==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-12 4HFQ . COMPND 2 MOLECULE: MUTT/NUDIX FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR K.C.DUONG-LY,L.M.AMZEL,S.B.GABELLI . 406 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 16.0 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 . 0 0.0 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 . 22 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 0 0 2 0 0 2 0 2 0 0 0 0 0 1 0 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 0 0 0 2 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 . 0 4 2 0 0 1 1 0 0 2 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 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 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 M 0 0 41 0, 0.0 2,-0.2 0, 0.0 246,-0.0 0.000 360.0 360.0 360.0 136.6 22.9 47.7 26.6 2 2 A K > - 0 0 147 1,-0.1 4,-2.5 252,-0.1 5,-0.2 -0.490 360.0-119.8 -77.1 149.5 20.2 47.3 29.4 3 3 A T H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.921 114.1 52.9 -53.0 -46.9 21.2 45.7 32.7 4 4 A S H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 109.6 48.3 -61.5 -39.4 18.7 42.9 32.2 5 5 A D H > S+ 0 0 48 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.917 108.1 54.2 -68.8 -41.9 20.1 42.1 28.7 6 6 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.947 110.6 47.2 -54.2 -47.6 23.7 42.1 30.1 7 7 A V H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.924 112.4 48.4 -63.3 -43.5 22.6 39.5 32.7 8 8 A K H X S+ 0 0 85 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.897 112.6 49.0 -63.3 -40.8 20.8 37.3 30.2 9 9 A Y H X S+ 0 0 26 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.940 113.9 46.0 -62.2 -47.0 23.8 37.4 27.8 10 10 A L H X S+ 0 0 2 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.932 112.0 50.5 -60.1 -47.9 26.2 36.5 30.6 11 11 A Q H X S+ 0 0 15 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.922 113.5 46.3 -57.6 -44.3 24.0 33.7 31.9 12 12 A R H X S+ 0 0 17 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.917 111.0 50.4 -67.8 -43.7 23.7 32.3 28.3 13 13 A M H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.895 108.5 52.9 -66.5 -35.0 27.4 32.5 27.5 14 14 A I H X S+ 0 0 25 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.950 110.6 48.7 -59.9 -46.1 28.3 30.7 30.8 15 15 A A H X S+ 0 0 5 -4,-1.9 4,-2.2 -5,-0.2 51,-0.3 0.914 112.8 45.9 -62.9 -43.0 25.9 27.9 29.9 16 16 A I H X S+ 0 0 4 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.933 113.5 49.3 -64.9 -45.3 27.2 27.5 26.3 17 17 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.894 111.8 48.7 -62.6 -40.6 30.8 27.6 27.5 18 18 A D H X S+ 0 0 20 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.892 109.4 52.5 -66.8 -38.2 30.1 25.0 30.2 19 19 A T H X S+ 0 0 37 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.919 108.5 51.9 -63.2 -41.4 28.3 22.8 27.7 20 20 