==== 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 STRUCTURAL GENOMICS/UNKNOWN FUNCTION 13-SEP-05 2B06 . COMPND 2 MOLECULE: MUTT/NUDIX FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR R.ZHANG,M.ZHOU,J.ABDULLAH,F.COLLART,A.JOACHIMIAK,MIDWEST CEN . 150 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 24.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 17 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 0 0 0 0 1 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 . 2 2 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 226 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -64.3 4.4 24.0 2.2 2 2 A S > - 0 0 48 1,-0.1 3,-1.8 76,-0.1 4,-0.4 -0.269 360.0-120.7 -78.6 156.5 7.4 26.0 3.5 3 3 A R G > S+ 0 0 216 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.744 111.3 64.5 -63.2 -24.6 7.3 29.3 5.4 4 4 A S G 3 S+ 0 0 23 1,-0.2 76,-2.2 76,-0.1 74,-1.7 0.442 97.4 57.0 -80.2 -1.5 9.4 30.9 2.7 5 5 A Q G < S+ 0 0 92 -3,-1.8 -1,-0.2 74,-0.2 -2,-0.2 0.512 89.6 100.7 -98.5 -11.9 6.6 30.4 0.2 6 6 A L < - 0 0 89 -3,-0.8 75,-1.9 -4,-0.4 2,-0.6 -0.374 67.0-136.2 -81.2 151.3 4.0 32.3 2.3 7 7 A T E -a 81 0A 89 73,-0.3 2,-0.5 -2,-0.1 75,-0.2 -0.944 24.5-159.1-101.9 116.8 2.8 35.9 1.8 8 8 A I E -a 82 0A 38 73,-2.6 75,-2.6 -2,-0.6 2,-0.6 -0.863 2.0-157.7-104.8 125.6 2.7 37.5 5.2 9 9 A L E +a 83 0A 65 -2,-0.5 32,-2.6 32,-0.2 2,-0.3 -0.911 25.9 150.4-108.5 118.0 0.4 40.6 5.7 10 10 A T E -aB 84 40A 8 73,-2.0 75,-3.0 -2,-0.6 2,-0.3 -0.857 24.9-149.5-136.7 170.1 1.2 42.9 8.6 11 11 A N E -a 85 0A 3 28,-2.3 2,-0.3 -2,-0.3 75,-0.2 -0.942 5.1-167.5-137.3 161.5 0.9 46.6 9.5 12 12 A I E -a 86 0A 12 73,-2.1 75,-2.3 -2,-0.3 2,-0.4 -0.965 9.7-153.3-138.7 159.6 2.6 49.3 11.5 13 13 A C E -a 87 0A 0 24,-2.2 2,-0.8 -2,-0.3 75,-0.2 -0.988 13.3-148.2-137.5 131.2 1.6 52.7 12.6 14 14 A L E -a 88 0A 0 73,-2.7 75,-2.6 -2,-0.4 2,-0.7 -0.875 24.5-163.8 -87.3 108.7 3.5 55.9 13.5 15 15 A I E -a 89 0A 0 -2,-0.8 9,-1.8 9,-0.4 2,-0.5 -0.900 8.5-172.4-101.2 111.3 1.2 57.4 16.1 16 16 A E E -F 23 0B 16 73,-2.5 2,-0.9 -2,-0.7 7,-0.2 -0.941 19.8-150.3-115.2 123.5 2.1 61.0 16.6 17 17 A D E >>> -F 22 0B 24 5,-2.9 4,-2.3 -2,-0.5 5,-0.9 -0.822 9.4-165.4 -88.8 105.4 0.6 63.3 19.2 18 18 A L T 345S+ 0 0 101 -2,-0.9 -1,-0.2 72,-0.4 73,-0.0 0.729 84.6 58.4 -67.3 -21.3 0.8 66.7 17.6 19 19 A E T 345S+ 0 0 185 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.833 122.4 22.0 -73.4 -34.5 0.2 68.4 21.0 20 20 A T T <45S- 0 0 63 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.1 0.542 96.3-128.1-110.9 -13.3 3.2 66.9 22.6 21 21 A Q T <5 + 0 0 136 -4,-2.3 88,-2.7 1,-0.3 89,-0.4 0.848 65.0 133.8 58.8 37.7 5.4 66.0 19.6 22 22 A R E < -FG 17 108B 94 -5,-0.9 -5,-2.9 86,-0.3 2,-0.4 -0.837 43.1-152.9-114.0 156.4 5.8 62.5 20.9 23 23 A V E -FG 16 107B 0 84,-2.6 84,-2.7 -2,-0.3 2,-0.5 -0.950 25.7-108.5-128.2 143.8 5.4 59.2 19.0 24 