==== 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 TRANSFERASE 18-MAY-07 2Q04 . COMPND 2 MOLECULE: ACETOIN UTILIZATION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EXIGUOBACTERIUM SIBIRICUM; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1249 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 850 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 222 17.8 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 . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 92 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 191 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 12 0 3 0 1 3 2 6 3 3 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 12 0 12 6 6 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 . 0 0 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 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 0 A G 0 0 13 0, 0.0 93,-0.1 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 -50.2 0.0 95.6 34.0 2 1 A X + 0 0 100 91,-0.1 2,-0.1 2,-0.0 58,-0.0 0.640 360.0 91.4 -65.2 -14.5 -1.6 99.1 34.1 3 2 A F S S- 0 0 79 1,-0.1 2,-0.2 122,-0.1 122,-0.0 -0.341 79.8-110.7 -83.7 162.4 -1.1 99.3 37.9 4 3 A E - 0 0 142 -2,-0.1 2,-0.6 1,-0.0 121,-0.2 -0.632 28.2-122.0 -90.5 150.9 1.8 100.7 39.9 5 4 A K - 0 0 80 -2,-0.2 2,-0.6 120,-0.0 -1,-0.0 -0.838 18.5-153.0-102.2 114.9 4.2 98.5 41.8 6 5 A Q - 0 0 88 -2,-0.6 2,-0.4 17,-0.0 117,-0.1 -0.783 13.9-137.9 -88.3 117.4 4.5 99.2 45.6 7 6 A F - 0 0 109 -2,-0.6 2,-0.3 15,-0.1 18,-0.1 -0.593 27.1-177.8 -73.3 129.0 7.9 98.1 47.0 8 7 A N E -A 23 0A 26 15,-2.8 15,-2.1 -2,-0.4 2,-0.3 -0.916 6.5-169.6-128.8 157.1 7.5 96.4 50.4 9 8 A H E +A 22 0A 66 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.992 11.5 169.0-150.3 136.9 10.1 95.0 52.8 10 9 A R E -A 21 0A 110 11,-2.5 11,-3.1 -2,-0.3 2,-0.6 -0.987 29.0-130.7-141.8 147.0 10.2 92.9 55.9 11 10 A T E -A 20 0A 70 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.894 22.1-160.1 -97.9 120.6 13.2 91.3 57.7 12 11 A L E -A 19 0A 26 7,-3.3 7,-4.0 -2,-0.6 2,-0.3 -0.887 9.0-141.7-102.2 127.1 12.6 87.6 58.5 13 12 A E + 0 0 162 -2,-0.5 2,-0.3 5,-0.3 -2,-0.0 -0.646 29.4 165.9 -84.7 144.4 14.8 86.1 61.2 14 13 A T - 0 0 26 -2,-0.3 93,-0.0 98,-0.0 96,-0.0 -0.879 54.8 -92.6-143.9 179.6 16.0 82.5 60.6 15 14 A S S S+ 0 0 87 -2,-0.3 92,-0.0 1,-0.2 -2,-0.0 0.669 136.0 26.5 -70.8 -19.3 18.5 80.0 62.0 16 15 A L S S+ 0 0 77 91,-0.1 -1,-0.2 90,-0.0 91,-0.0 0.406 124.9 131.9-111.7 -4.8 20.8 81.3 59.3 17 16 A G + 0 0 27 2,-0.1 -4,-0.2 -6,-0.0 2,-0.1 0.319 41.7 114.4 -72.5-168.1 19.1 84.8 59.2 18 17 A P - 0 0 71 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 0.409 53.9-171.6 -80.7 159.2 18.2 87.5 59.1 19 18 A V E -A 