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.926 108.5 50.5 -59.6 -44.6 31.5 23.0 25.5 21 21 A L H < S+ 0 0 36 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.892 114.4 44.1 -62.6 -39.6 33.7 21.9 28.4 22 22 A T H < S+ 0 0 50 -4,-2.1 -1,-0.2 42,-0.2 -2,-0.2 0.895 124.7 30.7 -70.4 -37.7 31.5 18.9 29.1 23 23 A F H < S+ 0 0 92 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.671 89.1 101.0-104.0 -20.2 31.0 17.8 25.5 24 24 A T < - 0 0 16 -4,-2.7 -4,-0.0 -5,-0.2 0, 0.0 -0.374 44.2-167.4 -70.5 152.6 34.1 18.7 23.5 25 25 A K + 0 0 196 -2,-0.1 -1,-0.1 5,-0.0 -4,-0.0 0.307 61.1 89.1-117.5 5.1 36.6 16.0 22.7 26 26 A D > - 0 0 58 1,-0.1 4,-2.7 204,-0.0 5,-0.2 -0.900 67.0-144.2-112.2 131.1 39.4 18.2 21.4 27 27 A P H > S+ 0 0 95 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.814 101.8 51.1 -64.8 -29.1 42.1 19.7 23.6 28 28 A F H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.887 110.9 48.2 -76.4 -35.1 42.3 23.0 21.6 29 29 A D H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.928 109.7 54.0 -65.0 -41.8 38.5 23.4 21.8 30 30 A R H X S+ 0 0 119 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.940 108.8 48.8 -54.8 -47.9 38.7 22.7 25.6 31 31 A E H X S+ 0 0 99 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.884 108.2 54.4 -61.3 -39.8 41.3 25.5 25.9 32 32 A R H X S+ 0 0 28 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.935 110.5 45.3 -59.0 -47.8 39.1 27.9 23.9 33 33 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.891 112.6 51.5 -64.3 -38.2 36.1 27.3 26.2 34 34 A E H X S+ 0 0 75 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.914 110.7 48.1 -63.7 -42.1 38.4 27.6 29.3 35 35 A D H X S+ 0 0 70 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.888 111.0 51.2 -65.8 -37.9 39.7 30.9 27.9 36 36 A L H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.929 109.4 50.2 -62.2 -43.3 36.2 32.1 27.3 37 37 A R H X S+ 0 0 35 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.860 108.4 52.9 -66.2 -33.2 35.2 31.2 30.9 38 38 A S H X S+ 0 0 60 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.919 110.9 47.1 -66.3 -41.0 38.2 33.1 32.2 39 39 A L H X S+ 0 0 16 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.882 109.1 53.2 -67.2 -38.9 37.1 36.2 30.2 40 40 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.911 110.1 49.6 -60.5 -39.6 33.5 35.9 31.4 41 41 A S H X S+ 0 0 32 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.883 112.4 46.2 -65.6 -41.5 34.9 35.8 34.9 42 42 A E H X S+ 0 0 87 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.910 113.7 49.2 -67.1 -42.2 37.0 39.0 34.3 43 43 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.918 109.9 50.4 -66.8 -43.1 34.1 40.7 32.7 44 44 A L H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 6,-0.2 0.903 108.0 53.9 -60.4 -43.0 31.7 39.9 35.5 45 45 A N H < S+ 0 0 91 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.935 