==== 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 04-DEC-09 3KY8 . COMPND 2 MOLECULE: PUTATIVE RIBOFLAVIN BIOSYNTHESIS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA LOIHICA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 361 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18346.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 13.3 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 . 6 1.7 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-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 . 40 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 15.8 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 0 0 0 3 0 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 5 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 0 PARALLEL BRIDGES PER LADDER . 0 4 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 -6 A E 0 0 209 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.8 -9.0 20.0 52.1 2 -5 A N > + 0 0 95 1,-0.1 4,-0.9 3,-0.1 3,-0.4 0.742 360.0 171.3 54.1 51.5 -6.1 22.4 51.4 3 -4 A L T 4>S+ 0 0 96 1,-0.2 5,-2.3 2,-0.2 3,-0.2 0.805 74.0 64.4 -62.4 -32.9 -5.3 23.9 54.8 4 -3 A Y T >45S+ 0 0 53 1,-0.2 3,-1.9 3,-0.2 -1,-0.2 0.926 102.8 46.5 -53.4 -51.7 -2.1 25.5 53.4 5 -2 A F T 345S+ 0 0 137 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.684 108.0 58.5 -66.6 -22.1 -4.2 27.7 51.0 6 -1 A Q T 3<5S- 0 0 150 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.347 132.0 -93.5 -86.6 4.8 -6.4 28.5 54.0 7 0 A G T < 5S+ 0 0 42 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.571 85.6 124.0 99.2 11.5 -3.3 29.8 55.8 8 1 A X < + 0 0 36 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.3 -0.931 32.7 172.8-106.9 127.0 -2.0 26.8 57.8 9 2 A A E -a 117 0A 3 107,-1.5 109,-2.8 -2,-0.5 2,-0.5 -0.995 28.9-150.7-140.3 136.0 1.6 25.8 57.2 10 3 A N E -a 118 0A 10 -2,-0.4 126,-2.3 124,-0.2 127,-1.7 -0.956 29.9-166.8-104.4 117.3 4.1 23.4 58.8 11 4 A I E -ab 119 137A 1 107,-2.9 109,-2.3 -2,-0.5 2,-0.4 -0.894 16.6-156.2-122.3 128.2 7.6 24.8 58.3 12 5 A V E + b 0 138A 0 125,-2.5 127,-2.4 -2,-0.4 2,-0.3 -0.837 14.0 174.0 -99.1 136.0 11.1 23.3 58.7 13 6 A F E + b 0 139A 31 107,-0.5 2,-0.3 -2,-0.4 127,-0.2 -0.806 25.1 144.0-143.1 102.3 14.0 25.7 59.4 14 7 A I E - b 0 140A 17 125,-2.2 127,-2.3 -2,-0.3 2,-0.4 -0.980 46.8-127.1-150.2 148.7 17.2 23.7 60.1 15 8 A A E + b 0 141A 30 -2,-0.3 2,-0.3 125,-0.2 127,-0.2 -0.833 33.7 178.0 -98.0 133.9 21.0 23.6 59.7 16 9 A T E - b 0 142A 1 125,-2.3 127,-2.8 -2,-0.4 6,-0.2 -0.948 28.6-114.6-129.5 155.0 22.4 20.4 58.1 17 10 A S E > - b 0 143A 0 4,-2.4 3,-1.6 -2,-0.3 129,-0.2 -0.281 44.5 -96.9 -72.1 171.8 25.9 19.1 57.2 18 11 A L T 3 S+ 0 0 2 127,-2.4 128,-0.2 125,-0.6 -1,-0.1 0.900 127.6 50.3 -60.7 -38.3 26.6 18.5 53.5 19 12 A D T 3 S- 0 0 23 126,-0.7 -1,-0.3 130,-0.1 127,-0.1 0.204 125.6 -97.5 -90.0 12.7 25.8 14.9 54.1 20 13 A