 76 A L < - 0 0 16 -3,-1.5 2,-0.3 -4,-0.2 3,-0.0 -0.370 46.1-161.2 -67.9 157.5 9.2 54.6 24.6 77 77 A K > - 0 0 144 1,-0.0 3,-1.9 -65,-0.0 -65,-0.3 -0.896 36.5 -77.6-130.3 158.3 9.5 58.3 24.6 78 78 A V T 3 S+ 0 0 81 -2,-0.3 -65,-0.2 1,-0.3 3,-0.1 -0.233 118.9 31.5 -56.7 139.7 7.1 61.0 25.9 79 79 A G T 3 S+ 0 0 34 -67,-3.9 -1,-0.3 1,-0.4 2,-0.2 0.322 92.0 123.5 94.2 -9.7 4.3 61.6 23.5 80 80 A D < - 0 0 63 -3,-1.9 -68,-3.5 -68,-0.2 -1,-0.4 -0.484 55.8-130.1 -80.0 157.2 4.4 58.0 22.3 81 81 A W E -B 11 0B 121 -70,-0.3 2,-0.3 -2,-0.2 -70,-0.2 -0.865 18.7-167.5-114.8 143.3 1.2 55.9 22.5 82 82 A V E -B 10 0B 3 -72,-2.9 -72,-2.6 -2,-0.4 2,-0.4 -0.908 27.4-112.2-123.8 157.0 0.6 52.4 23.9 83 83 A N E -B 9 0B 2 -2,-0.3 -38,-2.4 -74,-0.2 -37,-0.4 -0.679 38.9-161.9 -81.0 137.0 -2.2 49.9 23.7 84 84 A V E +BF 8 44B 1 -76,-3.7 -77,-2.0 -2,-0.4 -76,-1.4 -0.952 18.6 168.6-128.2 145.5 -3.9 49.5 27.1 85 85 A E E - F 0 43B 6 -42,-1.0 -42,-3.1 -2,-0.4 2,-0.2 -0.964 25.2-135.7-150.3 130.7 -6.1 46.9 28.5 86 86 A R E - F 0 42B 55 -2,-0.3 -44,-0.2 -44,-0.2 -50,-0.0 -0.490 45.7 -76.5 -83.9 160.0 -7.3 46.4 32.1 87 87 A A - 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0 0 42 -2,-0.3 89,-0.4 -4,-0.1 2,-0.3 -0.616 51.6-172.3 -79.6 112.1 -6.5 34.3 27.1 99 99 A M B -A 2 0A 4 -97,-2.9 -97,-2.8 -2,-0.8 -95,-0.1 -0.819 24.4-151.7-107.4 145.0 -3.3 36.2 27.5 100 100 A S - 0 0 35 -2,-0.3 -1,-0.1 -99,-0.2 3,-0.1 0.804 32.1-127.4 -81.7 -41.8 -0.9 36.4 30.4 101 101 A G + 0 0 6 1,-0.3 -53,-3.3 -54,-0.1 2,-0.7 0.589 67.1 134.0 96.0 9.5 0.6 39.8 30.0 102 102 A H - 0 0 108 -55,-0.2 2,-0.5 2,-0.0 -1,-0.3 -0.846 36.2-170.6 -99.9 104.2 3.9 38.2 30.2 103 103 A I + 0 0 12 -2,-0.7 80,-0.1 1,-0.2 3,-0.1 -0.828 24.1 152.3 -97.2 127.9 6.3 39.4 27.5 104 104 A M + 0 0 142 78,-0.8 2,-0.3 -2,-0.5 -1,-0.2 0.678 66.3 36.7-120.1 -30.0 9.6 37.6 27.0 105 105 A T E -I 182 0D 22 77,-0.8 77,-3.2 22,-0.0 2,-0.3 -0.822 58.2-157.3-127.5 157.9 10.2 38.3 23.3 106 106 A T E -I 181 0D 7 -2,-0.3 20,-0.9 75,-0.3 2,-0.3 -0.832 11.2-152.0-122.3 164.8 9.7 41.0 20.8 107 107 A A E -IJ 180 125D 1 73,-2.2 73,-3.0 -2,-0.3 2,-0.4 -0.881 13.4-122.5-136.0 162.7 9.5 40.8 17.0 108 108 A E E -IJ 179 124D 61 16,-1.8 16,-2.9 -2,-0.3 2,-0.6 -0.924 23.6-114.5-115.7 137.5 10.3 43.2 14.2 109 109 A V E + J 0 123D 2 69,-2.3 68,-2.8 -2,-0.4 14,-0.2 -0.571 39.1 176.0 -68.3 108.5 8.0 44.4 11.5 110 110 A A E - 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