==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-APR-04 1SZ3 . COMPND 2 MOLECULE: MUTT/NUDIX FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR W.RANATUNGA,E.E.HILL,J.L.MOOSTER,E.L.HOLBROOK,U.SCHULZE- . 310 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 21.3 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 18.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 PARALLEL BRIDGES PER LADDER . 2 4 2 0 1 1 0 0 0 0 2 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 29 0, 0.0 201,-0.1 0, 0.0 292,-0.1 0.000 360.0 360.0 360.0-133.3 26.3 -16.0 37.7 2 2 A E - 0 0 64 2,-0.1 203,-0.0 290,-0.1 187,-0.0 0.039 360.0 -61.4-103.7-155.2 24.2 -18.9 38.9 3 3 A H S S+ 0 0 57 2,-0.1 2,-0.5 196,-0.1 3,-0.0 0.604 94.3 103.1 -83.7 -7.0 25.1 -22.2 40.7 4 4 A D S S- 0 0 83 1,-0.1 -2,-0.1 238,-0.0 0, 0.0 -0.614 82.5-112.5 -69.1 120.1 27.5 -23.9 38.2 5 5 A E + 0 0 163 -2,-0.5 2,-0.3 -4,-0.0 -1,-0.1 -0.235 44.8 165.6 -62.0 141.8 30.9 -23.2 39.8 6 6 A R - 0 0 46 236,-0.2 236,-0.3 237,-0.1 2,-0.2 -0.973 29.5-121.4-150.2 154.3 33.4 -21.0 38.1 7 7 A T E -A 241 0A 93 234,-2.9 234,-2.4 -2,-0.3 2,-0.3 -0.571 33.1-100.5 -96.0 164.5 36.6 -19.3 39.2 8 8 A H E -A 240 0A 95 232,-0.2 232,-0.2 -2,-0.2 -1,-0.1 -0.658 23.9-157.1 -86.1 137.9 37.4 -15.6 39.2 9 9 A V - 0 0 15 230,-2.3 230,-0.4 -2,-0.3 -1,-0.0 -0.888 21.8-137.6-115.0 97.0 39.4 -14.1 36.4 10 10 A P - 0 0 77 0, 0.0 2,-0.6 0, 0.0 80,-0.2 -0.280 11.1-157.1 -57.8 133.2 41.0 -10.9 37.7 11 11 A V - 0 0 17 1,-0.1 80,-0.1 78,-0.1 78,-0.1 -0.949 7.8-173.3-114.9 108.7 40.9 -8.0 35.3 12 12 A E + 0 0 104 -2,-0.6 2,-0.4 78,-0.3 79,-0.2 0.826 66.4 37.6 -71.9 -35.3 43.6 -5.5 36.3 13 13 A L E -e 91 0B 82 77,-2.1 79,-2.3 39,-0.0 2,-0.4 -0.931 60.0-173.4-123.8 143.3 42.8 -2.7 33.9 14 14 A R E -e 92 0B 71 36,-0.4 36,-3.3 -2,-0.4 2,-0.3 -0.998 3.6-168.9-134.7 142.1 39.6 -1.3 32.6 15 15 A A E -eF 93 49B 5 77,-2.5 79,-2.6 -2,-0.4 2,-0.4 -0.909 2.9-162.6-126.1 151.9 39.1 1.4 29.9 16 16 A A E +eF 94 48B 0 32,-2.5 32,-2.0 -2,-0.3 2,-0.3 -1.000 18.4 150.0-140.4 137.3 35.9 3.2 29.0 17 17 A G E -eF 95 47B 0 77,-2.4 79,-1.9 -2,-0.4 2,-0.3 -0.871 28.2-118.2-150.6-175.5 35.0 5.2 25.9 18 18 A V E -e 96 0B 1 28,-1.9 2,-0.9 -2,-0.3 79,-0.2 -0.959 12.7-138.3-138.9 152.1 32.2 6.2 23.6 19 19 A V E -e 97 0B 0 77,-3.0 79,-2.0 -2,-0.3 2,-0.7 -0.879 37.6-167.4-101.3 94.0 30.9 6.0 20.1 20 20 A L E -e 98 0B 0 -2,-0.9 8,-2.0 8,-0.4 2,-0.3 -0.783 6.1-174.7 -91.4 115.4 29.8 9.6 19.8 21 21 A L B -I 27 0C 5 77,-1.5 6,-0.2 -2,-0.7 2,-0.1 -0.841 11.8-146.9-109.9 146.1 27.6 10.4 16.8 22 22 A N > - 0 0 24 4,-1.6 3,-1.4 -2,-0.3 -1,-0.0 -0.307 46.0 -78.6 -95.0-172.6 26.4 13.8 15.7 23 23 A E T 3 S+ 0 0 174 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.726 130.9 49.7 -60.6 -23.6 23.0 14.5 14.0 24 24 A R T 3 S- 0 0 166 2,-0.1 -1,-0.3 128,-0.0 3,-0.1 0.502 118.9-105.4 -94.5 -5.5 24.3 13.2 10.6 25 25 A G < + 0 0 0 -3,-1.4 2,-0.1 1,-0.3 -2,-0.1 0.569 69.4 148.7 93.1 8.0 25.7 9.9 11.9 26 26 A D - 0 0 16 95,-0.1 -4,-1.6 1,-0.1 2,-0.4 -0.489 41.6-129.6 -74.1 149.8 29.3 11.0 11.7 27 27 A I E -IJ 21 120C 0 93,-2.5 93,-2.5 -6,-0.2 2,-0.6 -0.826 7.1-127.5-107.9 140.9 31.6 9.5 14.4 28 28 A L E - J 0 119C 0 -8,-2.0 -8,-0.4 -2,-0.4 2,-0.3 -0.756 35.3-179.4 -86.7 118.7 34.0 11.3 16.7 29 29 A L E - J 0 118C 0 89,-3.0 89,-2.7 -2,-0.6 2,-0.4 -0.881 20.5-144.3-121.8 152.8 37.5 9.8 16.4 30 30 A V E -KJ 44 117C 0 14,-3.6 14,-2.7 -2,-0.3 2,-0.4 -0.940 16.9-142.5-115.9 135.3 40.8 10.5 18.1 31 31 A Q E -KJ 43 116C 21 85,-3.0 84,-3.0 -2,-0.4 85,-1.0 -0.832 11.8-126.7-105.5 136.3 44.2 10.2 16.3 32 32 A E - 0 0 5 10,-2.8 2,-1.1 -2,-0.4 9,-0.4 -0.306 30.7-108.5 -69.5 157.5 47.4 8.9 17.8 33 33 A K S S- 0 0 103 80,-0.5 -1,-0.1 79,-0.2 81,-0.1 -0.742 73.2 -50.9 -95.0 94.9 50.6 11.0 17.4 34 34 A G 0 0 33 -2,-1.1 8,-0.4 4,-0.0 6,-0.1 -0.216 360.0 360.0 74.7-168.2 52.7 9.3 14.9 35 35 A I 0 0 126 4,-0.2 4,-0.1 6,-0.1 6,-0.1 -0.968 360.0 360.0-138.4 360.0 53.7 5.6 15.0 36 ! 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 37 39 A P 0 0 171 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.6 58.3 8.1 10.5 38 40 A E + 0 0 162 2,-0.1 2,-0.4 -4,-0.1 -4,-0.0 0.170 360.0 104.2-104.2 12.5 56.2 9.5 7.7 39 41 A K S S- 0 0 98 -4,-0.1 -4,-0.2 1,-0.0 2,-0.1 -0.792 72.9-120.0 -96.6 141.5 53.0 7.4 8.5 40 42 A A - 0 0 45 -2,-0.4 -7,-0.1 1,-0.1 -2,-0.1 -0.464 35.6 -98.2 -76.8 150.9 50.0 9.2 10.2 41 43 A G - 0 0 2 -9,-0.4 -6,-0.1 -2,-0.1 -1,-0.1 -0.259 43.5-105.0 -65.2 157.1 48.9 7.9 13.6 42 44 A L - 0 0 23 -8,-0.4 -10,-2.8 -11,-0.1 2,-0.3 -0.376 31.7-114.9 -83.6 164.6 45.9 5.6 13.7 43 45 A W E +Kl 31 134C 30 90,-2.9 92,-1.8 -12,-0.2 93,-0.5 -0.776 34.6 162.9-106.0 145.0 42.4 6.4 14.8 44 46 A H E -K 30 0C 15 -14,-2.7 -14,-3.6 -2,-0.3 3,-0.1 -0.918 41.5 -86.9-147.3 169.0 40.4 5.3 17.8 45 47 A I - 0 0 6 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.404 58.6 -86.6 -76.2 159.0 37.3 6.2 19.8 46 48 A P S S+ 0 0 0 0, 0.0 -28,-1.9 0, 0.0 2,-0.3 -0.560 75.6 141.1 -66.2 125.5 37.7 8.7 22.7 47 49 A S E +F 17 0B 12 -2,-0.3 2,-0.3 -30,-0.2 -30,-0.3 -0.976 22.3 168.5-165.6 152.4 38.5 6.4 25.5 48 50 A G E -F 16 0B 13 -32,-2.0 -32,-2.5 -2,-0.3 15,-0.1 -0.962 41.9 -55.3-159.9 176.2 40.8 6.2 28.6 49 51 A A E -F 15 0B 69 -2,-0.3 