==== 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 05-SEP-06 2I9D . COMPND 2 MOLECULE: CHLORAMPHENICOL ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR N.E.C.DUKE,H.LI,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR S . 600 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 36 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 1 0 1 1 1 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 3 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 . 3 2 10 5 0 1 0 0 3 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 3 0 0 0 0 3 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 X 0 0 184 0, 0.0 80,-3.1 0, 0.0 81,-0.6 0.000 360.0 360.0 360.0 120.3 49.1 71.9 16.5 2 2 A K E -A 80 0A 82 78,-0.3 2,-0.4 79,-0.1 78,-0.2 -0.941 360.0-112.4-162.3 164.4 45.5 71.8 17.6 3 3 A Q E -A 79 0A 112 76,-2.4 76,-2.0 -2,-0.3 2,-0.4 -0.967 24.2-129.0-116.0 131.9 42.9 72.5 20.3 4 4 A I E -A 78 0A 84 -2,-0.4 2,-0.4 74,-0.2 74,-0.2 -0.648 38.8-126.2 -68.1 127.8 40.9 69.9 22.2 5 5 A I - 0 0 20 72,-2.1 2,-1.1 -2,-0.4 72,-0.2 -0.713 5.0-128.5 -87.8 129.6 37.3 71.2 21.7 6 6 A D - 0 0 93 -2,-0.4 3,-0.3 1,-0.2 -1,-0.1 -0.681 21.6-161.3 -71.5 101.7 35.1 71.8 24.7 7 7 A I S S+ 0 0 40 -2,-1.1 -1,-0.2 1,-0.2 6,-0.1 0.774 83.4 62.7 -57.8 -31.6 32.0 69.8 23.5 8 8 A E S S+ 0 0 126 -3,-0.1 -1,-0.2 5,-0.1 5,-0.1 0.925 114.7 32.8 -68.2 -45.6 29.7 71.5 26.0 9 9 A N S S+ 0 0 114 -3,-0.3 4,-0.2 4,-0.1 -4,-0.0 0.153 87.8 101.8 -75.9-149.9 30.3 74.8 24.3 10 10 A W S > S- 0 0 38 1,-0.1 3,-1.7 2,-0.1 -5,-0.0 0.740 74.1-122.2 66.8 114.8 30.9 74.4 20.5 11 11 A E T 3 S+ 0 0 163 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.708 108.2 55.5 -62.3 -22.3 28.0 75.2 18.3 12 12 A R T 3> + 0 0 15 1,-0.2 4,-3.3 2,-0.1 5,-0.3 0.254 67.9 114.2-101.5 11.8 27.9 71.7 16.7 13 13 A K H <> S+ 0 0 62 -3,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.918 86.1 38.8 -36.2 -58.5 27.6 69.7 20.0 14 14 A E H > S+ 0 0 131 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.843 113.8 53.9 -72.1 -37.0 24.2 68.5 18.9 15 15 A N H > S+ 0 0 39 -4,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.940 113.8 43.6 -58.3 -48.9 25.0 68.0 15.2 16 16 A F H X S+ 0 0 6 -4,-3.3 4,-1.0 1,-0.2 -2,-0.2 0.865 111.1 52.7 -67.6 -40.9 28.0 65.8 16.3 17 17 A N H < S+ 0 0 47 -4,-2.3 4,-0.4 -5,-0.3 -1,-0.2 0.823 101.9 61.5 -67.6 -29.5 26.1 63.8 18.9 18 18 A F H < S+ 0 0 137 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.931 113.1 35.4 -56.3 -47.0 23.3 63.0 16.4 19 19 A F H >< S+ 0 0 17 -4,-1.1 3,-1.9 1,-0.2 -1,-0.2 0.579 89.8 102.6 -87.3 -9.1 25.9 61.1 14.2 20 20 A R T 3< S+ 0 0 107 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.757 89.9 32.7 -43.7 -41.5 28.0 59.7 17.1 21 21 A H T 3 S+ 0 0 143 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.361 89.4 129.4-106.6 8.9 26.5 56.2 17.0 22 22 