==== 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 15-FEB-11 3QQM . COMPND 2 MOLECULE: MLR3007 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MESORHIZOBIUM LOTI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1686 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1117 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 137 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 321 19.0 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 . 35 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 105 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 173 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 329 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 0.9 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 5 2 0 0 14 2 0 2 6 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 15 12 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 . 15 11 8 7 9 0 15 1 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 6 6 0 0 1 1 4 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 6 A P 0 0 57 0, 0.0 10,-0.1 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 -45.2 -18.7 50.6 -18.6 2 7 A L > + 0 0 22 1,-0.2 3,-0.6 2,-0.1 9,-0.1 0.838 360.0 49.8 -74.7 -34.7 -22.2 50.0 -20.1 3 8 A R T 3 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.555 113.4 45.8 -80.5 -10.2 -22.0 53.7 -21.3 4 9 A D T 3> + 0 0 48 1,-0.1 4,-1.3 5,-0.1 -1,-0.2 -0.324 66.1 127.6-128.6 50.0 -18.5 53.3 -22.9 5 10 A G T <4 S+ 0 0 0 109,-0.7 110,-0.2 -3,-0.6 -1,-0.1 0.464 70.3 59.8 -84.1 -1.5 -18.8 50.0 -24.8 6 11 A D T 4 S+ 0 0 61 108,-0.2 -1,-0.2 -3,-0.1 109,-0.1 0.836 114.5 28.2 -94.3 -42.0 -17.5 51.6 -28.1 7 12 A T T 4 S+ 0 0 108 2,-0.1 -2,-0.1 0, 0.0 3,-0.1 0.841 129.1 40.6 -85.9 -40.3 -14.0 52.8 -27.0 8 13 A A S < S- 0 0 57 -4,-1.3 2,-0.0 1,-0.2 0, 0.0 -0.188 108.8 -69.4 -93.4-171.8 -13.5 50.1 -24.3 9 14 A D - 0 0 76 1,-0.1 -1,-0.2 -2,-0.1 2,-0.2 -0.244 57.6-118.5 -72.1 169.9 -14.4 46.4 -24.4 10 15 A F - 0 0 15 -4,-0.1 63,-0.5 -3,-0.1 2,-0.3 -0.672 13.8-139.5-113.4 170.1 -18.2 45.5 -24.4 11 16 A E E -A 72 0A 18 -2,-0.2 103,-1.7 61,-0.1 2,-0.4 -0.857 22.2-114.9-122.4 155.0 -20.6 43.6 -22.2 12 17 A L E -AB 71 113A 3 59,-2.7 59,-2.6 -2,-0.3 2,-0.3 -0.766 36.2-161.4 -89.5 142.5 -23.4 41.3 -23.0 13 18 A I E -A 70 0A 17 99,-3.0 2,-0.4 -2,-0.4 57,-0.2 -0.944 18.6-176.3-130.9 145.5 -26.8 42.5 -22.0 14 19 A E E -A 69 0A 4 55,-2.3 55,-3.3 -2,-0.3 2,-0.5 -0.987 7.3-165.8-139.7 129.1 -30.3 41.1 -21.5 15 20 A T E +A 68 0A 18 -2,-0.4 2,-0.3 53,-0.2 191,-0.3 -0.975 21.8 168.3-120.8 117.7 -33.4 43.1 -20.7 16 21 A X E -A 67 0A 0 51,-2.5 51,-3.0 -2,-0.5 2,-0.6 -0.827 36.3-121.8-130.1 163.5 -36.4 41.2 -19.4 17 22 A R E -A 66 0A 39 8,-0.3 8,-3.2 -2,-0.3 2,-0.4 -0.924 25.0-156.4-107.4 116.5 -39.8 41.6 -17.8 18 23 A W E -AC 65 24A 35 47,-2.9 47,-1.8 -2,-0.6 