==== 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 07-AUG-02 1MDO . COMPND 2 MOLECULE: ARNB AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR B.W.NOLAND,J.M.NEWMAN,J.HENDLE,J.BADGER,J.A.CHRISTOPHER,J.TR . 365 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 1 0.3 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 . 23 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 1 0 1 2 0 1 2 2 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 0 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 PARALLEL BRIDGES PER LADDER . 3 4 0 1 2 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 . 1 1 2 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 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 9 A D 0 0 103 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 76.9 32.0 55.0 19.9 2 10 A F - 0 0 115 1,-0.1 304,-0.2 304,-0.1 303,-0.1 -0.244 360.0-145.6 -55.4 137.7 29.9 51.9 20.0 3 11 A L B -a 306 0A 6 302,-2.9 304,-3.5 350,-0.1 -1,-0.1 -0.920 15.8-153.4-109.5 101.8 31.7 48.8 21.4 4 12 A P - 0 0 42 0, 0.0 3,-0.1 0, 0.0 305,-0.1 -0.267 25.4-115.1 -67.4 165.2 30.6 45.7 19.6 5 13 A F S S+ 0 0 45 1,-0.2 340,-2.4 303,-0.2 2,-0.3 0.730 98.6 19.1 -75.1 -19.7 30.7 42.3 21.3 6 14 A S - 0 0 21 338,-0.2 -1,-0.2 302,-0.1 340,-0.1 -0.994 57.6-175.7-149.3 147.9 33.3 41.2 18.7 7 15 A R - 0 0 60 -2,-0.3 341,-0.3 172,-0.1 2,-0.1 -0.986 33.9-115.8-138.1 134.3 35.7 42.6 16.2 8 16 A P - 0 0 64 0, 0.0 2,-1.7 0, 0.0 171,-0.1 -0.490 25.4-122.3 -69.7 144.5 37.8 40.6 13.7 9 17 A A + 0 0 10 -2,-0.1 2,-0.4 2,-0.0 174,-0.1 -0.527 49.0 164.1 -89.5 68.9 41.5 40.8 14.3 10 18 A X + 0 0 87 -2,-1.7 2,-0.2 3,-0.1 223,-0.0 -0.782 6.7 147.4 -90.2 129.3 42.3 42.1 10.8 11 19 A G > - 0 0 35 -2,-0.4 4,-1.7 0, 0.0 3,-0.3 -0.617 62.3 -59.5-139.1-156.7 45.7 43.7 10.2 12 20 A A H > S+ 0 0 79 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.847 125.4 59.1 -65.0 -34.1 48.5 44.1 7.7 13 21 A E H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 104.6 49.9 -61.4 -42.9 49.1 40.4 7.3 14 22 A E H > S+ 0 0 6 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.935 112.2 46.7 -65.2 -43.3 45.5 39.8 6.2 15 23 A L H X S+ 0 0 129 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.938 111.8 51.0 -64.4 -43.9 45.7 42.5 3.6 16 24 A A H X S+ 0 0 54 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.909 107.7 53.2 -60.2 -39.4 49.0 41.3 2.3 17 25 A A H X S+ 0 0 19 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.931 110.5 47.3 -62.1 -42.9 47.7 37.8 2.0 18 26 A V H X S+ 0 0 30 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.947 109.7 53.4 -62.2 -46.3 44.8 39.0 -0.1 19 27 A K H X S+ 0 0 121 