115.6 39.3 -54.9 -46.7 34.2 41.2 38.0 46 46 A Q H < S+ 0 0 94 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.793 115.1 51.6 -76.0 -29.2 34.4 44.5 36.2 47 47 A A H < S+ 0 0 0 -4,-2.4 2,-0.3 -5,-0.2 212,-0.3 0.604 109.2 50.7 -86.6 -11.7 30.7 44.8 35.3 48 48 A S < - 0 0 7 -4,-1.2 209,-0.2 -3,-0.4 208,-0.1 -0.902 67.5-136.1-131.7 154.2 29.3 44.3 38.8 49 49 A D + 0 0 95 207,-2.1 208,-0.1 -2,-0.3 -4,-0.1 0.256 59.7 136.0 -86.6 9.8 29.7 45.5 42.4 50 50 A L - 0 0 11 -6,-0.2 -2,-0.1 206,-0.2 2,-0.0 -0.287 56.2-120.5 -58.4 140.5 29.6 41.9 43.8 51 51 A D > - 0 0 83 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.295 34.3 -94.3 -74.1 169.6 32.2 41.2 46.4 52 52 A S H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.876 125.9 50.3 -56.2 -42.0 34.8 38.4 45.9 53 53 A E H > S+ 0 0 136 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.924 113.2 46.2 -61.5 -44.1 32.7 35.8 47.7 54 54 A E H > S+ 0 0 42 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.884 111.1 51.3 -66.4 -42.2 29.6 36.7 45.7 55 55 A V H X S+ 0 0 12 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.937 110.2 49.5 -60.3 -47.2 31.5 36.7 42.3 56 56 A A H X S+ 0 0 58 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.843 107.2 56.6 -57.9 -36.8 32.9 33.2 43.2 57 57 A E H < S+ 0 0 59 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.875 108.9 45.7 -64.4 -39.3 29.3 32.1 44.0 58 58 A V H < S+ 0 0 5 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.908 118.4 42.0 -66.9 -42.5 28.1 33.1 40.5 59 59 A L H < S+ 0 0 25 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.663 83.6 112.3 -84.9 -16.6 31.0 31.5 38.7 60 60 A K S < S- 0 0 132 -4,-1.8 2,-0.3 -5,-0.2 208,-0.0 -0.384 77.7-116.7 -56.4 123.4 31.1 28.3 40.8 61 61 A P - 0 0 83 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.513 29.0-170.8 -68.2 124.9 30.1 25.5 38.4 62 62 A T - 0 0 34 -2,-0.3 2,-0.3 1,-0.3 208,-0.1 0.798 65.3 -6.0 -83.5 -31.9 26.9 24.0 39.7 63 63 A S - 0 0 46 207,-0.1 -1,-0.3 206,-0.1 3,-0.0 -0.978 58.9-117.5-158.4 156.3 26.8 21.0 37.4 64 64 A A S S+ 0 0 52 -2,-0.3 2,-0.6 1,-0.1 -42,-0.2 0.672 107.4 61.2 -70.8 -18.9 28.5 19.5 34.3 65 65 A Y S S- 0 0 61 -43,-0.1 2,-0.9 2,-0.0 -1,-0.1 -0.952 81.3-145.2-117.9 114.8 25.1 20.0 32.5 66 66 A A + 0 0 26 -2,-0.6 240,-0.5 -51,-0.3 -47,-0.0 -0.681 42.6 137.0 -83.5 101.6 23.9 23.6 32.1 67 67 A T - 0 0 10 -2,-0.9 238,-0.2 238,-0.2 75,-0.1 -0.932 63.0 -78.2-132.5 164.2 20.1 23.6 32.4 68 68 A P - 0 0 3 0, 0.0 206,-0.4 0, 0.0 75,-0.3 -0.360 56.8-120.3 -55.8 144.8 17.6 25.7 34.1 69 69 A L E -a 143 0A 16 73,-2.8 75,-2.9 204,-0.1 2,-0.4 -0.536 20.7-105.8 -92.0 156.6 17.4 24.8 37.8 70 70 A M E +a 144 0A 3 202,-0.3 30,-1.7 30,-0.2 2,-0.4 -0.685 34.1 174.2 -82.4 130.9 14.4 23.5 39.8 71 71 A D E -aB 145 99A 12 73,-2.2 75,-2.9 -2,-0.4 2,-0.4 -0.992 12.5-161.5-127.3 137.6 12.6 25.7 42.3 72 72 A V E -aB 146 98A 0 26,-2.9 