G S < S+ 0 0 15 -3,-1.6 133,-2.9 1,-0.3 134,-0.5 0.629 73.6 137.4 93.7 13.8 22.5 15.5 55.9 21 14 A Y E -H 152 0B 44 131,-0.3 -4,-2.4 132,-0.1 -1,-0.3 -0.777 35.4-167.6 -95.1 143.5 23.2 15.4 59.6 22 15 A I E S+ 0 0 24 129,-3.1 2,-0.3 -2,-0.4 -7,-0.1 0.537 81.7 20.5-105.0 -13.8 21.7 17.8 62.1 23 16 A A E S-H 151 0B 12 128,-0.8 128,-1.9 8,-0.0 -1,-0.2 -0.966 84.6-114.3-142.6 158.2 24.0 16.8 65.0 24 17 A D > - 0 0 29 4,-2.2 3,-2.4 -2,-0.3 126,-0.3 -0.215 47.7 -82.2 -83.0-176.4 27.4 15.0 64.9 25 18 A K T 3 S+ 0 0 120 124,-0.3 125,-0.2 1,-0.3 -1,-0.1 0.605 131.2 51.9 -69.2 -8.4 28.1 11.5 66.3 26 19 A R T 3 S- 0 0 173 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.232 120.0-106.7-104.4 8.9 28.4 13.0 69.9 27 20 A G S < S+ 0 0 25 -3,-2.4 -2,-0.1 1,-0.2 2,-0.1 0.591 77.8 136.3 71.2 16.8 25.1 14.8 69.6 28 21 A K - 0 0 88 1,-0.1 -4,-2.2 -5,-0.0 -1,-0.2 -0.463 53.2-154.7 -99.4 165.7 27.0 18.1 69.3 29 22 A L > + 0 0 86 -6,-0.2 3,-1.6 -2,-0.1 4,-0.4 -0.007 57.5 119.1-122.4 23.2 26.7 21.3 67.1 30 23 A D G > + 0 0 100 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.847 67.6 67.9 -61.8 -34.4 30.3 22.5 67.3 31 24 A W G > S+ 0 0 16 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.690 82.2 73.8 -57.7 -23.2 30.5 22.1 63.5 32 25 A L G X S+ 0 0 52 -3,-1.6 3,-0.9 1,-0.3 -1,-0.3 0.857 91.8 58.2 -57.1 -31.4 28.0 25.0 63.2 33 26 A H G < S+ 0 0 158 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.367 77.2 94.3 -80.9 9.1 31.1 27.1 64.2 34 27 A S G < S+ 0 0 50 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.1 0.713 83.5 56.4 -70.6 -21.0 33.0 25.8 61.1 35 28 A V S < S- 0 0 15 -3,-0.9 2,-0.1 -4,-0.2 -1,-0.1 -0.958 95.3-120.1-111.8 128.6 31.9 28.9 59.3 36 29 A P + 0 0 99 0, 0.0 138,-0.2 0, 0.0 3,-0.1 -0.420 32.2 171.1 -68.8 139.5 32.8 32.3 60.9 37 30 A N > + 0 0 57 -2,-0.1 3,-1.7 -4,-0.1 -2,-0.0 -0.446 14.0 155.6-140.0 62.2 29.9 34.7 61.9 38 31 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.859 72.1 51.5 -58.9 -37.8 31.7 37.4 63.8 39 32 A N T 3 S- 0 0 138 -3,-0.1 -2,-0.0 1,-0.0 0, 0.0 0.263 108.8-119.5 -91.0 14.0 29.1 40.1 63.1 40 33 A N < - 0 0 141 -3,-1.7 -1,-0.0 1,-0.2 -3,-0.0 0.808 40.1-168.6 54.8 41.7 26.2 38.0 64.4 41 34 A V - 0 0 76 1,-0.1 2,-0.4 2,-0.1 -1,-0.2 -0.320 16.9-129.3 -63.9 134.9 24.4 38.1 61.0 42 35 A D - 0 0 84 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.711 19.0-170.0 -86.4 134.3 20.9 36.8 61.2 43 36 A T - 0 0 40 -2,-0.4 -1,-0.1 128,-0.1 -2,-0.1 -0.080 68.4 -57.0-118.7 36.5 20.0 34.2 58.6 44 37 A G S > S+ 0 0 23 -31,-0.0 4,-2.3 4,-0.0 5,-0.1 0.192 102.5 108.1 122.8 -16.6 16.2 33.9 59.0 45 38 A F H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.870 79.6 50.5 -64.5 -43.6 15.5 33.0 62.7 46 39 A V H > S+ 0 0 95 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.937 115.6 44.6 -61.3 -43.9 14.1 36.3 63.9 47 40 A A H > S+ 0 0 63 