6,-0.2 -0.778 11.9-167.7 -89.7 138.5 -40.1 39.8 -14.5 19 24 A Q E > - C 0 23A 53 4,-1.6 4,-1.5 -2,-0.4 44,-0.1 -0.975 31.0 -94.4-129.7 141.8 -43.7 38.9 -13.5 20 25 A P T 4 S- 0 0 73 0, 0.0 2,-1.5 0, 0.0 42,-0.1 -0.258 105.0 -2.5 -52.2 131.4 -45.0 37.7 -10.1 21 26 A G T 4 S+ 0 0 85 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.322 131.9 57.5 84.1 -53.6 -45.3 33.9 -10.0 22 27 A T T 4 S- 0 0 102 -2,-1.5 -1,-0.2 1,-0.2 0, 0.0 0.388 89.6-156.2 -91.9 0.8 -44.1 33.2 -13.6 23 28 A S E < +C 19 0A 41 -4,-1.5 -4,-1.6 -5,-0.1 -1,-0.2 -0.145 56.6 12.3 57.9-145.8 -40.7 35.0 -13.1 24 29 A F E > S-C 18 0A 14 -6,-0.2 3,-1.5 1,-0.1 -6,-0.3 -0.390 78.5-122.1 -70.0 128.7 -38.9 36.3 -16.3 25 30 A L T 3 S+ 0 0 47 -8,-3.2 -8,-0.3 1,-0.3 5,-0.1 -0.463 97.5 1.9 -67.6 132.6 -41.0 36.4 -19.4 26 31 A R T 3> S+ 0 0 29 -2,-0.1 4,-2.2 3,-0.1 -1,-0.3 0.800 86.5 161.6 58.2 33.6 -39.2 34.3 -22.1 27 32 A F H <> + 0 0 67 -3,-1.5 4,-2.3 1,-0.2 5,-0.3 0.887 67.1 49.4 -52.2 -49.9 -36.5 33.5 -19.6 28 33 A D H > S+ 0 0 127 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.898 109.0 52.2 -63.7 -38.8 -35.1 30.5 -21.4 29 34 A R H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.938 110.5 49.8 -61.2 -42.1 -34.9 32.3 -24.7 30 35 A H H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.901 114.0 43.2 -61.7 -46.7 -32.9 35.1 -22.9 31 36 A L H X S+ 0 0 31 -4,-2.3 4,-3.2 2,-0.2 5,-0.4 0.877 110.5 56.7 -68.5 -37.4 -30.5 32.7 -21.2 32 37 A A H X S+ 0 0 67 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.955 112.5 42.2 -57.5 -49.5 -30.1 30.7 -24.4 33 38 A R H X S+ 0 0 26 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.934 117.1 46.1 -61.8 -52.7 -29.0 33.9 -26.2 34 39 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.925 117.3 42.9 -57.7 -47.6 -26.8 35.2 -23.4 35 40 A Y H X S+ 0 0 67 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.890 114.5 51.1 -69.1 -36.6 -25.1 31.8 -22.9 36 41 A G H X S+ 0 0 28 -4,-2.4 4,-2.3 -5,-0.4 -2,-0.2 0.941 113.3 44.8 -64.8 -47.0 -24.7 31.2 -26.6 37 42 A S H X S+ 0 0 8 -4,-2.8 4,-2.7 2,-0.2 6,-0.3 0.913 110.5 53.3 -65.1 -41.8 -23.2 34.6 -27.2 38 43 A A H X>S+ 0 0 2 -4,-2.5 5,-2.7 1,-0.2 4,-1.0 0.923 111.3 48.2 -60.0 -40.6 -20.8 34.3 -24.2 39 44 A A H <5S+ 0 0 82 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.918 115.4 43.0 -65.2 -45.3 -19.7 31.0 -25.6 40 45 A E H <5S+ 0 0 133 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.803 118.3 44.1 -71.2 -31.4 -19.1 32.4 -29.2 41 46 A L H <5S- 0 0 47 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.479 113.6-108.7 -94.4 -5.5 -17.5 35.7 -28.1 42 47 A G T <5 + 0 0 54 -4,-1.0 2,-0.4 -3,-0.4 -3,-0.2 0.778 60.8 156.4 84.7 28.1 -15.1 34.2 -25.4 43 48 A F < - 0 0 12 -5,-2.7 -1,-0.2 -6,-0.3 2,-0.2 -0.728 46.4-122.9 -87.7 133.7 -16.9 35.5 -22.3 44 49 A A - 0 0 52 29,-2.3 31,-0.3 -2,-0.4 2,-0.3 -0.576 39.4-178.5 -68.6 136.6 -16.3 33.7 -19.0 45 50 A C - 0 0 40 -2,-0.2 31,-0.1 29,-0.1 28,-0.0 -0.860 19.3-172.7-148.2 111.1 -19.9 32.9 -17.9 46 51 A D >> - 0 0 69 -2,-0.3 4,-1.8 29,-0.3 3,-0.7 -0.883 9.0-162.0-106.9 103.8 -20.8 31.1 -14.7 47 52 A P H 3> S+ 0 0 69 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.793 90.7 59.0 -55.0 -31.6 -24.6 30.2 -14.7 48 53 A Q H 3> S+ 0 0 149 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.912 108.4 46.2 -65.2 -38.9 -24.6 29.7 -10.9 49 54 A R H <> S+ 0 0 24 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.848 109.6 53.3 -70.2 -37.4 -23.4 33.3 -10.5 50 55 A I H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.945 109.7 48.5 -62.7 -48.1 -26.0 34.6 -13.1 51 56 A A H X S+ 0 0 58 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.860 109.9 54.3 -59.6 -36.6 -28.8 32.9 -11.0 52 57 A E H X S+ 0 0 71 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.951 110.2 43.1 -64.2 -52.2 -27.3 34.5 -7.9 53 58 A V H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.903 116.4 48.1 -63.7 -39.7 -27.4 38.1 -9.1 54 59 A L H X S+ 0 0 6 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.939 111.9 49.5 -64.5 -46.2 -30.9 37.6 -10.7 55 60 A S H X S+ 0 0 78 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.925 113.8 45.9 -59.1 -47.1 -32.3 36.0 -7.5 56 61 A D H >< S+ 0 0 53 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.897 111.0 52.5 -63.2 -41.2 -30.9 38.9 -5.3 57 62 A A H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.852 116.4 39.5 -63.8 -33.9 -32.1 41.6 -7.7 58 63 A L H >< S+ 0 0 14 -4,-2.0 3,-2.1 -5,-0.2 -1,-0.2 0.384 80.8 132.2 -98.8 4.3 -35.7 40.2 -7.6 59 64 A D T << S+ 0 0 100 -3,-0.7 -3,-0.1 -4,-0.6 -4,-0.0 -0.371 83.8 3.0 -60.2 119.3 -35.8 39.3 -3.9 60 65 A G T 3 S+ 0 0 58 1,-0.3 -1,-0.3 -2,-0.2 2,-0.1 0.462 86.0 159.7 84.8 2.1 -39.1 40.7 -2.5 61 66 A A < - 0 0 26 -3,-2.1 -1,-0.3 1,-0.2 3,-0.1 -0.363 16.5-179.4 -60.4 130.4 -40.3 42.0 -5.8 62 67 A R + 0 0 164 1,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.637 62.2 27.3-106.5 -23.3 -44.1 42.4 -5.6 63 68 A T S S- 0 0 87 1,-0.1 -1,-0.1 -44,-0.1 -45,-0.1 -0.858 104.1 -56.1-134.2 171.1 -45.0 43.6 -9.1 64 69 A A - 0 0 24 -2,-0.3 20,-2.3 19,-0.1 2,-0.4 -0.125 56.8-162.2 -47.8 136.5 -43.6 43.4 -12.6 65 70 A X E -AD 18 83A 12 -47,-1.8 -47,-2.9 18,-0.3 2,-0.5 -0.972 22.3-131.6-129.6 141.6 -40.0 44.6 -12.9 66 71 A R E -AD 17 82A 69 16,-3.4 16,-2.2 -2,-0.4 2,-0.5 -0.819 35.3-163.9 -85.6 126.2 -37.8 45.7 -15.8 67 72 A T E -AD 16 81A 0 -51,-3.0 -51,-2.5 -2,-0.5 2,-0.6 -0.976 13.5-163.3-121.9 125.2 -34.6 43.7 -15.2 68 73 A R E -AD 15 80A 14 12,-3.1 12,-2.1 -2,-0.5 2,-0.4 -0.935 6.6-171.2-110.7 120.5 -31.3 44.4 -16.8 69 74 A L E -AD 14 79A 2 -55,-3.3 -55,-2.3 -2,-0.6 2,-0.4 -0.905 7.6-174.4-108.5 131.8 -28.6 41.6 -16.7 70 75 