==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-FEB-05 1YUM . COMPND 2 MOLECULE: 'PROBABLE NICOTINATE-NUCLEOTIDE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR H.J.YOON,H.L.KIM,B.MIKAMI,S.W.SUH . 848 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 560 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 43 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 3 0 3 1 6 3 3 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 4 0 12 4 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 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 2 A G 0 0 82 0, 0.0 2,-0.2 0, 0.0 98,-0.1 0.000 360.0 360.0 360.0-162.7 89.9 74.9 31.3 2 3 A K - 0 0 85 29,-0.0 98,-2.9 94,-0.0 2,-0.5 -0.648 360.0-132.2-100.4 167.5 89.8 75.3 27.6 3 4 A R E -a 100 0A 58 -2,-0.2 29,-2.1 96,-0.2 30,-1.2 -0.957 30.3-174.7-121.1 100.3 86.7 75.6 25.3 4 5 A I E -ab 101 33A 0 96,-2.6 98,-2.4 -2,-0.5 2,-0.3 -0.830 8.6-156.8-104.7 130.2 87.1 73.2 22.3 5 6 A G E -ab 102 34A 0 28,-2.7 30,-2.2 -2,-0.4 2,-0.4 -0.739 3.4-154.3-102.7 160.4 84.8 72.9 19.3 6 7 A L E -ab 103 35A 3 96,-2.4 98,-3.0 -2,-0.3 2,-0.6 -0.993 9.4-176.0-130.6 119.3 84.3 70.0 17.0 7 8 A F E -ab 104 36A 23 28,-3.1 30,-4.2 -2,-0.4 2,-0.3 -0.944 12.1-166.5-118.0 104.9 83.0 70.6 13.4 8 9 A G E + b 0 37A 29 96,-0.8 2,-0.3 -2,-0.6 3,-0.1 -0.688 21.2 135.1 -94.6 146.4 82.5 67.4 11.6 9 10 A G E - b 0 38A 14 28,-1.9 30,-2.9 -2,-0.3 5,-0.1 -0.969 59.1-116.7-170.4 166.6 81.9 67.2 7.8 10 11 A T - 0 0 52 -2,-0.3 4,-0.1 28,-0.2 -1,-0.1 0.864 40.3-163.5 -75.0 -41.9 82.7 65.4 4.6 11 12 A F > - 0 0 5 2,-0.2 3,-0.9 1,-0.1 48,-0.1 0.971 10.4-178.7 58.1 65.7 84.3 68.6 3.1 12 13 A D T 3 S- 0 0 6 1,-0.9 170,-0.2 46,-0.0 -1,-0.1 -0.550 92.5 -7.3-129.5 64.6 84.3 67.6 -0.6 13 14 A P T 3 S- 0 0 0 0, 0.0 -1,-0.9 0, 0.0 -2,-0.2 0.535 91.4-128.2 -94.9 172.3 85.6 70.2 -0.9 14 15 A V < - 0 0 0 -3,-0.9 2,-0.2 41,-0.2 185,-0.0 -0.397 41.1-176.2 -60.6 135.0 85.8 72.4 2.1 15 16 A H > - 0 0 13 180,-0.2 4,-2.3 -2,-0.1 3,-0.3 -0.769 42.9 -90.9-134.2-178.6 84.3 75.8 1.0 16 17 A I H > S+ 0 0 53 178,-1.9 4,-2.8 -2,-0.2 5,-0.3 0.728 120.4 64.0 -68.1 -18.1 83.7 79.3 2.4 17 18 A G H > S+ 0 0 7 177,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.931 110.0 37.9 -63.7 -48.5 80.3 78.2 3.6 18 19 A H H > S+ 0 0 41 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.905 119.1 49.5 -62.6 -43.2 81.9 75.8 6.0 19 20 A M H X S+ 0 0 16 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.901 110.1 47.6 -72.7 -39.0 84.7 78.2 6.8 20 21 A R H X S+ 0 0 109 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.919 111.5 53.9 -66.7 -37.1 82.6 81.2 7.5 21 22 A S H X S+ 0 0 11 -4,-1.6 4,-2.2 -5,-0.3 5,-0.2 0.882 109.4 47.3 -65.3 -35.2 80.4 79.0 9.7 22 23 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.869 110.9 50.2 -75.7 -34.8 83.5 77.9 11.7 23 24 A V H X S+ 0 0 37 -4,-2.1 4,-2.0 -5,-0.2 5,-0.2 0.981 113.8 47.3 -60.7 -50.5 84.8 81.4 12.2 24 25 A E H X S+ 0 0 57 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.897 111.7 47.4 -60.9 -44.8 81.4 82.5 13.4 25 26 A M H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 6,-0.3 0.889 109.2 54.3 -73.7 -26.2 80.8 79.7 15.8 26 27 A A H X>S+ 0 0 0 -4,-1.6 5,-1.7 -5,-0.2 4,-0.8 0.946 112.4 44.7 -67.2 -35.3 84.2 80.1 17.3 27 28 A E H ><5S+ 0 0 113 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.920 112.0 51.1 -73.1 -40.4 83.5 83.8 17.9 28 29 A Q H 3<5S+ 0 0 69 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.886 120.6 35.0 -64.6 -28.1 80.1 83.1 19.3 29 30 A F H 3<5S- 0 0 1 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.410 99.4-131.8-104.3 2.9 81.5 80.5 21.7 30 31 A A T <<5 - 0 0 73 -4,-0.8 -3,-0.2 -3,-0.6 -27,-0.2 0.903 40.8-174.6 43.5 47.0 84.8 82.2 22.4 31 32 A L < - 0 0 4 -5,-1.7 -27,-0.2 -6,-0.3 3,-0.2 -0.420 36.1-140.5 -69.2 146.7 86.5 78.9 21.8 32 33 A D S S- 0 0 92 -29,-2.1 2,-0.3 1,-0.3 -28,-0.2 0.888 90.3 -8.1 -61.6 -39.9 90.2 78.4 22.3 33 34 A E E -b 4 0A 44 -30,-1.2 -28,-2.7 34,-0.1 2,-0.5 -0.982 57.1-147.1-161.5 142.3 90.1 76.3 19.2 34 35 A L E -bc 5 69A 0 34,-3.6 36,-2.3 -2,-0.3 2,-0.5 -0.981 21.0-152.3-115.2 117.2 87.6 74.9 16.7 35 36 A R E -bc 6 70A 21 -30,-2.2 -28,-3.1 -2,-0.5 2,-0.4 -0.743 6.9-143.0 -89.6 120.4 88.7 71.5 15.1 36 37 A L E -bc 7 71A 0 34,-3.2 36,-2.6 -2,-0.5 -28,-0.2 -0.696 17.2-157.1 -75.0 137.6 87.4 70.7 11.7 37 38 A L E -b 8 0A 10 -30,-4.2 -28,-1.9 -2,-0.4 2,-0.1 -0.769 2.3-151.7-124.4 86.8 86.7 66.9 11.7 38 39 A P E -b 9 0A 0 0, 0.0 37,-0.2 0, 0.0 -28,-0.2 -0.357 24.1-123.1 -61.8 132.1 86.7 65.4 8.3 39 40 A N - 0 0 49 -30,-2.9 2,-0.3 -2,-0.1 37,-0.0 -0.429 12.5-126.3 -83.0 148.0 84.5 62.4 8.2 40 41 A A + 0 0 22 -2,-0.1 36,-0.1 40,-0.1 -1,-0.1 -0.680 34.4 166.7 -85.9 142.2 85.5 58.8 7.2 41 42 A R - 0 0 56 -2,-0.3 5,-0.1 35,-0.0 11,-0.1 -0.950 46.3 -74.5-150.1 165.4 83.5 57.1 4.5 42 43 A P > - 0 0 44 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.308 47.7-116.5 -55.3 142.9 84.0 53.9 2.4 43 44 A P G > S+ 0 0 77 0, 0.0 3,-1.9 0, 0.0 324,-0.0 0.891 116.3 56.2 -53.2 -36.9 86.6 54.5 -0.4 44 45 A H G 3 S+ 0 0 31 1,-0.3 339,-0.3 338,-0.1 301,-0.1 0.534 98.7 63.8 -79.8 8.9 84.0 54.0 -3.1 45 46 A R G < S+ 0 0 97 -3,-2.3 -1,-0.3 2,-0.1 2,-0.2 0.441 86.0 96.6 -96.9 -5.4 82.0 56.8 -1.4 46 47 A E S < S- 0 0 25 -3,-1.9 5,-0.1 -4,-0.3 3,-0.1 -0.522 94.2 -91.5 -82.6 152.3 