24 A V E - G 0 106B 0 -9,-1.8 -9,-0.4 -2,-0.4 2,-0.4 -0.632 38.4-173.3 -76.4 121.7 4.3 55.8 20.4 25 25 A M E - G 0 105B 0 80,-2.8 80,-2.0 -2,-0.5 2,-0.4 -0.906 9.3-153.7-113.5 146.4 7.3 53.4 20.5 26 26 A Q E -HG 35 104B 9 9,-3.0 9,-2.5 -2,-0.4 2,-0.7 -0.967 10.7-137.7-120.6 133.8 7.1 49.7 21.3 27 27 A Y E -HG 34 103B 97 76,-2.6 76,-0.7 -2,-0.4 2,-0.6 -0.822 18.4-173.8 -96.0 117.3 10.0 47.7 22.7 28 28 A R E H 33 0B 90 5,-2.0 5,-2.4 -2,-0.7 74,-0.1 -0.940 360.0 360.0-112.9 110.4 10.3 44.2 21.2 29 29 A A 0 0 107 -2,-0.6 3,-0.2 3,-0.2 -1,-0.1 0.592 360.0 360.0 -38.8 360.0 13.0 42.1 22.9 30 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 31 35 A W 0 0 201 0, 0.0 -3,-0.2 0, 0.0 87,-0.1 0.000 360.0 360.0 360.0 149.5 13.9 42.7 14.6 32 36 A S + 0 0 65 -3,-0.2 87,-0.3 86,-0.1 2,-0.2 -0.154 360.0 42.5 -65.4 145.0 14.9 43.6 18.2 33 37 A G E S-H 28 0B 4 -5,-2.4 -5,-2.0 85,-0.1 84,-0.3 -0.695 98.5 -22.5 123.3-173.5 14.7 47.1 19.7 34 38 A Y E S+Hi 27 117B 61 82,-3.1 84,-2.8 -7,-0.2 2,-0.3 -0.542 72.3 150.6 -68.6 134.1 12.3 50.0 19.7 35 39 A A E -H 26 0B 2 -9,-2.5 -9,-3.0 -2,-0.3 -2,-0.0 -0.868 47.8 -73.4-149.9-178.4 9.9 49.9 16.7 36 40 A F - 0 0 1 -2,-0.3 -22,-0.1 -11,-0.2 -11,-0.1 -0.635 48.6-115.5 -84.4 145.6 6.4 51.0 15.7 37 41 A P + 0 0 0 0, 0.0 -24,-2.2 0, 0.0 2,-0.3 -0.302 59.3 108.0 -73.0 163.5 3.4 49.0 17.0 38 42 A G - 0 0 12 -26,-0.2 2,-0.3 16,-0.2 -26,-0.2 -0.905 38.1-156.6 151.7-178.0 1.1 47.1 14.7 39 43 A G - 0 0 10 -2,-0.3 -28,-2.3 -28,-0.0 2,-0.3 -0.865 31.1 -37.8-166.5-160.0 0.4 43.5 13.8 40 44 A H B -B 10 0A 104 -2,-0.3 2,-0.4 -30,-0.2 -30,-0.3 -0.583 51.0-118.2 -88.9 142.7 -0.9 40.8 11.5 41 45 A V - 0 0 22 -32,-2.6 -32,-0.2 -2,-0.3 2,-0.1 -0.642 28.1-133.0 -80.5 125.9 -3.9 41.2 9.2 42 46 A E > - 0 0 91 -2,-0.4 3,-1.0 4,-0.2 8,-0.1 -0.441 24.9-106.6 -76.5 154.6 -6.7 38.8 10.0 43 47 A N T 3 S+ 0 0 177 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.745 112.8 33.5 -54.8 -32.9 -8.3 36.8 7.1 44 48 A D T 3 S+ 0 0 143 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.540 99.0 94.2-104.2 -6.2 -11.6 38.8 6.9 45 49 A E S < S- 0 0 27 -3,-1.0 2,-0.0 1,-0.1 -4,-0.0 -0.553 71.9-114.5 -98.3 152.4 -10.6 42.3 7.9 46 50 A A > - 0 0 46 -2,-0.2 4,-2.4 1,-0.1 -4,-0.2 -0.324 32.0-111.3 -69.0 162.2 -9.7 45.3 5.8 47 51 A F H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.934 120.9 46.8 -61.9 -42.6 -6.1 46.7 6.0 48 52 A A H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.908 111.2 51.8 -66.2 -40.7 -7.4 49.8 7.8 49 53 A E H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 109.1 52.4 -59.1 -42.0 -9.5 47.7 10.2 50 54 A S H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.906 109.1 46.4 -63.5 -44.1 -6.5 45.7 11.0 51 55 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.922 113.2 49.5 -69.7 -39.4 -4.2 48.6 11.9 52 56 A I H X S+ 0 0 55 -4,-2.2 4,-2.3 -5,-0.2 11,-0.2 0.950 115.2 44.7 -60.5 -47.0 -6.9 50.2 14.1 53 57 A R H X S+ 0 0 48 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.938 114.7 46.6 -65.0 -48.2 -7.5 46.9 15.9 54 58 A E H X S+ 0 0 16 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.916 112.4 50.4 -61.1 -43.4 -3.8 46.0 16.4 55 59 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 6,-0.6 0.919 110.3 50.5 -63.0 -41.0 -3.0 49.5 17.6 56 60 A Y H X S+ 0 0 134 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.940 113.7 45.0 -60.6 -47.0 -5.9 49.3 20.1 57 61 A E H < S+ 0 0 91 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 120.7 38.8 -62.4 -41.1 -4.7 45.9 21.4 58 62 A E H < S+ 0 0 6 -4,-2.8 41,-0.3 -5,-0.2 -1,-0.2 0.708 134.0 17.3 -86.3 -21.1 -1.0 46.9 21.6 59 63 A T H < S- 0 0 0 -4,-2.3 38,-2.3 2,-0.2 -3,-0.2 0.512 88.3-123.2-128.7 -15.0 -1.4 50.5 22.9 60 64 A G S < S+ 0 0 19 -4,-2.2 35,-0.5 -5,-0.5 2,-0.3 0.324 73.8 122.2 80.0 -8.3 -4.9 51.1 24.3 61 65 A L E -J 94 0C 2 -6,-0.6 2,-0.7 33,-0.2 -1,-0.3 -0.680 57.0-144.5 -90.7 141.0 -5.3 53.9 21.8 62 66 A T E -J 93 0C 52 31,-2.7 31,-1.8 -2,-0.3 2,-0.3 -0.924 20.6-156.7-100.5 112.0 -8.1 54.1 19.3 63 67 A I E -J 92 0C 3 -2,-0.7 2,-0.4 -11,-0.2 29,-0.3 -0.650 1.9-148.7 -87.5 145.7 -6.8 55.8 16.1 64 68 A Q E -J 91 0C 73 27,-2.8 27,-0.5 -2,-0.3 26,-0.3 -0.909 68.5 -6.0-113.3 140.3 -9.1 57.5 13.6 65 69 A N S S- 0 0 99 -2,-0.4 -1,-0.2 1,-0.1 25,-0.2 0.858 76.8-157.5 52.5 49.2 -8.6 57.8 9.9 66 70 A P - 0 0 16 0, 0.0 2,-0.4 0, 0.0 23,-0.2 -0.364 10.9-133.7 -62.1 141.7 -5.1 56.2 9.7 67 71 A Q E -C 88 0A 102 21,-2.9 21,-2.0 -19,-0.0 2,-0.4 -0.843 8.1-124.3-104.7 129.4 -3.3 57.3 6.6 68 72 A L E +C 87 0A 111 -2,-0.4 19,-0.2 19,-0.2 3,-0.1 -0.576 36.2 166.2 -67.0 124.8 -1.4 54.9 4.2 69 73 A V E - 0 0 31 17,-3.0 2,-0.3 1,-0.4 18,-0.2 0.441 54.8 -44.1-122.8 -6.3 2.2 56.2 4.0 70 74 A G E -C 86 0A 2 16,-1.2 16,-2.9 2,-0.0 2,-0.4 -0.945 47.2-101.2 162.7 179.3 4.0 53.3 2.4 71 75 A I E -Cd 85 135A 64 63,-2.1 65,-2.5 -2,-0.3 2,-0.5 -0.997 18.1-161.8-133.2 126.6 4.8 49.7 2.2 72 76 A K E +Cd 84 136A 34 12,-2.6 12,-2.9 -2,-0.4 2,-0.3 -0.924 31.6 150.9-102.9 131.1 7.9 47.9 3.6 73 77 A N E -Cd 83 137A 6 63,-2.6 65,-1.8 -2,-0.5 10,-0.2 -0.997 25.5-174.7-157.5 160.9 8.4 44.5 2.0 74 78 A W E -C 82 0A 40 8,-1.8 8,-2.9 -2,-0.3 2,-0.1 -0.977 31.6-106.4-157.1 147.3 10.9 41.8 1.0 75 79 A P E -C 81 0A 35 0, 0.0 6,-0.3 0, 0.0 2,-0.2 -0.415 30.3-137.0 -70.2 150.6 10.9 38.5 -0.9 76 80 A L > - 0 0 41 4,-2.5 3,-1.1 -72,-0.2 -72,-0.1 -0.628 33.2 -93.7-101.1 169.1 11.2 35.3 1.0 77 81 A D T 3 S+ 0 0 140 1,-0.3 -72,-0.1 -2,-0.2 -73,-0.1 0.685 115.4 34.6 -60.3 -27.1 13.5 32.4 -0.2 78 82 A T T 3 S- 0 0 75 -74,-1.7 -1,-0.3 -72,-0.1 3,-0.1 -0.293 132.3 -64.1-131.9 47.3 10.9 30.4 -2.1 79 83 A G S < S+ 0 0 76 -3,-1.1 -74,-0.2 1,-0.3 -2,-0.1 0.349 98.1 121.4 95.3 -6.6 8.4 32.8 -3.8 80 84 A G - 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