A F < - 0 0 16 -3,-1.9 532,-0.2 1,-0.1 533,-0.2 -0.360 59.5-138.4 -63.2 134.7 25.9 55.9 13.2 23 23 A Q S S+ 0 0 13 531,-2.2 531,-0.2 530,-0.4 143,-0.2 0.894 103.4 16.6 -50.3 -46.7 27.2 53.0 11.2 24 24 A N B +C 553 0B 23 529,-2.6 529,-2.3 141,-0.1 -1,-0.3 -0.870 65.8 171.2-136.1 100.6 28.2 55.5 8.5 25 25 A P + 0 0 1 0, 0.0 169,-3.0 0, 0.0 170,-0.4 0.260 52.9 100.9 -85.6 9.2 28.4 59.2 9.6 26 26 A Q E -D 193 0C 12 167,-0.2 2,-0.4 525,-0.1 167,-0.2 -0.609 53.0-159.7-100.0 151.3 30.0 60.2 6.4 27 27 A L E -D 192 0C 12 165,-2.2 165,-2.6 -2,-0.2 2,-0.4 -0.992 4.4-153.9-125.3 147.9 28.7 61.8 3.3 28 28 A S E +DE 191 550C 8 522,-1.5 522,-2.5 -2,-0.4 2,-0.3 -0.900 16.0 177.2-107.7 146.5 30.1 61.9 -0.2 29 29 A I E -DE 190 549C 0 161,-2.4 161,-2.4 -2,-0.4 2,-0.4 -0.994 14.1-161.4-144.3 144.5 29.4 64.7 -2.7 30 30 A T E +DE 189 548C 0 518,-1.9 517,-2.3 -2,-0.3 518,-1.3 -0.997 20.6 158.9-121.9 136.6 30.6 65.5 -6.2 31 31 A S E -D 188 0C 7 157,-2.1 157,-2.6 -2,-0.4 2,-0.4 -0.853 32.4-116.0-141.6 178.0 30.3 68.9 -7.8 32 32 A E E -D 187 0C 41 -2,-0.3 2,-0.4 155,-0.2 513,-0.1 -0.930 21.8-165.5-124.3 142.6 31.9 70.8 -10.7 33 33 A V E -D 186 0C 1 153,-2.4 153,-2.3 -2,-0.4 2,-0.3 -0.965 24.5-117.1-125.5 147.0 34.0 73.9 -10.7 34 34 A E E +D 185 0C 62 -2,-0.4 151,-0.3 151,-0.2 179,-0.2 -0.606 35.7 165.7 -74.0 141.7 35.2 76.3 -13.4 35 35 A C > + 0 0 0 149,-2.0 4,-1.8 -2,-0.3 150,-0.2 0.103 33.0 118.9-149.1 19.2 38.9 76.3 -13.7 36 36 A G H > S+ 0 0 12 148,-0.7 4,-2.0 2,-0.2 178,-0.2 0.886 78.0 53.6 -57.5 -43.6 39.6 78.0 -17.0 37 37 A G H > S+ 0 0 11 177,-1.0 4,-2.7 176,-0.3 3,-0.3 0.959 108.8 45.6 -54.8 -59.3 41.6 80.8 -15.3 38 38 A A H > S+ 0 0 1 175,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.847 110.9 55.3 -58.4 -33.9 44.0 78.5 -13.4 39 39 A R H X S+ 0 0 114 -4,-1.8 4,-2.3 174,-0.4 -1,-0.2 0.905 110.3 44.7 -66.2 -41.5 44.5 76.5 -16.6 40 40 A Q H X S+ 0 0 128 -4,-2.0 4,-2.7 -3,-0.3 5,-0.2 0.948 114.4 48.8 -61.9 -52.2 45.6 79.7 -18.5 41 41 A R H X S+ 0 0 100 -4,-2.7 4,-2.3 2,-0.2 6,-0.2 0.846 113.3 47.9 -53.8 -41.1 47.8 80.9 -15.7 42 42 A A H <>S+ 0 0 2 -4,-2.2 5,-2.5 -5,-0.2 4,-0.4 0.924 112.8 47.4 -68.1 -48.0 49.5 77.4 -15.4 43 43 A K H ><5S+ 0 0 185 -4,-2.3 3,-0.6 3,-0.2 -2,-0.2 0.889 115.4 46.0 -58.9 -42.8 50.0 77.2 -19.2 44 44 A A H 3<5S+ 0 0 91 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.918 114.7 45.6 -70.5 -44.7 51.5 80.7 -19.3 45 45 A A T 3<5S- 0 0 59 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.432 110.5-121.0 -76.8 1.8 53.7 80.2 -16.3 46 46 A G T < 5 + 0 0 71 -3,-0.6 -3,-0.2 -4,-0.4 2,-0.1 0.742 68.0 142.1 61.9 25.5 54.9 76.8 -17.6 47 47 A Q < - 0 0 53 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.2 -0.424 61.2 -89.5 -99.8 166.9 53.5 75.3 -14.4 48 48 A S > - 0 0 45 1,-0.2 4,-1.1 -2,-0.1 3,-0.4 -0.632 23.7-156.5 -75.6 118.5 51.7 72.2 -13.3 49 49 A F H > S+ 0 0 19 -2,-0.5 4,-2.0 1,-0.2 3,-0.5 0.893 93.4 65.7 -62.1 -36.9 47.9 72.7 -13.5 50 50 A F H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 100.5 48.4 -46.3 -46.9 47.6 69.8 -10.9 51 51 A L H > S+ 0 0 2 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.785 105.9 59.2 -71.8 -27.0 49.4 72.0 -8.3 52 52 A H H X S+ 0 0 18 -4,-1.1 4,-1.8 -3,-0.5 -2,-0.2 0.930 113.7 35.0 -66.0 -47.7 47.1 74.9 -9.0 53 53 A Y H X S+ 0 0 11 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.823 114.1 58.7 -77.7 -26.4 43.9 73.0 -8.2 54 54 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.930 109.4 45.2 -62.7 -44.8 45.7 71.1 -5.4 55 55 A Y H X S+ 0 0 10 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.932 110.1 54.1 -60.9 -48.6 46.4 74.5 -3.8 56 56 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.899 113.0 43.1 -52.5 -46.3 42.8 75.7 -4.4 57 57 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.917 115.2 48.0 -68.2 -45.3 41.4 72.7 -2.6 58 58 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.893 111.9 50.6 -64.9 -40.7 44.0 72.8 0.3 59 59 A R H X S+ 0 0 67 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.897 108.1 51.9 -63.8 -44.7 43.5 76.6 0.8 60 60 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.860 108.9 51.1 -59.4 -36.5 39.6 76.2 1.0 61 61 A A H < S+ 0 0 1 -4,-1.7 6,-0.3 1,-0.2 -1,-0.2 0.852 113.2 45.1 -71.6 -36.7 40.0 73.5 3.7 62 62 A N H < S+ 0 0 12 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.903 113.5 50.4 -69.6 -39.1 42.3 75.7 5.7 63 63 A E H < S+ 0 0 73 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.663 102.8 60.8 -80.3 -17.6 40.0 78.8 5.3 64 64 A I S >< S- 0 0 6 -4,-1.4 3,-2.2 -5,-0.1 -1,-0.1 -0.928 75.8-154.9-110.6 106.8 36.7 77.1 6.3 65 65 A P G > S+ 0 0 50 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.690 86.1 70.1 -65.2 -20.6 37.2 76.0 9.9 66 66 A E G > S+ 0 0 27 1,-0.3 3,-0.7 2,-0.2 -5,-0.1 0.756 94.1 59.6 -62.6 -23.4 34.6 73.2 9.8 67 67 A F G < S+ 0 0 1 -3,-2.2 -1,-0.3 -6,-0.3 -6,-0.1 0.360 96.9 61.1 -85.9 3.0 37.1 71.3 7.5 68 68 A R G < S+ 0 0 44 -3,-1.7 12,-2.2 -4,-0.1 2,-0.3 0.388 78.7 108.2-107.4 -4.3 39.8 71.3 10.1 69 69 A Y E < +B 79 0A 31 -3,-0.7 2,-0.3 -4,-0.2 10,-0.2 -0.633 44.8 172.5 -81.0 135.5 37.8 69.3 12.7 70 70 A R E -B 78 0A 7 8,-2.5 8,-2.7 -2,-0.3 2,-0.8 -0.932 39.8-123.3-138.0 155.6 38.9 65.7 13.3 71 71 A I E -B 77 0A 28 97,-0.4 6,-0.2 -2,-0.3 5,-0.1 -0.947 44.2-140.5 -96.2 110.6 38.2 62.8 15.6 72 72 A D > - 0 0 6 4,-3.0 3,-2.8 -2,-0.8 68,-0.1 -0.149 26.3 -93.3 -69.5 166.3 41.7 62.2 17.0 73 73 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 66,-0.0 0.836 127.9 54.6 -49.3 -35.9 43.2 58.7 17.7 74 74 A D T 3 S- 0 0 92 2,-0.1 -2,-0.1 65,-0.1 -3,-0.0 0.356 123.0-106.4 -80.9 5.5 41.9 58.9 21.3 75 75 A G S < S+ 0 0 46 -3,-2.8 2,-0.4 1,-0.3 -1,-0.1 0.511 75.9 135.9 