84.7 59.3 -2.2 47 48 A T > - 0 0 27 3,-0.3 3,-2.5 -2,-0.2 -1,-0.1 -0.472 58.8 -97.9 -59.8 129.0 84.6 61.5 -5.2 48 49 A P T 3 S+ 0 0 74 0, 0.0 161,-0.2 0, 0.0 -1,-0.1 -0.321 110.3 11.5 -56.0 138.2 86.5 59.5 -7.9 49 50 A Q T 3 S+ 0 0 117 -3,-0.1 160,-0.3 1,-0.1 2,-0.3 0.660 107.6 97.2 50.5 34.7 90.0 60.8 -7.9 50 51 A V < - 0 0 2 -3,-2.5 -3,-0.3 158,-0.1 -1,-0.1 -0.846 64.0-157.5-135.4 102.5 89.6 62.8 -4.7 51 52 A S > - 0 0 48 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.143 31.4-112.4 -72.3 165.1 91.0 60.7 -1.8 52 53 A A H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.843 121.4 60.5 -64.8 -28.4 90.1 61.0 1.8 53 54 A A H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.867 104.9 45.5 -62.9 -36.6 93.8 62.1 2.1 54 55 A Q H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.874 108.1 55.4 -80.8 -31.1 93.2 65.1 -0.3 55 56 A R H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 5,-0.2 0.935 111.2 49.0 -59.4 -42.1 89.9 66.1 1.5 56 57 A L H X S+ 0 0 22 -4,-2.0 4,-2.3 -5,-0.2 3,-0.3 0.980 109.3 49.0 -57.8 -54.4 92.2 66.2 4.6 57 58 A A H X S+ 0 0 15 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.881 107.8 55.1 -60.4 -35.1 94.9 68.3 3.0 58 59 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.893 108.2 48.1 -66.5 -37.4 92.4 70.8 1.7 59 60 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 -3,-0.3 -1,-0.2 0.874 110.2 53.5 -67.4 -33.7 91.0 71.3 5.2 60 61 A E H X S+ 0 0 89 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.938 109.3 47.1 -63.8 -38.6 94.6 71.7 6.3 61 62 A R H < S+ 0 0 126 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.851 109.5 57.9 -66.5 -40.4 95.2 74.4 3.7 62 63 A A H < S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.803 112.8 35.2 -58.0 -40.8 91.9 76.0 4.8 63 64 A V H >< S+ 0 0 14 -4,-1.9 3,-2.8 -3,-0.1 6,-0.3 0.509 82.2 134.9 -98.6 -1.6 92.9 76.4 8.5 64 65 A A T 3< S- 0 0 58 -4,-0.8 3,-0.1 -3,-0.4 134,-0.1 -0.272 89.0 -12.2 -50.4 114.3 96.6 77.2 7.8 65 66 A G T 3 S+ 0 0 87 1,-0.2 2,-0.5 4,-0.1 -1,-0.3 0.730 100.1 139.0 60.7 23.5 97.5 80.2 10.0 66 67 A V X - 0 0 48 -3,-2.8 3,-1.3 3,-0.3 -1,-0.2 -0.914 60.3-106.9 -99.3 133.8 93.9 80.9 10.7 67 68 A E T 3 S- 0 0 130 -2,-0.5 3,-0.1 1,-0.2 -34,-0.1 -0.415 91.8 -6.0 -65.5 129.2 93.3 81.9 14.3 68 69 A R T 3 S+ 0 0 83 -2,-0.2 -34,-3.6 1,-0.2 2,-0.5 0.484 103.8 114.6 72.1 15.0 91.6 79.3 16.6 69 70 A L E < +c 34 0A 10 -3,-1.3 -3,-0.3 -6,-0.3 2,-0.2 -0.959 33.9 159.1-122.1 128.3 91.0 76.8 13.7 70 71 A T E -c 35 0A 44 -36,-2.3 -34,-3.2 -2,-0.5 2,-0.4 -0.755 33.9-119.0-133.1 178.0 92.6 73.3 13.5 71 72 A V E -c 36 0A 31 -36,-0.2 -34,-0.2 -2,-0.2 -36,-0.1 -0.996 12.5-160.0-126.4 127.0 92.0 