2,-0.5 -34,-0.2 -34,-0.3 -0.290 43.2-133.0 -64.2 139.3 41.6 4.4 31.8 50 52 A V - 0 0 16 -36,-3.3 -36,-0.4 -2,-0.0 3,-0.1 -0.823 27.3-119.0 -90.2 126.1 39.0 3.8 34.4 51 53 A E > - 0 0 130 -2,-0.5 3,-1.9 1,-0.1 2,-0.1 -0.394 41.9 -90.7 -64.8 143.5 40.3 4.7 37.9 52 54 A D T 3 S+ 0 0 166 1,-0.3 -1,-0.1 -2,-0.0 3,-0.1 -0.356 114.0 8.7 -57.0 123.9 40.2 1.7 40.2 53 55 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.117 100.9 118.5 92.3 -23.1 36.8 1.8 41.9 54 56 A E S < S- 0 0 47 -3,-1.9 -1,-0.3 1,-0.1 -4,-0.0 -0.499 76.7 -93.9 -81.1 150.8 35.3 4.5 39.8 55 57 A N > - 0 0 20 -2,-0.2 4,-2.1 1,-0.1 3,-0.2 -0.418 26.1-144.2 -64.5 123.4 32.2 3.9 37.6 56 58 A P H > S+ 0 0 7 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.819 99.4 56.5 -58.3 -33.2 33.2 3.0 34.0 57 59 A Q H > S+ 0 0 26 177,-0.3 4,-1.6 2,-0.2 5,-0.1 0.926 109.1 45.3 -65.7 -43.6 30.2 4.8 32.6 58 60 A D H > S+ 0 0 69 1,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.875 110.3 55.7 -65.9 -37.0 31.3 8.1 34.3 59 61 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.888 104.1 53.3 -61.5 -41.3 34.9 7.4 33.1 60 62 A A H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.912 111.9 45.2 -60.3 -43.9 33.7 7.2 29.5 61 63 A V H X S+ 0 0 38 -4,-1.6 4,-1.6 2,-0.2 11,-0.3 0.906 114.9 48.0 -65.0 -44.8 32.0 10.6 29.8 62 64 A R H X S+ 0 0 71 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.943 112.4 48.2 -61.6 -51.2 35.0 12.1 31.6 63 65 A E H X S+ 0 0 21 -4,-3.2 4,-2.4 1,-0.2 5,-0.3 0.872 107.1 55.7 -58.9 -42.0 37.5 10.8 29.0 64 66 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 6,-0.6 0.922 112.3 43.5 -59.0 -43.1 35.5 12.0 26.1 65 67 A C H X S+ 0 0 29 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.919 111.9 53.2 -68.5 -44.0 35.5 15.5 27.5 66 68 A E H < S+ 0 0 112 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.874 118.3 35.6 -58.6 -39.1 39.2 15.3 28.4 67 69 A E H < S+ 0 0 22 -4,-2.4 42,-2.0 -5,-0.2 -1,-0.2 0.799 133.2 22.0 -88.3 -30.4 40.2 14.3 24.9 68 70 A T H < S- 0 0 0 -4,-2.2 39,-2.6 -5,-0.3 -3,-0.2 0.559 92.3-123.0-114.3 -13.5 37.8 16.2 22.7 69 71 A G S < S+ 0 0 25 -4,-2.4 2,-0.5 -5,-0.4 36,-0.2 0.494 71.5 127.5 81.0 3.5 36.6 19.1 24.9 70 72 A L - 0 0 6 -6,-0.6 2,-0.4 34,-0.1 -1,-0.3 -0.820 57.6-139.6-101.3 130.8 33.1 17.9 24.4 71 73 A R - 0 0 134 -2,-0.5 30,-2.5 30,-0.1 2,-0.3 -0.715 33.6-170.8 -81.4 129.7 30.6 17.3 27.2 72 74 A V E -G 100 0B 8 -2,-0.4 -7,-0.1 -11,-0.3 -8,-0.0 -0.895 22.5-138.3-128.2 157.8 28.7 14.2 26.3 73 75 A R E -G 99 0B 102 26,-3.2 26,-2.0 -2,-0.3 2,-0.3 -0.953 24.2-126.4-114.6 124.8 25.7 12.2 27.5 74 76 A P E +G 98 0B 46 0, 0.0 24,-0.3 