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.924 106.0 52.9 -54.8 -46.0 47.1 41.1 -2.3 20 28 A T H X S+ 0 0 77 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.896 112.5 44.8 -57.8 -42.9 49.3 38.1 -3.1 21 29 A V H X>S+ 0 0 0 -4,-1.7 4,-1.1 2,-0.2 5,-0.5 0.949 113.0 49.8 -69.0 -43.4 46.3 36.1 -4.2 22 30 A L H ><5S+ 0 0 96 -4,-3.0 3,-0.7 1,-0.2 -2,-0.2 0.941 112.8 48.1 -59.2 -43.3 44.8 39.0 -6.3 23 31 A D H 3<5S+ 0 0 111 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.741 105.8 57.7 -68.6 -29.9 48.2 39.6 -8.0 24 32 A S H 3<5S- 0 0 78 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.733 98.7-135.5 -71.9 -30.6 48.7 35.9 -8.8 25 33 A G T <<5S+ 0 0 54 -4,-1.1 2,-0.9 -3,-0.7 3,-0.2 0.413 75.9 108.2 89.4 -5.2 45.4 35.7 -10.7 26 34 A W < + 0 0 143 -5,-0.5 -1,-0.2 1,-0.2 -2,-0.1 -0.803 36.3 154.4-107.4 87.1 44.4 32.4 -9.1 27 35 A I + 0 0 84 -2,-0.9 202,-1.8 201,-0.1 201,-0.3 0.696 48.4 58.1 -93.7 -21.4 41.6 33.7 -6.9 28 36 A T S S- 0 0 65 199,-0.2 5,-0.2 1,-0.2 198,-0.1 -0.185 108.0 -29.2-100.7-166.5 39.4 30.7 -6.4 29 37 A T S S+ 0 0 38 198,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.191 91.5 94.8 -48.1 127.3 40.1 27.3 -4.9 30 38 A G S >> S- 0 0 11 -3,-0.1 4,-1.9 -4,-0.1 3,-0.7 -0.681 82.5 -7.7-173.1-136.2 43.7 26.2 -5.4 31 39 A P H 3> S+ 0 0 54 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.824 124.8 56.1 -57.6 -35.7 47.1 26.2 -3.7 32 40 A K H 3> S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.888 107.5 51.2 -68.0 -32.5 46.0 28.4 -0.7 33 41 A N H <> S+ 0 0 3 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.924 109.8 48.8 -66.5 -43.2 43.2 25.9 0.0 34 42 A Q H X S+ 0 0 126 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.903 111.7 50.2 -63.5 -37.6 45.7 23.0 -0.1 35 43 A E H X S+ 0 0 94 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.898 109.6 50.2 -66.6 -39.5 48.0 25.0 2.3 36 44 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.891 111.1 49.1 -65.2 -41.7 45.2 25.7 4.7 37 45 A E H X S+ 0 0 31 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.937 111.9 48.2 -63.5 -45.2 44.2 22.0 4.8 38 46 A A H X S+ 0 0 55 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.916 111.2 51.7 -61.7 -39.7 47.8 21.0 5.4 39 47 A A H X S+ 0 0 24 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.882 107.8 51.0 -61.9 -43.8 48.1 23.6 8.1 40 48 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 6,-0.4 0.833 108.7 51.5 -67.5 -30.6 44.9 22.3 9.9 41 49 A C H X S+ 0 0 25 -4,-1.9 4,-2.9 2,-0.2 5,-0.4 0.942 112.2 46.6 -67.3 -44.1 46.3 18.7 9.8 42 50 A R H < S+ 0 0 216 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.943 114.2 48.8 -61.4 -45.7 49.5 