==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-DEC-10 3PZJ . COMPND 2 MOLECULE: PROBABLE ACETYLTRANSFERASES; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; . AUTHOR B.NOCEK,A.STEIN,L.BIGELOW,B.FELDMANN,A.JOACHIMIAK,MIDWEST CE . 381 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 23.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 27 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 2 0 0 0 0 2 0 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 1 2 3 2 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 . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 7 A S 0 0 122 0, 0.0 3,-0.1 0, 0.0 345,-0.0 0.000 360.0 360.0 360.0 143.7 14.6 12.9 -24.2 2 8 A P - 0 0 14 0, 0.0 371,-0.0 0, 0.0 343,-0.0 0.042 360.0 -79.2 -62.7 157.0 13.6 12.9 -20.6 3 9 A P - 0 0 96 0, 0.0 2,-0.6 0, 0.0 370,-0.0 -0.114 30.4-135.0 -54.0 144.7 15.0 15.2 -17.9 4 10 A I - 0 0 111 -3,-0.1 336,-0.2 336,-0.1 335,-0.1 -0.934 28.0-140.7 -90.9 120.7 18.4 14.5 -16.3 5 11 A A - 0 0 23 334,-1.7 337,-0.1 -2,-0.6 3,-0.1 -0.680 12.7-133.0 -83.8 137.0 17.7 15.2 -12.6 6 12 A P - 0 0 98 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.200 37.9 -72.8 -72.8 178.3 20.4 16.9 -10.6 7 13 A S - 0 0 98 333,-0.0 361,-0.0 361,-0.0 0, 0.0 -0.396 54.0-164.4 -64.2 143.9 21.8 15.9 -7.2 8 14 A T - 0 0 59 361,-0.1 3,-0.1 -3,-0.1 -1,-0.0 -0.940 22.8 -93.2-130.8 159.0 19.3 16.6 -4.3 9 15 A P - 0 0 105 0, 0.0 360,-0.5 0, 0.0 -1,-0.0 -0.194 50.2 -87.8 -64.3 160.8 19.7 16.8 -0.6 10 16 A L - 0 0 98 358,-0.1 2,-0.5 1,-0.1 358,-0.2 -0.343 45.3-108.0 -55.3 147.7 19.0 13.9 1.7 11 17 A L > - 0 0 45 356,-3.9 3,-0.9 -3,-0.1 2,-0.3 -0.774 37.0-124.2 -82.4 128.4 15.5 13.5 2.9 12 18 A A T 3 S- 0 0 105 -2,-0.5 -1,-0.0 1,-0.3 355,-0.0 -0.552 83.4 -2.9 -82.4 130.1 15.2 14.4 6.6 13 19 A G T 3 S+ 0 0 76 -2,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.843 85.1 176.1 63.1 34.9 13.8 11.9 9.0 14 20 A W < + 0 0 42 -3,-0.9 2,-0.3 353,-0.1 -1,-0.2 -0.515 7.3 153.7 -68.8 133.9 13.1 9.3 6.3 15 21 A R - 0 0 204 -2,-0.2 0, 0.0 128,-0.2 0, 0.0 -0.965 50.5 -71.6-148.7 167.2 11.7 6.0 7.5 16 22 A S - 0 0 68 -2,-0.3 91,-0.2 1,-0.1 90,-0.1 -0.215 54.6-112.0 -57.2 144.5 9.5 3.2 6.2 17 23 A A - 0 0 3 89,-2.4 126,-0.2 88,-0.2 -1,-0.1 -0.349 39.7 -95.9 -73.0 159.9 5.9 4.1 5.8 18 24 A G - 0 0 29 124,-2.9 -1,-0.1 121,-0.2 124,-0.1 -0.205 35.5 -96.9 -78.0 168.8 3.3 2.3 8.1 19 25 A K - 0 0 67 1,-0.1 -1,-0.1 85,-0.0 3,-0.1 -0.314 53.8 -82.4 -76.7 164.7 1.1 -0.7 7.5 20 26 A A - 0 0 23 1,-0.1 -1,-0.1 -2,-0.1 62,-0.0 -0.394 59.2 -91.6 -71.7 143.6 -2.6 -0.3 