70.0 11.8 72 73 A D - 0 0 9 -36,-2.6 3,-0.4 -2,-0.4 -2,-0.0 -0.916 10.0-179.9 -98.3 109.6 91.5 66.7 13.7 73 74 A P >> + 0 0 35 0, 0.0 3,-2.9 0, 0.0 4,-0.6 0.546 45.8 113.6 -88.5 -2.7 92.3 63.8 11.3 74 75 A R G >4 S+ 0 0 43 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.668 71.3 56.1 -49.3 -31.6 91.6 61.0 13.8 75 76 A E G >4 S+ 0 0 13 -3,-0.4 3,-0.5 -37,-0.2 -1,-0.3 0.823 107.5 50.2 -70.3 -25.4 88.5 59.6 12.0 76 77 A L G <4 S+ 0 0 37 -3,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.545 103.8 60.0 -84.5 -6.2 90.6 59.2 8.8 77 78 A Q G << S+ 0 0 125 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.467 95.0 78.6-101.8 -7.4 93.3 57.3 10.8 78 79 A R S < S- 0 0 148 -3,-0.5 -3,-0.1 -4,-0.4 -2,-0.0 0.253 90.7-111.3 -74.3-152.4 90.8 54.7 11.8 79 80 A D S S+ 0 0 116 1,-0.3 -3,-0.1 -39,-0.0 -4,-0.0 0.524 83.0 6.3-126.6 -28.9 89.7 51.9 9.6 80 81 A K S S- 0 0 119 -5,-0.1 2,-2.8 -38,-0.1 -1,-0.3 -0.913 101.6 -60.2-151.7 171.2 86.0 52.5 8.7 81 82 A P S S- 0 0 48 0, 0.0 -5,-0.1 0, 0.0 -6,-0.0 -0.361 72.8-170.2 -58.2 76.6 83.3 55.1 9.1 82 83 A S - 0 0 23 -2,-2.8 2,-0.3 -7,-0.3 -42,-0.1 0.271 22.8 -79.0 -58.4-167.9 83.6 54.8 12.9 83 84 A Y >> - 0 0 102 1,-0.1 4,-2.2 33,-0.0 3,-0.6 -0.744 18.9-133.0-108.9 145.5 81.2 56.3 15.4 84 85 A T H 3> S+ 0 0 39 -2,-0.3 4,-3.8 1,-0.3 5,-0.2 0.897 110.1 59.1 -60.3 -31.8 81.0 59.8 16.7 85 86 A I H 3> S+ 0 0 1 32,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.885 104.1 50.4 -67.1 -34.2 80.8 58.5 20.2 86 87 A D H <> S+ 0 0 46 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.861 111.7 48.4 -62.2 -42.7 84.2 56.8 19.6 87 88 A T H X S+ 0 0 7 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.957 112.2 49.0 -65.6 -47.2 85.5 60.1 18.4 88 89 A L H X S+ 0 0 0 -4,-3.8 4,-2.2 2,-0.2 -2,-0.2 0.918 112.1 47.9 -55.7 -44.4 84.0 61.8 21.4 89 90 A E H X S+ 0 0 70 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.935 113.7 48.2 -63.5 -46.3 85.5 59.2 23.8 90 91 A S H X S+ 0 0 58 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.913 112.0 46.7 -60.9 -50.5 88.9 59.5 22.1 91 92 A V H >X S+ 0 0 0 -4,-3.1 3,-1.4 -5,-0.2 4,-0.5 0.935 108.7 59.0 -55.8 -41.8 89.0 63.3 22.2 92 93 A R H >< S+ 0 0 37 -4,-2.2 3,-2.6 -5,-0.3 -2,-0.2 0.928 97.9 55.9 -54.6 -50.7 87.9 63.3 25.9 93 94 A A H 3< S+ 0 0 96 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.668 107.1 52.7 -62.1 -14.4 90.8 61.3 27.2 94 95 A E H << S+ 0 0 121 -3,-1.4 -1,-0.3 -4,-0.6 2,-0.2 0.480 103.6 72.9 -91.9 -10.8 93.1 63.9 25.7 95 96 A L S << S- 0 0 22 -3,-2.6 2,-0.1 -4,-0.5 -3,-0.0 -0.618 89.2-103.4-102.6 167.2 91.4 66.7 27.4 96 97 A A > - 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