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.884 111.3 52.2 -70.7 -39.7 11.7 36.4 61.0 48 41 A L H X S+ 0 0 13 -4,-2.3 4,-2.9 1,-0.2 3,-0.5 0.967 111.4 48.4 -54.3 -50.7 10.7 32.7 61.3 49 42 A X H < S+ 0 0 8 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.786 109.6 51.5 -66.2 -30.3 9.9 33.3 65.0 50 43 A E H < S+ 0 0 157 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.811 115.2 43.8 -72.2 -32.5 7.9 36.4 64.3 51 44 A R H < S+ 0 0 85 -4,-1.7 -2,-0.2 -3,-0.5 66,-0.2 0.867 99.8 78.0 -80.0 -43.9 5.9 34.4 61.7 52 45 A V < - 0 0 0 -4,-2.9 66,-0.2 -5,-0.2 3,-0.1 -0.356 61.2-153.0 -75.7 152.1 5.2 31.2 63.5 53 46 A D S S- 0 0 42 64,-3.5 2,-0.3 1,-0.3 65,-0.2 0.630 74.5 -27.0 -92.3 -19.6 2.6 30.7 66.2 54 47 A G E -c 118 0A 0 63,-1.0 65,-2.4 22,-0.2 2,-0.3 -0.965 62.2-105.1-177.7 177.7 4.4 27.9 67.9 55 48 A L E -cd 119 78A 0 22,-2.2 24,-3.3 -2,-0.3 2,-0.5 -0.904 11.9-151.6-120.5 145.2 6.8 25.1 67.5 56 49 A V E +cd 120 79A 1 63,-2.0 65,-2.8 -2,-0.3 2,-0.3 -0.997 33.6 169.4-115.6 119.8 6.2 21.3 67.3 57 50 A X E -cd 121 80A 0 22,-2.4 24,-2.0 -2,-0.5 65,-0.2 -0.917 30.0-121.9-133.1 149.5 9.4 19.6 68.7 58 51 A G E > - d 0 81A 10 63,-0.8 4,-1.9 -2,-0.3 3,-0.2 -0.438 31.2-108.4 -87.5 173.3 10.4 16.1 69.7 59 52 A R H > S+ 0 0 56 22,-0.6 4,-3.0 1,-0.2 5,-0.2 0.830 115.0 62.1 -69.9 -32.2 11.8 15.1 73.1 60 53 A N H > S+ 0 0 115 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.894 109.5 40.4 -59.9 -42.1 15.3 14.5 71.8 61 54 A T H > S+ 0 0 31 -3,-0.2 4,-1.8 2,-0.2 3,-0.4 0.916 114.6 52.9 -71.8 -43.6 15.6 18.2 70.8 62 55 A L H >X S+ 0 0 0 -4,-1.9 4,-3.5 1,-0.2 3,-0.6 0.946 107.0 52.1 -55.9 -48.8 13.8 19.3 74.0 63 56 A D H 3< S+ 0 0 84 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.803 111.4 47.7 -60.3 -31.2 16.3 17.4 76.1 64 57 A X H 3< S+ 0 0 125 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.736 115.3 44.1 -79.8 -25.3 19.2 19.0 74.3 65 58 A V H << S+ 0 0 33 -4,-1.8 -2,-0.2 -3,-0.6 -3,-0.2 0.930 99.2 78.7 -83.6 -49.5 17.8 22.5 74.7 66 59 A L < + 0 0 31 -4,-3.5 2,-0.3 -5,-0.2 3,-0.1 -0.386 62.5 139.6 -59.1 129.2 16.7 22.1 78.3 67 60 A S > - 0 0 61 -2,-0.1 3,-0.9 1,-0.1 -3,-0.0 -0.957 64.3-109.8-159.8 166.0 19.7 22.5 80.5 68 61 A F T 3 S+ 0 0 221 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.830 120.8 46.3 -65.9 -34.0 20.7 24.2 83.8 69 62 A D T 3 S+ 0 0 94 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.026 92.0 132.5 -97.8 27.4 22.8 26.8 82.0 70 63 A C < - 0 0 30 -3,-0.9 2,-0.8 1,-0.0 -4,-0.1 -0.607 46.3-160.9 -96.4 131.9 20.0 27.5 79.3 71 64 A D - 0 0 152 -2,-0.3 -2,-0.0 -6,-0.1 -5,-0.0 -0.922 37.4-123.1-104.9 108.2 18.6 30.8 78.0 72 65 A W - 0 0 46 -2,-0.8 -6,-0.0 1,-0.2 -7,-0.0 -0.232 23.9-161.4 -52.4 121.9 15.3 29.6 76.5 73 66 A P + 0 0 63 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.503 55.4 90.3 -91.2 -1.2 15.6 30.8 72.9 74 67 A Y - 0 0 30 1,-0.1 4,-0.1 2,-0.1 -2,-0.0 -0.859 