12 0A 0 -7,-4.0 -7,-3.3 -2,-0.1 2,-0.6 -0.950 19.4-133.5-121.8 131.0 16.8 87.4 55.6 20 19 A E E -AB 11 67A 39 47,-3.1 47,-2.8 -2,-0.4 2,-0.6 -0.744 18.3-166.8 -88.0 120.1 15.5 90.5 53.7 21 20 A I E +AB 10 66A 0 -11,-3.1 -11,-2.5 -2,-0.6 2,-0.3 -0.933 29.3 140.4-110.7 111.6 12.1 89.8 52.1 22 21 A E E -AB 9 65A 16 43,-2.0 43,-2.7 -2,-0.6 -13,-0.2 -0.990 23.4 -28.0-154.0 155.2 11.3 92.5 49.6 23 22 A G E -A 8 0A 1 -15,-2.1 -15,-2.8 -2,-0.3 41,-0.2 -0.882 57.0 -76.6 155.9 179.3 9.9 93.5 46.3 24 23 A P - 0 0 19 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.358 68.0-161.4 -67.4 138.3 8.9 94.0 43.6 25 24 A V - 0 0 8 38,-2.5 38,-0.3 -3,-0.2 -2,-0.0 -0.773 16.1-117.4 -95.1 136.4 12.6 94.5 42.7 26 25 A T > - 0 0 77 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.272 20.0-116.8 -70.2 158.3 13.5 96.3 39.5 27 26 A S H > S+ 0 0 27 29,-0.3 4,-2.1 1,-0.2 5,-0.2 0.914 114.1 56.8 -58.3 -47.0 15.5 94.6 36.7 28 27 A Q H 4 S+ 0 0 75 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.904 113.1 39.8 -53.4 -45.9 18.4 96.9 37.2 29 28 A I H >> S+ 0 0 73 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.886 111.1 57.2 -74.4 -40.3 18.8 96.0 40.8 30 29 A L H >< S+ 0 0 1 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.832 99.6 60.6 -57.1 -36.3 18.1 92.3 40.3 31 30 A A T 3< S+ 0 0 57 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.734 99.3 56.4 -65.9 -23.8 21.0 92.0 37.9 32 31 A T T <4 S+ 0 0 92 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.672 97.3 77.6 -82.8 -19.2 23.4 93.1 40.6 33 32 A Y S << S- 0 0 37 -3,-0.8 2,-0.4 -4,-0.6 38,-0.2 -0.205 77.2-127.6 -81.6 178.1 22.5 90.3 42.9 34 33 A K E -c 71 0A 141 36,-2.7 38,-1.9 -2,-0.0 2,-0.1 -0.970 15.9-126.9-134.3 117.8 23.5 86.6 42.7 35 34 A L E -c 72 0A 9 -2,-0.4 38,-0.2 36,-0.2 14,-0.1 -0.414 35.8-108.1 -61.4 131.8 21.2 83.7 42.6 36 35 A D > - 0 0 12 36,-2.8 3,-1.6 1,-0.1 -1,-0.1 -0.340 24.5-121.2 -59.3 140.2 22.1 81.1 45.3 37 36 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.680 107.5 67.0 -59.9 -17.0 23.6 77.9 43.7 38 37 A G T 3 S+ 0 0 39 1,-0.2 2,-0.5 2,-0.0 67,-0.4 0.213 74.5 89.7 -91.3 15.4 20.8 75.8 45.3 39 38 A L < + 0 0 0 -3,-1.6 4,-0.3 1,-0.1 3,-0.2 -0.497 46.9 120.9-109.0 64.6 18.0 77.3 43.2 40 39 A T + 0 0 62 -2,-0.5 -1,-0.1 1,-0.1 4,-0.1 -0.034 28.3 111.6-118.9 30.2 18.1 74.9 40.2 41 40 A A S S+ 0 0 37 1,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.740 95.3 22.8 -77.1 -24.9 14.5 73.4 40.3 42 41 A F S S- 0 0 70 1,-0.5 2,-0.3 -3,-0.2 -2,-0.1 0.770 136.5 -28.6-107.8 -45.6 13.6 75.1 37.0 43 42 A R S S- 0 0 123 -4,-0.3 -1,-0.5 2,-0.0 5,-0.1 -0.972 82.9 -60.3-162.3 170.3 16.9 75.7 35.4 44 43 A Q > - 0 0 123 -2,-0.3 4,-2.5 1,-0.1 3,-0.4 -0.193 