20.0 11.4 43 51 A L H < S+ 0 0 40 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.909 122.6 30.1 -57.4 -51.3 47.6 22.0 14.0 44 52 A T H < S- 0 0 6 -4,-2.2 121,-0.3 -5,-0.1 -1,-0.2 0.764 97.9-123.7 -85.5 -31.9 45.2 19.3 15.0 45 53 A G < + 0 0 46 -4,-2.9 -3,-0.1 1,-0.3 -4,-0.1 0.432 68.0 129.5 96.2 1.2 47.3 16.1 14.5 46 54 A N - 0 0 7 -6,-0.4 -1,-0.3 -5,-0.4 147,-0.1 -0.298 60.2-127.6 -86.4 173.2 44.7 14.6 12.2 47 55 A Q S S+ 0 0 111 145,-0.4 2,-0.3 1,-0.2 146,-0.2 0.739 79.4 29.8 -92.1 -36.4 45.3 13.1 8.8 48 56 A Y E -B 192 0B 79 144,-2.0 144,-2.5 -8,-0.1 2,-0.3 -0.978 55.3-174.8-131.0 147.4 42.9 14.7 6.3 49 57 A A E -B 191 0B 2 -2,-0.3 2,-0.5 142,-0.2 142,-0.2 -0.997 7.5-164.7-143.8 137.9 41.3 18.2 6.0 50 58 A V E -B 190 0B 0 140,-2.8 140,-2.5 -2,-0.3 2,-0.2 -0.966 16.4-145.4-123.2 111.7 38.7 19.5 3.6 51 59 A A E +B 189 0B 0 -2,-0.5 175,-0.3 138,-0.2 2,-0.3 -0.593 25.6 178.4 -80.0 138.2 38.2 23.3 3.4 52 60 A V E -B 188 0B 0 136,-2.5 136,-2.0 -2,-0.2 173,-0.2 -0.856 43.0 -98.3-133.5 175.5 34.7 24.5 2.8 53 61 A S S S- 0 0 36 171,-2.1 2,-0.3 -2,-0.3 172,-0.1 0.698 99.2 -11.2 -75.0 -16.4 32.6 27.7 2.4 54 62 A S > - 0 0 26 170,-0.2 4,-1.8 132,-0.2 134,-0.4 -0.955 66.3-106.1-168.2 163.9 31.2 27.6 6.0 55 63 A A H > S+ 0 0 16 132,-0.6 4,-2.4 -2,-0.3 5,-0.2 0.849 121.6 58.4 -68.1 -31.8 31.0 25.3 9.0 56 64 A T H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.953 106.2 47.8 -57.9 -45.4 27.3 24.8 8.1 57 65 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 109.3 53.7 -60.9 -42.3 28.4 23.5 4.7 58 66 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.924 109.2 48.0 -58.7 -42.1 30.9 21.2 6.4 59 67 A X H X S+ 0 0 6 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.910 110.5 52.9 -64.9 -42.6 28.1 19.8 8.6 60 68 A H H X S+ 0 0 15 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.977 113.6 40.6 -57.3 -51.2 25.9 19.3 5.6 61 69 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.882 113.3 55.0 -73.6 -25.2 28.4 17.4 3.6 62 70 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.942 112.6 42.0 -70.1 -45.0 29.6 15.4 6.6 63 71 A L H <>S+ 0 0 0 -4,-2.8 5,-2.0 2,-0.2 4,-0.4 0.927 116.0 49.9 -67.6 -37.3 26.1 14.2 7.3 64 72 A X H ><5S+ 0 0 49 -4,-2.7 3,-1.9 -5,-0.3 -2,-0.2 0.938 106.0 55.7 -66.3 -38.9 25.5 13.6 3.6 65 73 A A H 3<5S+ 0 0 10 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.816 103.0 56.1 -64.8 -26.9 28.7 11.6 3.3 66 74 A L T 3<5S- 0 0 57 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.580 117.9-116.7 -78.0 -11.1 27.5 9.3 6.1 67 75 A G T < 5 + 0 0 58 -3,-1.9 -3,-0.2 -4,-0.4 -2,-0.1 0.690 51.5 172.2 80.2 27.3 24.4 8.7 4.0 68 76 A I < + 0 0 9 -5,-2.0 2,-0.2 