0, 0.0 3,-0.1 -0.557 29.4 178.4 -70.1 130.7 25.8 8.4 27.7 75 77 A V E - 0 0 62 22,-3.4 2,-0.3 1,-0.3 23,-0.2 0.839 58.8 -13.8-100.0 -46.6 22.8 7.1 25.8 76 78 A K E -G 97 0B 30 21,-1.3 21,-3.4 138,-0.0 -1,-0.3 -0.970 65.9-106.5-160.9 143.3 23.1 3.3 25.9 77 79 A F E -G 96 0B 0 -2,-0.3 137,-0.3 19,-0.2 19,-0.2 -0.548 31.2-178.2 -70.9 134.0 25.7 0.7 26.7 78 80 A L E - 0 0 12 17,-2.8 2,-0.3 1,-0.3 18,-0.2 0.806 47.8 -66.9-103.0 -41.9 27.0 -1.0 23.6 79 81 A G E -G 95 0B 6 16,-1.7 16,-2.6 133,-0.1 2,-0.3 -0.952 30.3-123.0 167.7 171.6 29.5 -3.6 24.8 80 82 A A E -G 94 0B 3 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.990 22.9-172.0-139.3 143.8 32.7 -4.6 26.5 81 83 A Y E -G 93 0B 17 12,-1.9 12,-2.7 -2,-0.3 2,-0.4 -0.961 17.1-122.6-138.7 159.4 35.5 -6.7 25.2 82 84 A L E +G 92 0B 4 84,-0.4 84,-2.3 -2,-0.3 2,-0.3 -0.845 23.6 175.0-111.7 136.8 38.7 -8.2 26.6 83 85 A G E -GH 91 165B 6 8,-2.4 8,-2.6 -2,-0.4 2,-0.4 -0.896 16.5-145.9-131.0 160.6 42.3 -8.0 25.7 84 86 A R E -GH 90 164B 78 80,-2.3 80,-2.8 -2,-0.3 6,-0.2 -0.981 11.0-140.7-133.5 123.6 45.6 -9.2 27.1 85 87 A F > - 0 0 31 4,-2.7 3,-2.6 -2,-0.4 78,-0.2 -0.350 38.1 -99.2 -73.8 161.5 49.0 -7.5 27.0 86 88 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 77,-0.1 0.800 123.2 58.7 -51.3 -33.0 52.1 -9.6 26.4 87 89 A D T 3 S- 0 0 125 2,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.450 123.9-102.2 -79.4 2.1 52.9 -9.7 30.2 88 90 A G S < S+ 0 0 26 -3,-2.6 2,-0.2 1,-0.3 -1,-0.1 0.305 72.0 146.5 97.6 -8.8 49.5 -11.3 30.8 89 91 A V - 0 0 32 -5,-0.1 -4,-2.7 -78,-0.1 2,-0.3 -0.421 39.8-140.3 -66.2 130.2 47.7 -8.2 32.1 90 92 A L E - G 0 84B 3 -80,-0.2 -77,-2.1 -6,-0.2 2,-0.4 -0.719 15.2-168.0 -93.3 143.0 44.0 -8.2 31.2 91 93 A I E -eG 13 83B 13 -8,-2.6 -8,-2.4 -2,-0.3 2,-0.6 -0.994 7.7-156.8-132.5 126.8 42.1 -5.1 30.1 92 94 A L E -eG 14 82B 2 -79,-2.3 -77,-2.5 -2,-0.4 2,-0.5 -0.916 11.7-157.6-104.5 116.8 38.4 -4.8 29.8 93 95 A R E -eG 15 81B 12 -12,-2.7 -12,-1.9 -2,-0.6 2,-0.4 -0.828 5.0-159.9 -97.7 130.9 37.3 -2.0 27.4 94 96 A H E -eG 16 80B 1 -79,-2.6 -77,-2.4 -2,-0.5 2,-0.4 -0.887 4.6-164.1-111.3 141.1 33.7 -0.6 27.8 95 97 A V E -eG 17 79B 2 -16,-2.6 -17,-2.8 -2,-0.4 -16,-1.7 -0.985 5.4-174.2-132.3 131.0 31.8 1.3 25.1 96 98 A W E -eG 18 77B 2 -79,-1.9 -77,-3.0 -2,-0.4 2,-0.4 -0.901 28.6-122.1-120.2 149.0 28.8 3.5 25.3 97 99 A L E -eG 19 76B 3 -21,-3.4 -22,-3.4 -2,-0.3 -21,-1.3 -0.746 45.5-178.7 -80.7 131.1 26.7 5.2 22.6 98 100 A A E -eG 20 74B 0 -79,-2.0 -77,-1.5 -2,-0.4 -26,-0.0 -0.927 25.2-151.8-137.3 163.4 26.8 8.9 23.4 99 101 A E E - 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