57.7-108.7 -57.1 151.4 20.6 76.3 36.2 45 44 A P H > S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.818 114.9 53.4 -60.7 -39.1 21.2 79.5 38.3 46 45 A A H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.933 116.0 40.5 -58.9 -45.1 22.8 81.7 35.6 47 46 A E H > S+ 0 0 105 -3,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.864 115.5 50.5 -71.8 -38.5 19.9 81.0 33.2 48 47 A Q H X S+ 0 0 9 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.811 107.4 54.5 -70.7 -32.1 17.2 81.3 36.0 49 48 A H H X S+ 0 0 35 -4,-2.4 4,-2.4 -5,-0.2 3,-0.3 0.944 107.1 50.0 -64.6 -48.2 18.7 84.7 37.1 50 49 A E H X S+ 0 0 124 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.813 109.2 54.2 -58.1 -31.9 18.4 86.0 33.6 51 50 A A H X S+ 0 0 8 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.847 108.0 47.8 -71.1 -37.9 14.8 84.8 33.7 52 51 A L H X S+ 0 0 1 -4,-1.6 4,-2.4 -3,-0.3 -2,-0.2 0.906 111.2 50.7 -69.3 -42.7 14.0 86.7 36.9 53 52 A V H X S+ 0 0 33 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.923 110.8 49.5 -59.3 -45.4 15.5 89.9 35.5 54 53 A E H < S+ 0 0 116 -4,-1.8 4,-0.4 1,-0.2 3,-0.2 0.885 109.9 50.2 -62.6 -43.4 13.5 89.6 32.4 55 54 A I H >< S+ 0 0 27 -4,-1.9 3,-2.0 1,-0.2 6,-0.2 0.936 107.1 54.5 -60.1 -45.9 10.3 89.0 34.3 56 55 A A H 3< S+ 0 0 11 -4,-2.4 -29,-0.3 1,-0.3 -1,-0.2 0.792 102.7 59.3 -57.9 -29.7 11.0 92.1 36.4 57 56 A A T 3< S+ 0 0 71 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.580 85.6 102.7 -76.8 -12.6 11.3 94.1 33.2 58 57 A L S < S- 0 0 70 -3,-2.0 -3,-0.0 -4,-0.4 0, 0.0 -0.441 82.4-119.7 -73.4 150.9 7.7 93.3 32.1 59 58 A E S S+ 0 0 91 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.0 0.908 116.5 24.8 -53.4 -47.2 5.0 95.8 32.5 60 59 A E S S+ 0 0 25 -58,-0.0 -1,-0.2 2,-0.0 -4,-0.1 0.572 98.8 123.2 -94.4 -10.7 3.0 93.5 34.9 61 60 A G - 0 0 1 -6,-0.2 2,-0.4 -7,-0.1 18,-0.2 -0.196 35.7-177.1 -62.9 139.1 6.1 91.5 36.1 62 61 A R E - D 0 78A 9 16,-2.4 16,-1.9 -38,-0.0 2,-0.5 -0.982 9.6-173.1-139.3 126.8 6.9 91.3 39.8 63 62 A I E - D 0 77A 0 -2,-0.4 -38,-2.5 -38,-0.3 2,-0.4 -0.965 4.2-173.7-120.2 110.6 9.9 89.6 41.5 64 63 A I E - D 0 76A 2 12,-2.3 12,-2.3 -2,-0.5 2,-0.3 -0.907 16.4-161.2-100.6 135.4 9.9 89.5 45.3 65 64 A I E -BD 22 75A 0 -43,-2.7 -43,-2.0 -2,-0.4 2,-0.5 -0.851 25.6-141.7-123.2 149.4 13.1 88.0 46.7 66 65 A A E -BD 21 74A 0 8,-2.9 7,-2.3 -2,-0.3 8,-1.1 -0.979 43.7-177.4-103.8 121.3 14.4 86.5 49.9 67 66 A R E -BD 20 72A 40 -47,-2.8 -47,-3.1 -2,-0.5 2,-0.4 -0.911 36.4-172.2-135.1 142.3 17.9 88.0 50.2 68 67 A Q E > S- D 0 71A 53 3,-2.6 3,-2.1 -2,-0.3 2,-0.2 -0.938 76.6 -49.1-129.3 110.6 21.1 87.9 52.3 69 68 A G T 3 S- 0 0 52 -2,-0.4 -49,-0.1 1,-0.3 -36,-0.0 -0.452 122.6 -22.5 62.6-129.9 