6.4 21 27 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.316 28.3-161.0 -61.1 142.9 -4.9 0.5 9.2 22 28 A E S S+ 0 0 96 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.396 74.8 62.5 -98.0 -5.5 -6.5 -2.6 10.7 23 29 A A S S- 0 0 70 1,-0.1 9,-0.0 10,-0.1 0, 0.0 -0.788 102.7 -73.9-113.6 166.9 -9.3 -0.5 12.3 24 30 A A - 0 0 45 -2,-0.3 2,-0.6 10,-0.1 9,-0.2 -0.272 36.2-134.7 -62.6 144.4 -12.0 1.6 10.6 25 31 A I E -A 32 0A 18 7,-2.4 7,-2.5 -4,-0.1 2,-0.4 -0.901 27.5-153.6-101.7 112.1 -11.1 4.9 9.1 26 32 A R E +A 31 0A 82 -2,-0.6 5,-0.2 5,-0.2 2,-0.2 -0.754 19.9 168.6-100.4 129.7 -13.8 7.4 10.1 27 33 A G - 0 0 30 3,-2.9 104,-0.0 -2,-0.4 -1,-0.0 -0.409 50.2 -86.6-113.7-160.0 -14.8 10.5 8.2 28 34 A E S S+ 0 0 92 -2,-0.2 3,-0.1 1,-0.1 62,-0.0 0.929 120.4 5.8 -77.2 -46.8 -17.6 12.9 8.4 29 35 A A S S+ 0 0 41 97,-0.1 61,-2.1 1,-0.1 2,-0.3 0.499 129.2 46.6-115.4 -10.4 -20.2 11.1 6.2 30 36 A V E - B 0 89A 1 59,-0.3 -3,-2.9 60,-0.1 2,-0.4 -0.943 54.6-161.1-132.4 153.5 -18.4 7.8 5.6 31 37 A S E -AB 26 88A 6 57,-2.4 57,-2.4 -2,-0.3 2,-0.6 -0.996 14.7-144.9-129.6 142.8 -16.5 5.2 7.4 32 38 A L E -AB 25 87A 0 -7,-2.5 -7,-2.4 -2,-0.4 55,-0.2 -0.925 19.7-160.9-105.1 113.0 -14.1 2.7 5.7 33 39 A Q E - B 0 86A 62 53,-2.4 53,-3.0 -2,-0.6 3,-0.1 -0.870 28.6-102.0 -99.7 135.5 -14.3 -0.7 7.4 34 40 A P E - B 0 85A 39 0, 0.0 51,-0.3 0, 0.0 2,-0.1 -0.246 47.8-110.4 -53.0 131.8 -11.6 -3.2 7.0 35 41 A L - 0 0 19 49,-2.5 2,-0.6 1,-0.1 49,-0.2 -0.366 25.3-163.4 -77.0 141.1 -12.9 -5.7 4.7 36 42 A D >>> - 0 0 74 1,-0.2 4,-2.5 -2,-0.1 3,-1.5 -0.885 13.6-156.8-119.9 88.8 -13.7 -9.1 6.1 37 43 A A H 3>5S+ 0 0 8 -2,-0.6 4,-1.3 1,-0.3 -1,-0.2 0.859 87.8 39.4 -47.1 -50.8 -13.9 -11.1 2.8 38 44 A P H 345S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.708 122.6 41.7 -72.9 -22.2 -16.1 -13.9 4.1 39 45 A R H <45S+ 0 0 153 -3,-1.5 4,-0.3 2,-0.1 3,-0.3 0.887 124.6 32.2 -84.3 -51.1 -18.4 -11.7 6.2 40 46 A H H X5S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.638 99.4 93.3 -80.0 -18.2 -18.9 -8.6 3.9 41 47 A G H X S+ 0 0 19 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.915 113.6 50.6 -64.6 -37.2 -22.4 -11.7 0.1 43 49 A A H > S+ 0 0 38 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.911 112.7 46.0 -64.4 -43.7 -23.5 -8.1 0.5 44 50 A L H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.895 109.3 55.5 -69.0 -39.0 -20.9 -6.8 -1.8 45 51 A F H >X S+ 0 0 38 -4,-2.5 4,-1.8 1,-0.2 3,-1.2 0.939 107.1 49.9 -54.2 -49.6 -21.7 -9.5 -4.3 46 52 A R H 3X S+ 0 0 157 -4,-2.2 4,-0.6 1,-0.3 -1,-0.2 0.825 99.2 67.5 -59.5 -35.1 -25.4 -8.4 -4.4 47 53 A L H 3< S+ 0 0 53 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.820 117.9 20.5 -57.9 -33.2 -24.4 -4.8 -5.0 48 54 A F H X< S+ 0 0 7 -3,-1.2 3,-0.7 -4,-0.8 -1,-0.2 0.570 95.4 98.3-111.4 -14.2 -23.0 -5.6 -8.5 49 55 A A H 3< S+ 0 0 51 -4,-1.8 3,-0.2 1,-0.2 -2,-0.1 0.770 82.6 58.5 -45.3 -34.8 -24.8 -8.9 -9.3 50 56 A G T 3< S+ 0 0 77 -4,-0.6 2,-0.6 1,-0.2 -1,-0.2 0.913 106.4 35.5 -66.1 -54.0 -27.3 -6.9 -11.2 51 57 A D X - 0 0 95 -3,-0.7 3,-2.1 1,-0.1 -1,-0.2 -0.844 56.4-170.7-116.3 99.6 -25.3 -5.0 -13.9 52 58 A D G > S+ 0 0 93 -2,-0.6 3,-1.4 1,-0.3 4,-0.2 0.652 77.9 81.6 -60.0 -17.3 -22.3 -6.9 -15.4 53 59 A S G > S+ 0 0 62 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.726 72.7 81.5 -62.9 -18.5 -21.2 -3.7 -17.2 54 60 A H G < S+ 0 0 45 -3,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.845 92.9 45.9 -49.6 -37.8 -19.6 -2.7 -13.9 55 61 A W G X S+ 0 0 8 -3,-1.4 3,-2.4 1,-0.2 -1,-0.3 0.476 78.9 113.9 -90.3 0.5 -16.6 -5.0 -14.6 56 62 A E T < S+ 0 0 118 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.748 88.9 25.0 -52.2 -44.5 -16.1 -3.8 -18.3 57 63 A H T 3 S+ 0 0 37 -3,-0.4 95,-0.4 -4,-0.2 -1,-0.3 0.197 106.5 96.3-106.8 16.9 -12.7 -2.1 -17.8 58 64 A L S < S- 0 0 27 -3,-2.4 93,-0.0 2,-0.2 -3,-0.0 -0.771 77.2-124.1-107.7 155.8 -11.5 -4.1 -14.8 59 65 A P S S+ 0 0 63 0, 0.0 2,-0.3 0, 0.0 121,-0.2 0.337 91.7 40.7 -83.0 13.1 -9.3 -7.1 -14.7 60 66 A Y S S+ 0 0 29 -5,-0.2 -2,-0.2 119,-0.1 3,-0.1 -0.940 76.9 62.9-147.6 172.5 -11.9 -9.2 -12.8 61 67 A G + 0 0 13 1,-0.3 2,-0.2 -2,-0.3 -3,-0.0 0.010 24.5 115.4 75.3 165.0 -15.5 -9.9 -12.8 62 68 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.705 57.9-146.2 -70.9 168.0 -18.2 -10.6 -13.4 63 69 A F - 0 0 36 -2,-0.2 3,-0.1 -18,-0.1 4,-0.0 -0.884 9.4-143.7-107.7 131.2 -18.6 -13.4 -10.8 64 70 A E S S- 0 0 177 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.697 78.5 -19.3 -69.7 -23.3 -20.7 -16.4 -11.6 65 71 A D S >> S- 0 0 70 1,-0.1 4,-1.7 -3,-0.0 3,-0.6 -0.964 78.1 -80.2-167.3 173.7 -21.9 -16.6 -8.0 66 72 A E H 3> S+ 0 0 66 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.852 122.1 54.4 -50.5 -46.5 -21.3 -15.6 -4.4 67 73 A D H 3> S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.851 106.3 52.4 -61.4 -36.2 -18.7 -18.2 -3.7 68 74 A A H <> S+ 0 0 27 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.918 112.1 46.4 -66.6 -37.2 -16.6 -17.1 -6.7 69 75 A F H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.906 112.1 48.6 -73.4 -38.5 -16.7 -13.6 -5.5 70 76 A I H X S+ 0 0 36 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.917 