53,-0.1 -1,-0.2 -0.406 18.3 118.7 -70.4 133.4 22.0 10.2 6.5 69 77 A G > + 0 0 14 23,-0.1 3,-2.1 1,-0.1 25,-0.3 -0.801 53.5 2.1-163.7-155.1 18.5 10.6 5.2 70 78 A E T 3 S+ 0 0 88 21,-0.3 23,-0.2 1,-0.3 -1,-0.1 -0.208 124.4 16.4 -49.8 130.2 14.8 9.7 5.6 71 79 A G T 3 S+ 0 0 47 21,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.040 99.4 116.4 95.6 -27.4 14.1 7.5 8.6 72 80 A D < - 0 0 31 -3,-2.1 22,-3.3 20,-0.1 2,-0.3 -0.466 53.2-144.4 -79.2 151.7 17.5 8.2 10.3 73 81 A E E -fg 94 120C 42 46,-2.8 48,-3.1 20,-0.2 49,-0.8 -0.857 7.5-163.6-113.7 142.7 17.9 9.9 13.6 74 82 A V E -fg 95 122C 0 20,-2.0 22,-2.8 -2,-0.3 2,-0.4 -0.978 14.8-141.2-128.2 118.9 20.7 12.4 14.6 75 83 A I E +fg 96 123C 1 47,-2.5 49,-2.6 -2,-0.4 22,-0.2 -0.675 37.2 147.2 -81.9 129.5 21.3 13.1 18.3 76 84 A T E -f 97 0C 1 20,-1.8 22,-1.6 -2,-0.4 4,-0.1 -0.984 48.1-101.7-154.1 149.6 22.2 16.8 19.0 77 85 A P E -f 98 0C 2 0, 0.0 22,-0.2 0, 0.0 3,-0.0 -0.362 18.9-141.4 -62.4 151.9 21.8 19.4 21.7 78 86 A S S S+ 0 0 0 20,-1.0 237,-2.5 1,-0.1 2,-2.0 0.700 91.8 83.5 -81.2 -25.7 19.1 22.0 21.1 79 87 A X S S+ 0 0 1 19,-0.4 2,-0.3 235,-0.2 -1,-0.1 -0.528 78.0 80.9 -81.4 82.2 21.6 24.5 22.7 80 88 A T S S- 0 0 2 -2,-2.0 235,-0.3 233,-0.2 2,-0.2 -0.923 94.7 -64.8-167.0 173.3 23.5 25.1 19.5 81 89 A W >> - 0 0 126 -2,-0.3 3,-1.1 1,-0.1 4,-0.5 -0.520 49.6-118.5 -72.8 148.5 23.2 27.3 16.4 82 90 A V H 3> S+ 0 0 14 1,-0.2 4,-3.0 -2,-0.2 5,-0.3 0.696 98.2 85.6 -63.5 -16.8 20.2 26.2 14.3 83 91 A S H 3> S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 87.7 51.1 -52.2 -44.9 22.4 25.3 11.3 84 92 A T H <> S+ 0 0 3 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.941 111.4 46.9 -61.9 -45.2 23.0 21.8 12.5 85 93 A L H X S+ 0 0 0 -4,-0.5 4,-2.7 1,-0.2 -2,-0.2 0.921 112.8 50.8 -60.9 -42.9 19.3 21.2 13.1 86 94 A N H X S+ 0 0 62 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.905 108.2 51.5 -61.9 -39.7 18.5 22.6 9.7 87 95 A X H X S+ 0 0 22 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.2 0.918 110.9 48.2 -65.4 -39.0 21.0 20.4 8.0 88 96 A I H <>S+ 0 0 0 -4,-1.8 5,-1.8 -5,-0.2 3,-0.4 0.971 115.2 44.9 -61.7 -52.0 19.6 17.3 9.6 89 97 A V H ><5S+ 0 0 24 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.874 110.5 53.6 -59.0 -44.9 16.0 18.2 8.6 90 98 A L H 3<5S+ 0 0 133 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.785 102.3 57.7 -68.8 -23.3 17.0 19.2 5.1 91 99 A L T 3<5S- 0 0 34 -4,-1.4 -21,-0.3 -3,-0.4 -1,-0.3 0.570 123.0-107.9 -77.9 -8.1 18.6 15.8 4.4 92 100 A G T < 5S+ 0 0 39 -3,-1.7 -21,-0.6 1,-0.3 -3,-0.2 0.436 78.6 129.5 95.1 2.4 15.2 14.3 5.4 93 101 A A < - 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