23.5 90.6 51.2 70 69 A N T 3 S+ 0 0 101 -2,-0.2 -36,-2.7 -3,-0.1 2,-0.6 0.435 119.2 102.3 -86.8 0.9 23.9 90.3 47.4 71 70 A D E < -cD 34 68A 72 -3,-2.1 -3,-2.6 -38,-0.2 2,-0.7 -0.770 60.8-152.2 -98.4 118.6 22.7 86.7 47.5 72 71 A I E +cD 35 67A 0 -38,-1.9 -36,-2.8 -2,-0.6 -5,-0.2 -0.763 19.1 172.1 -84.9 114.2 19.1 85.7 46.5 73 72 A I E + 0 0 0 -7,-2.3 31,-2.6 -2,-0.7 2,-0.3 0.326 67.0 6.2-106.1 6.9 18.2 82.5 48.5 74 73 A G E +ED 103 66A 0 -8,-1.1 -8,-2.9 29,-0.3 2,-0.3 -0.941 62.6 178.9-178.0 158.5 14.6 82.5 47.4 75 74 A Y E -ED 102 65A 0 27,-2.4 27,-2.0 -2,-0.3 2,-0.3 -0.986 17.0-149.9-160.7 164.8 12.1 84.2 45.2 76 75 A V E -ED 101 64A 0 -12,-2.3 -12,-2.3 -2,-0.3 2,-0.3 -0.979 21.2-151.6-144.1 134.8 8.5 84.3 44.0 77 76 A T E - D 0 63A 5 23,-2.8 22,-1.0 -2,-0.3 2,-0.4 -0.803 10.4-171.4-113.7 149.1 7.5 85.5 40.5 78 77 A F E +ED 98 62A 0 -16,-1.9 -16,-2.4 -2,-0.3 2,-0.3 -0.999 24.8 127.8-137.0 136.1 4.3 87.1 39.1 79 78 A L E -E 97 0A 36 18,-2.4 18,-3.3 -2,-0.4 3,-0.1 -0.959 60.4 -64.0-168.1 174.1 3.5 87.8 35.5 80 79 A Y - 0 0 70 -2,-0.3 16,-0.2 16,-0.2 8,-0.1 -0.426 68.6 -87.3 -69.6 146.9 0.8 87.2 32.9 81 80 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 14,-0.0 -0.116 55.3 -84.3 -54.3 152.3 0.0 83.6 32.0 82 81 A D > - 0 0 69 1,-0.1 3,-2.1 -3,-0.1 6,-0.5 -0.357 29.4-134.6 -62.9 130.1 2.1 81.9 29.3 83 82 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.691 106.4 50.2 -55.3 -22.6 0.8 82.5 25.7 84 83 A Y T 3 S+ 0 0 105 5,-0.0 2,-0.3 3,-0.0 -2,-0.1 0.155 99.8 74.8-109.3 17.4 1.2 78.8 25.0 85 84 A E S X S- 0 0 59 -3,-2.1 3,-1.2 332,-0.1 4,-0.1 -0.843 90.5-111.9-119.3 163.2 -0.6 77.5 28.1 86 85 A T G > S+ 0 0 17 -2,-0.3 3,-1.7 1,-0.2 -1,-0.0 0.787 105.5 74.7 -68.4 -22.5 -4.4 77.4 28.5 87 86 A W G 3 S+ 0 0 4 1,-0.3 -1,-0.2 -5,-0.0 115,-0.1 0.605 90.4 57.7 -71.2 -8.0 -4.4 80.0 31.4 88 87 A S G < S+ 0 0 8 -3,-1.2 -1,-0.3 -6,-0.5 4,-0.2 0.418 76.4 126.9-102.0 0.3 -3.7 82.9 28.9 89 88 A E < + 0 0 9 -3,-1.7 3,-0.2 -4,-0.1 207,-0.1 -0.195 58.9 15.3 -59.5 149.2 -6.7 82.4 26.7 90 89 A G S S- 0 0 1 205,-0.3 2,-0.9 206,-0.3 210,-0.4 0.031 98.7 -69.6 77.4 172.5 -9.1 85.4 26.1 91 90 A N S S+ 0 0 43 202,-3.2 -1,-0.1 208,-0.2 -2,-0.1 -0.628 75.0 137.7-103.7 73.6 -8.5 89.1 26.6 92 91 A N > + 0 0 17 -2,-0.9 3,-1.2 -3,-0.2 207,-0.0 -0.861 26.0 178.1-124.3 99.0 -8.5 89.3 30.4 93 92 A P T 3 S+ 0 0 63 0, 0.0 -91,-0.1 0, 0.0 -1,-0.1 0.422 76.5 72.4 -77.9 0.9 -5.8 91.6 31.9 94 93 A Y T 3 S+ 0 0 117 35,-0.1 36,-3.1 -93,-0.1 2,-0.6 0.382 77.8 90.1 -94.4 0.9 -7.1 90.9 35.5 95 94 A I E < + f 0 130A 5 -3,-1.2 2,-0.3 34,-0.2 36,-0.2 -0.896 56.5 176.5-102.8 117.8 -5.7 87.4 35.5 96 95 A L E - 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