45.0-172.5-109.0 128.9 11.9 30.7 71.8 75 68 A S S S+ 0 0 93 -2,-0.5 -1,-0.1 2,-0.1 -3,-0.0 0.409 75.7 60.3 -89.4 -2.4 9.4 33.5 72.1 76 69 A K S S- 0 0 57 1,-0.1 -22,-0.2 19,-0.0 -23,-0.1 -0.834 100.5 -79.2-124.6 159.5 6.4 31.3 71.0 77 70 A P - 0 0 35 0, 0.0 -22,-2.2 0, 0.0 2,-0.6 -0.263 35.9-142.1 -61.1 145.2 5.0 28.2 72.7 78 71 A V E -de 55 96A 0 17,-1.9 19,-2.8 -24,-0.2 2,-0.5 -0.947 10.2-158.5-108.4 116.0 6.8 24.9 72.1 79 72 A F E -de 56 97A 15 -24,-3.3 -22,-2.4 -2,-0.6 2,-0.5 -0.834 12.9-152.1 -92.7 126.0 4.4 21.9 71.8 80 73 A V E -de 57 98A 0 17,-2.4 19,-2.4 -2,-0.5 2,-0.9 -0.923 6.4-142.8-114.0 126.3 6.2 18.7 72.6 81 74 A L E +de 58 99A 29 -24,-2.0 -22,-0.6 -2,-0.5 2,-0.4 -0.752 40.2 145.7 -86.8 102.2 5.3 15.4 71.1 82 75 A S + 0 0 14 17,-1.3 -2,-0.1 -2,-0.9 -24,-0.0 -0.963 33.7 174.8-143.5 127.3 5.7 12.7 73.6 83 76 A N S S+ 0 0 148 -2,-0.4 -1,-0.1 17,-0.1 17,-0.0 0.705 98.4 50.3 -78.6 -36.3 3.8 9.6 74.2 84 77 A T S S+ 0 0 95 -3,-0.1 2,-0.5 2,-0.0 -2,-0.1 0.788 92.8 84.4 -72.3 -32.4 6.5 9.0 76.9 85 78 A X + 0 0 29 1,-0.1 -3,-0.1 -5,-0.0 3,-0.1 -0.646 44.4 176.4 -89.8 121.0 6.5 12.4 78.8 86 79 A T + 0 0 98 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.713 65.1 16.1 -93.5 -26.0 3.9 12.9 81.6 87 80 A E S S- 0 0 153 10,-0.0 -1,-0.2 0, 0.0 10,-0.0 -1.000 71.2-113.2-156.6 149.7 4.9 16.4 82.9 88 81 A V - 0 0 24 -2,-0.3 5,-0.2 8,-0.1 3,-0.1 -0.659 45.3-106.4 -88.4 136.4 6.8 19.5 82.0 89 82 A P > - 0 0 43 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.198 44.8 -81.6 -62.8 153.8 9.9 20.2 84.2 90 83 A Q T 3 S+ 0 0 165 1,-0.3 0, 0.0 2,-0.2 0, 0.0 -0.227 118.8 27.7 -52.5 133.0 10.0 23.0 86.8 91 84 A G T 3 S+ 0 0 34 -3,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.210 113.5 67.4 98.5 -12.4 10.7 26.4 85.1 92 85 A Y X> + 0 0 39 -3,-2.1 4,-2.2 1,-0.1 3,-1.5 0.312 59.8 105.2-125.2 9.8 9.3 25.4 81.8 93 86 A E T 34 S+ 0 0 97 1,-0.3 -1,-0.1 -4,-0.2 -3,-0.1 0.704 90.5 41.0 -67.4 -24.5 5.5 25.0 82.5 94 87 A D T 34 S+ 0 0 121 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.300 120.5 46.1-100.8 11.4 4.7 28.3 80.7 95 88 A K T <4 S+ 0 0 64 -3,-1.5 -17,-1.9 1,-0.3 2,-0.4 0.680 110.8 43.6-115.5 -30.1 7.2 27.5 77.9 96 89 A V E < -e 78 0A 2 -4,-2.2 2,-0.4 -19,-0.2 -1,-0.3 -0.971 61.5-168.6-132.5 130.6 6.6 23.9 76.9 97 90 A F E -e 79 0A 81 -19,-2.8 -17,-2.4 -2,-0.4 2,-0.3 -0.986 20.2-127.2-129.5 129.0 3.2 22.3 76.4 98 91 A L E -e 80 0A 62 -2,-0.4 2,-0.4 -19,-0.2 -17,-0.2 -0.522 23.9-174.6 -78.4 133.8 2.5 18.6 76.0 99 92 A V E -e 81 0A 23 -19,-2.4 -17,-1.3 -2,-0.3 2,-0.3 -0.988 3.0-175.1-126.4 145.1 0.6 17.2 73.0 100 93 A K + 0 0 78 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.1 -0.966 35.4 41.0-136.7 143.6 -0.5 13.6 72.4 101 94 A G S S- 0 0 51 -2,-0.3 2,-0.2 4,-0.0 -2,-0.0 -0.807 91.5 -10.3 128.2-157.8 -2.2 11.6 69.7 102 95 A K > - 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