110.6 52.7 -67.0 -38.3 -15.8 -14.5 -1.9 71 77 A T H X S+ 0 0 80 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.963 110.7 46.8 -62.2 -49.7 -13.0 -16.6 -3.3 72 78 A W H X S+ 0 0 43 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.898 113.7 49.1 -54.6 -45.8 -11.6 -13.6 -5.4 73 79 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.945 111.2 48.4 -63.4 -49.7 -11.9 -11.3 -2.4 74 80 A A H X S+ 0 0 41 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.895 113.5 45.7 -58.9 -49.4 -10.1 -13.6 -0.1 75 81 A L H X S+ 0 0 119 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.825 113.3 51.7 -65.1 -32.3 -7.2 -14.3 -2.5 76 82 A T H >< S+ 0 0 8 -4,-2.3 3,-1.0 -5,-0.3 -2,-0.2 0.964 113.5 42.5 -67.0 -48.8 -6.9 -10.5 -3.2 77 83 A V H 3< S+ 0 0 49 -4,-2.6 5,-0.2 1,-0.3 -2,-0.2 0.779 101.3 71.5 -71.2 -23.4 -6.8 -9.5 0.5 78 84 A A H 3< S+ 0 0 79 -4,-1.7 -1,-0.3 -5,-0.3 2,-0.2 0.788 74.6 100.0 -60.9 -26.6 -4.4 -12.4 1.3 79 85 A Q S X< S- 0 0 87 -3,-1.0 3,-1.8 -4,-0.6 -3,-0.0 -0.446 77.2-136.4 -62.5 135.7 -1.7 -10.6 -0.6 80 86 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.2 -2,-0.2 -3,-0.0 0.754 102.1 52.7 -67.4 -22.0 0.6 -8.8 1.9 81 87 A D T 3 S+ 0 0 37 22,-0.0 23,-1.8 24,-0.0 2,-0.4 0.334 99.4 75.0 -99.1 11.4 0.7 -5.7 -0.2 82 88 A T < + 0 0 10 -3,-1.8 2,-0.4 -5,-0.2 20,-0.2 -0.961 49.7 173.8-125.0 136.4 -3.1 -5.3 -0.6 83 89 A A E - C 0 101A 19 18,-2.1 18,-2.5 -2,-0.4 2,-0.3 -0.981 12.3-163.1-139.1 131.2 -5.7 -4.0 2.0 84 90 A L E - C 0 100A 6 -2,-0.4 -49,-2.5 16,-0.2 2,-0.3 -0.838 2.9-164.3-119.4 155.4 -9.3 -3.4 1.2 85 91 A Y E -BC 34 99A 2 14,-2.7 14,-2.0 -2,-0.3 2,-0.4 -0.961 18.8-127.0-136.4 147.9 -12.1 -1.5 3.0 86 92 A V E -BC 33 98A 0 -53,-3.0 -53,-2.4 -2,-0.3 2,-0.6 -0.820 23.9-130.5 -97.3 132.5 -15.8 -1.4 2.7 87 93 A V E +BC 32 97A 0 10,-2.8 9,-3.4 -2,-0.4 10,-0.7 -0.779 36.6 166.8 -87.5 119.8 -17.5 2.0 2.2 88 94 A C E -B 31 0A 0 -57,-2.4 -57,-2.4 -2,-0.6 7,-0.1 -0.938 43.0-100.9-125.2 147.6 -20.4 2.5 4.6 89 95 A A E > S-B 30 0A 37 5,-0.5 3,-2.5 -2,-0.3 -59,-0.3 -0.390 71.4 -66.5 -50.4 146.8 -22.4 5.6 5.6 90 96 A K T 3 S- 0 0 41 -61,-2.1 -1,-0.2 1,-0.3 3,-0.1 -0.198 120.6 -3.7 -47.1 125.1 -21.0 7.0 8.9 91 97 A D T 3 S+ 0 0 169 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.653 108.6 118.1 59.0 24.1 -21.8 4.6 11.7 92 98 A S < - 0 0 41 -3,-2.5 -1,-0.2 2,-0.1 -61,-0.1 -0.816 58.4-148.8-109.2 159.7 -23.7 2.1 9.5 93 99 A D + 0 0 136 -2,-0.3 2,-0.8 -3,-0.1 -3,-0.1 0.221 61.9 117.6-103.7 7.3 -23.0 -1.5 8.5 94 100 A Q - 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