26,-2.3 -2,-0.4 2,-0.3 -0.949 8.3-177.5-120.1 143.2 9.4 24.5 44.0 73 73 A R E -aB 147 97A 17 73,-2.1 75,-2.9 -2,-0.4 2,-0.5 -0.977 18.1-134.9-139.2 150.8 6.7 26.5 45.7 74 74 A A E -a 148 0A 0 22,-2.5 2,-0.7 -2,-0.3 75,-0.2 -0.926 5.3-159.3-111.5 130.9 3.5 25.7 47.6 75 75 A W E +a 149 0A 1 73,-3.1 75,-2.6 -2,-0.5 2,-0.5 -0.936 20.4 174.7-108.0 104.9 0.2 27.5 47.1 76 76 A I - 0 0 1 -2,-0.7 7,-2.4 7,-0.3 2,-0.5 -0.973 8.2-170.1-119.4 116.0 -1.8 26.9 50.3 77 77 A V E +E 82 0B 25 -2,-0.5 2,-0.4 73,-0.5 5,-0.2 -0.943 10.2 169.4-113.3 127.8 -5.2 28.6 50.6 78 78 A E E > S-E 81 0B 87 3,-2.3 3,-1.7 -2,-0.5 -2,-0.0 -0.996 75.6 -5.7-135.4 130.0 -7.2 28.7 53.8 79 79 A D T 3 S- 0 0 141 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.891 129.1 -60.7 53.3 40.4 -10.3 30.9 54.4 80 80 A E T 3 S+ 0 0 109 1,-0.2 91,-0.6 90,-0.1 2,-0.3 0.664 114.9 115.4 64.1 19.5 -9.4 32.5 51.0 81 81 A K E < -EF 78 170B 86 -3,-1.7 -3,-2.3 89,-0.2 2,-0.4 -0.877 63.1-122.6-119.6 155.7 -6.0 33.7 52.3 82 82 A I E -EF 77 169B 0 87,-3.1 87,-2.2 -2,-0.3 2,-0.4 -0.789 19.0-122.6-106.0 134.1 -2.6 32.6 51.1 83 83 A C E + F 0 168B 0 -7,-2.4 2,-0.3 -2,-0.4 -7,-0.3 -0.598 35.8 174.3 -74.8 124.3 0.1 31.0 53.2 84 84 A L E - F 0 167B 0 83,-2.9 83,-2.3 -2,-0.4 2,-0.3 -0.965 14.1-154.4-127.7 148.4 3.4 33.0 53.2 85 85 A V E -GF 94 166B 9 9,-2.9 9,-2.2 -2,-0.3 2,-0.5 -0.906 5.8-146.8-119.9 151.8 6.6 32.5 55.2 86 86 A R E -GF 93 165B 72 79,-2.6 78,-2.5 -2,-0.3 79,-1.5 -0.981 21.8-132.1-118.8 123.2 9.3 34.9 56.3 87 87 A G E > - F 0 163B 8 5,-0.6 3,-1.8 -2,-0.5 76,-0.3 -0.352 31.3 -92.1 -70.3 151.6 12.9 33.6 56.5 88 88 A Q T 3 S+ 0 0 74 74,-2.2 -1,-0.1 1,-0.3 3,-0.1 -0.373 115.3 19.7 -56.0 137.8 15.2 34.2 59.5 89 89 A G T 3 S+ 0 0 85 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.554 109.3 103.5 75.0 9.5 17.3 37.3 58.9 90 90 A E < - 0 0 67 -3,-1.8 -1,-0.2 1,-0.1 74,-0.1 -0.903 56.9-158.3-127.5 152.2 14.8 38.5 56.2 91 91 A D S S+ 0 0 118 -2,-0.3 2,-0.2 -3,-0.1 85,-0.2 0.480 70.8 73.2-102.6 -6.2 12.1 41.2 56.1 92 92 A S - 0 0 17 -5,-0.1 -5,-0.6 83,-0.1 2,-0.3 -0.661 68.1-125.9-120.4 169.9 10.1 39.9 53.2 93 93 A W E +Gh 86 177B 20 83,-2.2 85,-3.0 -2,-0.2 2,-0.3 -0.779 22.9 168.8-120.7 150.8 7.7 37.0 52.5 94 94 A A E -G 85 0B 4 -9,-2.2 -9,-2.9 -2,-0.3 3,-0.1 -0.960 43.2 -84.4-149.1 168.0 7.4 34.2 50.0 95 95 A L - 0 0 0 -2,-0.3 -11,-0.2 -11,-0.2 -20,-0.1 -0.489 62.8 -92.1 -66.5 144.9 5.4 31.0 49.3 96 96 A P S S+ 0 0 0 0, 0.0 -22,-2.5 0, 0.0 2,-0.3 -0.275 85.0 75.7 -56.0 146.9 6.9 28.0 51.1 97 97 A G E -B 73 0A 4 -24,-0.2 2,-0.3 16,-0.2 -24,-0.2 -0.984 44.8-168.9 148.0-154.3 9.5 26.1 49.0 98 98 A G E -B 72 0A 15 -26,-2.3 -26,-2.9 -2,-0.3 15,-0.1 -0.964 50.5 -21.6 155.0-171.2 13.1 26.4 47.7 99 99 A F E -B 71 0A 62 -2,-0.3 2,-0.5 -28,-0.2 -28,-0.3 -0.317 68.7-105.8 -67.1 150.0 15.4 24.7 45.3 100 100 A G - 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