83.0 6.2 38.4 59.6 20.0 76 76 A R - 0 0 119 -5,-0.1 -4,-3.0 1,-0.0 2,-0.4 -0.708 59.7-116.4 -90.4 138.1 38.4 63.3 21.0 77 77 A V E + B 0 71A 8 -2,-0.4 -72,-2.1 -6,-0.2 2,-0.3 -0.570 44.1 175.8 -67.9 125.6 37.1 66.0 18.8 78 78 A V E -AB 4 70A 0 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.5 -0.917 28.0-143.8-131.2 157.1 39.9 68.4 17.9 79 79 A L E -AB 3 69A 19 -76,-2.0 -76,-2.4 -2,-0.3 2,-0.2 -0.986 20.4-144.4-123.2 117.7 40.5 71.4 15.6 80 80 A Y E -A 2 0A 5 -12,-2.2 -78,-0.3 -2,-0.5 3,-0.1 -0.597 8.9-141.0 -80.4 141.2 43.8 71.6 13.8 81 81 A D S S+ 0 0 87 -80,-3.1 2,-0.3 -2,-0.2 -79,-0.1 0.923 88.2 19.2 -61.5 -44.3 45.5 75.1 13.3 82 82 A T - 0 0 72 -81,-0.6 2,-0.5 -14,-0.1 -1,-0.2 -0.966 66.9-149.4-137.7 144.7 46.6 74.0 9.9 83 83 A I - 0 0 0 -2,-0.3 60,-0.3 -25,-0.2 2,-0.2 -0.956 15.3-165.5-117.0 126.1 45.7 71.3 7.3 84 84 A D E -f 143 0C 22 58,-2.0 60,-2.1 -2,-0.5 2,-0.4 -0.562 21.0-105.6-104.5 175.9 48.3 69.8 4.9 85 85 A X E -fG 144 102C 0 17,-2.8 17,-3.3 58,-0.2 2,-0.4 -0.873 20.1-170.0-110.4 130.6 47.8 67.7 1.8 86 86 A L E +fG 145 101C 0 58,-2.5 60,-2.1 -2,-0.4 15,-0.2 -0.935 19.9 172.0-102.0 142.8 48.4 64.0 1.1 87 87 A S E - G 0 100C 1 13,-2.0 13,-2.0 -2,-0.4 2,-1.1 -0.959 36.4-123.6-152.7 135.3 48.2 63.0 -2.5 88 88 A P E - G 0 99C 27 0, 0.0 2,-0.5 0, 0.0 60,-0.4 -0.642 30.9-156.7 -76.1 98.1 49.0 59.8 -4.5 89 89 A I E - G 0 98C 22 9,-2.1 9,-3.1 -2,-1.1 2,-0.2 -0.629 18.4-122.6 -78.4 120.5 51.5 60.9 -7.1 90 90 A K E + G 0 97C 97 -2,-0.5 7,-0.3 7,-0.3 6,-0.1 -0.490 35.0 173.0 -64.1 126.5 51.6 58.6 -10.1 91 91 A I + 0 0 39 5,-3.2 2,-0.3 -2,-0.2 6,-0.2 0.604 59.7 37.3-110.7 -21.6 55.1 57.2 -10.5 92 92 A K S > S- 0 0 82 4,-1.9 3,-1.6 1,-0.0 -1,-0.2 -0.952 77.1-118.8-135.5 155.6 54.7 54.6 -13.3 93 93 A E T 3 S+ 0 0 159 -2,-0.3 -1,-0.0 1,-0.3 -3,-0.0 0.614 109.8 64.7 -69.6 -12.8 52.7 54.4 -16.5 94 94 A N T 3 S- 0 0 78 2,-0.0 -1,-0.3 303,-0.0 303,-0.1 0.197 127.8 -91.4 -90.7 10.1 50.8 51.3 -15.2 95 95 A G S < S+ 0 0 5 -3,-1.6 301,-0.2 1,-0.3 -2,-0.1 0.213 73.8 151.4 102.5 -13.8 49.2 53.3 -12.5 96 96 A K + 0 0 40 -6,-0.1 -5,-3.2 -5,-0.1 -4,-1.9 -0.212 21.2 178.9 -50.7 134.4 51.7 52.9 -9.6 97 97 A F E -G 90 0C 18 -7,-0.3 2,-0.4 -6,-0.2 -7,-0.3 -0.911 25.5-142.7-133.2 162.8 51.7 55.9 -7.4 98 98 A F E -G 89 0C 31 -9,-3.1 -9,-2.1 -2,-0.3 2,-0.3 -0.989 20.8-135.6-127.5 123.5 53.5 57.0 -4.3 99 99 A T E +G 88 0C 1 29,-1.1 32,-0.5 -2,-0.4 2,-0.3 -0.603 33.2 169.2 -76.4 134.8 51.5 58.9 -1.7 100 100 A T E -G 87 0C 29 -13,-2.0 -13,-2.0 -2,-0.3 2,-0.3 -0.947 31.2-106.2-145.9 164.6 53.3 62.0 -0.2 101 101 A R E -G 86 0C 68 -2,-0.3 -15,-0.2 -15,-0.2 44,-0.0 -0.739 20.9-168.8 -98.7 136.3 52.7 65.1 2.0 102 102 A F E -G 85 0C 0 -17,-3.3 -17,-2.8 -2,-0.3 2,-0.2 -0.989 21.0-133.8-121.8 121.3 52.6 68.7 0.8 103 103 A P - 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