A A E -AD 13 78A 1 8,-2.6 8,-2.0 -2,-0.4 2,-0.4 -0.990 9.0-165.8-133.0 141.4 -25.1 42.4 -17.8 71 76 A L E -AD 12 77A 1 -59,-2.6 -59,-2.7 -2,-0.4 2,-0.2 -0.989 6.6-154.6-129.6 127.9 -22.0 40.3 -18.3 72 77 A A E > -A 11 0A 18 4,-3.1 3,-2.8 -2,-0.4 -61,-0.1 -0.667 34.5-108.1 -95.8 154.1 -18.4 41.4 -18.8 73 78 A R T 3 S+ 0 0 95 -63,-0.5 -29,-2.3 1,-0.3 -1,-0.1 0.763 119.2 59.4 -52.4 -30.8 -15.7 39.3 -20.6 74 79 A N T 3 S- 0 0 72 -31,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.456 124.0-102.8 -79.8 2.3 -14.0 38.5 -17.3 75 80 A G S < S+ 0 0 2 -3,-2.8 -29,-0.3 1,-0.3 -2,-0.1 0.305 73.6 145.7 94.4 -9.3 -17.3 36.9 -16.0 76 81 A D - 0 0 10 -5,-0.1 -4,-3.1 -31,-0.1 -1,-0.3 -0.384 29.0-170.7 -61.2 138.8 -18.3 39.9 -13.8 77 82 A A E -De 71 286A 2 208,-1.0 210,-1.6 -6,-0.2 2,-0.3 -0.984 18.0-171.2-139.5 150.6 -22.1 40.2 -13.7 78 83 A T E -De 70 287A 3 -8,-2.0 -8,-2.6 -2,-0.3 2,-0.4 -0.964 4.1-166.2-137.5 152.7 -24.8 42.6 -12.6 79 84 A A E -De 69 288A 0 208,-1.6 210,-2.4 -2,-0.3 2,-0.4 -0.990 7.2-174.0-140.3 129.3 -28.5 42.6 -12.4 80 85 A S E -De 68 289A 2 -12,-2.1 -12,-3.1 -2,-0.4 2,-0.4 -0.995 2.1-169.4-127.0 133.1 -30.8 45.6 -11.8 81 86 A A E +D 67 0A 0 208,-2.6 -14,-0.2 -2,-0.4 -2,-0.0 -0.973 12.2 162.0-125.6 134.8 -34.5 45.6 -11.3 82 87 A Q E -D 66 0A 4 -16,-2.2 -16,-3.4 -2,-0.4 -2,-0.0 -0.974 51.8 -72.4-143.2 154.6 -36.9 48.5 -11.2 83 88 A P E -D 65 0A 53 0, 0.0 -18,-0.3 0, 0.0 2,-0.3 -0.169 48.4-122.4 -53.8 132.1 -40.7 48.6 -11.6 84 89 A Y - 0 0 32 -20,-2.3 -20,-0.1 -66,-0.2 -67,-0.0 -0.580 19.9-156.4 -74.3 134.0 -42.0 47.9 -15.1 85 90 A E - 0 0 122 -2,-0.3 -1,-0.1 -20,-0.0 -20,-0.0 -0.830 14.6-150.8-113.0 92.1 -44.1 50.7 -16.5 86 91 A P - 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k 0 134B 67 37,-1.2 39,-2.9 -2,-0.3 2,-0.5 -0.943 29.4-111.0-138.1 157.9 -39.0 57.8 -38.1 97 102 A L E - k 0 135B 43 118,-0.4 39,-0.2 -2,-0.3 2,-0.2 -0.790 26.6-141.5 -95.7 125.9 -36.1 56.7 -40.3 98 103 A A - 0 0 1 37,-3.0 39,-0.3 -2,-0.5 24,-0.1 -0.514 10.5-142.1 -80.4 152.5 -32.6 57.5 -39.2 99 104 A R S S+ 0 0 195 -2,-0.2 2,-0.2 23,-0.1 -1,-0.1 0.695 79.0 103.8 -82.1 -21.8 -29.9 58.5 -41.7 100 105 A T - 0 0 15 18,-0.1 37,-0.5 21,-0.1 2,-0.3 -0.445 65.1-155.3 -60.7 121.0 -27.6 56.4 -39.6 101 106 A R - 0 0 113 -2,-0.2 2,-0.3 35,-0.1 37,-0.2 -0.788 8.0-136.3-107.7 148.5 -27.1 53.1 -41.5 102 107 A L B -m 138 0C 4 35,-2.2 2,-0.6 -2,-0.3 37,-0.6 -0.661 18.3-126.4 -95.8 153.5 -26.1 49.6 -40.3 103 108 A D > - 0 0 84 -2,-0.3 3,-2.4 35,-0.2 6,-0.2 -0.908 9.1-150.4-103.4 115.2 -23.6 47.5 -42.1 104 109 A S T 3 S+ 0 0 14 -2,-0.6 65,-0.1 1,-0.3 -1,-0.1 0.680 96.2 58.5 -59.3 -19.9 -25.0 44.0 -42.9 105 110 A Q T 3 S+ 0 0 142 62,-0.1 2,-1.0 63,-0.1 -1,-0.3 0.490 74.3 109.4 -88.0 -6.0 -21.5 42.5 -42.6 106 111 A N X - 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