==== 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 HYDROLASE 21-SEP-05 2D30 . COMPND 2 MOLECULE: CYTIDINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR V.M.LEVDIKOV,E.V.BLAGOVA,M.J.FOGG,J.A.BRANNIGAN,O.V.MOROZ, . 248 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 18.1 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 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 15 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 0 2 2 2 0 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 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 PARALLEL BRIDGES PER LADDER . 2 0 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 0 117 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-133.1 -4.4 24.2 -1.7 2 2 A N > - 0 0 94 1,-0.0 4,-1.4 0, 0.0 3,-0.3 -0.909 360.0 -88.4 169.7 169.0 -2.3 25.9 1.0 3 3 A S H > S+ 0 0 34 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.827 119.7 58.6 -79.2 -29.3 -2.9 27.4 4.4 4 4 A K H > S+ 0 0 169 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.805 106.5 49.7 -70.7 -27.7 -3.6 31.0 3.1 5 5 A Q H > S+ 0 0 79 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.863 108.9 50.2 -79.9 -37.0 -6.5 29.7 1.0 6 6 A L H X S+ 0 0 1 -4,-1.4 4,-1.7 2,-0.2 68,-0.2 0.832 110.0 52.7 -69.2 -29.8 -8.1 27.8 3.8 7 7 A I H X S+ 0 0 17 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.918 107.0 51.7 -69.9 -41.6 -7.8 31.0 5.9 8 8 A Q H X S+ 0 0 85 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.902 107.8 52.3 -60.6 -43.6 -9.5 33.0 3.2 9 9 A E H X S+ 0 0 37 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.850 109.7 48.8 -60.2 -41.5 -12.4 30.4 3.1 10 10 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.810 106.2 57.5 -63.3 -35.3 -12.8 30.8 6.9 11 11 A I H X S+ 0 0 35 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.929 110.9 42.8 -61.7 -43.5 -12.8 34.6 6.5 12 12 A E H >< S+ 0 0 65 -4,-1.9 3,-1.0 1,-0.2 4,-0.3 0.898 110.4 56.4 -66.1 -43.2 -15.8 34.1 4.1 13 13 A A H >< S+ 0 0 5 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.855 97.7 63.6 -55.2 -38.4 -17.4 31.6 6.5 14 14 A R H >< S+ 0 0 33 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.759 86.9 71.3 -62.4 -29.4 -17.4 34.1 9.4 15 15 A K T << S+ 0 0 117 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.699 92.6 57.1 -59.7 -25.8 -19.7 36.4 7.5 16 16 A Q T < S+ 0 0 148 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.405 78.2 134.9 -87.0 4.4 -22.7 34.0 8.0 17 17 A A < - 0 0 16 -3,-1.6 2,-0.7 -4,-0.1 26,-0.2 -0.137 50.0-145.1 -58.1 144.2 -22.4 33.9 11.8 18 18 A Y B +a 43 0A 124 24,-2.0 26,-3.0 1,-0.1 -1,-0.1 -0.901 43.2 143.3-110.7 99.4 -25.6 34.3 14.0 19 19 A V > + 0 0 10 -2,-0.7 4,-1.7 24,-0.2 -1,-0.1 -0.376 4.3 145.6-139.7 54.3 -24.4 36.2 17.0 20 20 A P T 4 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 26,-0.0 0.645 79.6 43.9 -75.7 -9.5 -26.9 38.8 18.3 21 21 A Y T 4 S+ 0 0 95 3,-0.1 -2,-0.1 24,-0.0 25,-0.0 0.888 127.5 23.0 -99.7 -52.3 -25.9 38.4 22.0 22 22 A S T 4 S- 0 0 56 2,-0.1 3,-0.1 1,-0.0 -3,-0.1 0.712 84.4-150.1 -79.8 -27.0 -22.0 38.3 21.9 23 23 A K < + 0 0 153 -4,-1.7 2,-0.8 1,-0.2 -4,-0.1 0.473 55.1 130.0 66.4 6.6 -21.9 40.2 18.6 24 24 A F - 0 0 87 53,-0.0 2,-0.2 -5,-0.0 -1,-0.2 -0.779 46.3-155.3-104.6 97.1 -18.6 38.3 18.0 25 25 A Q - 0 0 60 -2,-0.8 53,-0.6 -8,-0.1 2,-0.3 -0.532 12.7-178.2 -76.4 135.5 -18.4 36.5 14.6 26 26 A V E -C 77 0B 19 -2,-0.2 16,-1.1 -12,-0.2 2,-0.3 -0.978 4.4-167.4-126.9 145.0 -16.1 33.4 14.1 27 27 A G E -CD 76 41B 0 49,-2.3 49,-2.6 -2,-0.3 2,-0.3 -0.942 4.3-176.3-125.7 153.9 -15.5 31.4 11.0 28 28 A A E -CD 75 40B 0 12,-2.0 12,-2.3 -2,-0.3 2,-0.4 -0.972 7.4-162.6-139.6 154.2 -13.8 28.0 10.3 29 29 A A E -CD 74 39B 0 45,-1.9 45,-2.3 -2,-0.3 2,-0.4 -0.986 9.3-157.3-140.6 135.6 -13.0 26.0 7.1 30 30 A L E -CD 73 38B 1 8,-2.8 8,-2.4 -2,-0.4 2,-0.5 -0.897 3.7-151.3-120.0 134.2 -12.2 22.3 7.0 31 31 A L E -CD 72 37B 21 41,-2.8 40,-2.2 -2,-0.4 41,-1.3 -0.936 9.3-145.7-113.0 127.1 -10.3 20.5 4.3 32 32 A T E > -C 70 0B 4 4,-2.6 3,-3.4 -2,-0.5 38,-0.3 -0.526 30.6-107.9 -84.0 154.0 -10.8 16.9 3.4 33 33 A Q T 3 S+ 0 0 116 36,-2.8 37,-0.1 1,-0.3 -1,-0.1 0.798 125.1 52.7 -40.5 -38.0 -8.1 14.4 2.2 34 34 A D T 3 S- 0 0 151 35,-0.3 -1,-0.3 2,-0.1 36,-0.1 0.440 125.1-105.0 -79.3 -6.2 -9.8 14.7 -1.2 35 35 A G < + 0 0 50 -3,-3.4 2,-0.4 1,-0.3 -2,-0.1 0.724 69.2 146.6 83.6 22.3 -9.6 18.5 -1.1 36 36 A K - 0 0 96 2,-0.0 -4,-2.6 -4,-0.0 2,-0.5 -0.736 37.7-143.2 -84.5 139.7 -13.3 19.3 -0.4 37 37 A V E -D 31 0B 41 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.918 13.3-169.1-109.0 133.8 -13.8 22.4 1.8 38 38 A Y E -D 30 0B 10 -8,-2.4 -8,-2.8 -2,-0.5 2,-0.3 -0.987 10.5-156.0-119.3 128.7 -16.5 22.8 4.4 39 39 A R E +D 29 0B 104 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.687 14.4 174.7-101.7 150.1 -17.3 26.2 6.0 40 40 A G E -D 28 0B 5 -12,-2.3 -12,-2.0 -2,-0.3 2,-0.3 -0.978 11.7-167.3-148.6 167.3 -18.8 26.9 9.3 41 41 A C E -D 27 0B 17 -2,-0.3 -14,-0.2 -14,-0.2 16,-0.1 -0.956 36.9 -88.8-145.0 162.0 -19.7 29.8 11.7 42 42 A N - 0 0 18 -16,-1.1 -24,-2.0 -2,-0.3 2,-0.4 -0.452 34.9-159.7 -73.7 145.6 -20.8 30.2 15.3 43 43 A V B -aB 18 52A 63 9,-2.8 9,-3.0 -26,-0.2 -24,-0.2 -0.969 12.1-156.1-132.0 115.5 -24.6 30.1 16.0 44 44 A E - 0 0 24 -26,-3.0 2,-0.3 -2,-0.4 4,-0.1 -0.399 7.6-159.1 -96.6 166.0 -25.9 31.6 19.2 45 45 A N - 0 0 69 3,-0.1 6,-0.2 -2,-0.1 5,-0.1 -0.957 32.6-119.3-139.2 151.5 -29.0 31.2 21.5 46 46 A A S S+ 0 0 64 -2,-0.3 2,-1.0 1,-0.2 3,-0.1 0.773 113.5 67.7 -63.3 -28.5 -30.6 33.4 24.1 47 47 A S S > S- 0 0 69 1,-0.2 3,-2.5 -3,-0.0 -1,-0.2 -0.860 87.7-153.6 -86.8 97.4 -29.8 30.5 26.4 48 48 A Y G > S+ 0 0 160 -2,-1.0 3,-2.5 1,-0.3 -1,-0.2 0.824 85.7 66.0 -45.2 -45.8 -26.0 31.0 26.3 49 49 A G G 3 S+ 0 0 84 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.671 95.5 58.8 -53.4 -19.9 -25.3 27.2 27.0 50 50 A L G < S+ 0 0 121 -3,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.356 77.4 124.0 -93.9 3.5 -26.9 26.2 23.6 51 51 A C < - 0 0 45 -3,-2.5 2,-0.4 -4,-0.2 -7,-0.2 -0.345 50.2-146.0 -62.2 143.0 -24.4 28.4 21.5 52 52 A N B -B 43 0A 42 -9,-3.0 -9,-2.8 -2,-0.0 2,-0.1 -0.969 7.7-129.4-122.4 131.0 -22.5 26.5 18.8 53 53 A C > - 0 0 35 -2,-0.4 4,-2.0 -11,-0.2 3,-0.4 -0.315 19.3-118.3 -79.0 150.7 -18.9 27.2 17.6 54 54 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -26,-0.2 0.827 112.2 55.6 -46.7 -45.5 -17.7 27.6 14.1 55 55 A E H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 109.9 46.7 -63.9 -43.7 -15.3 24.6 14.2 56 56 A R H > S+ 0 0 58 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.880 108.2 54.5 -63.1 -45.4 -18.3 22.3 15.2 57 57 A T H X S+ 0 0 34 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.901 112.2 45.1 -58.4 -40.7 -20.6 23.6 12.6 58 58 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.945 115.8 46.1 -65.5 -48.1 -17.9 22.8 9.9 59 59 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.898 113.3 47.3 -64.4 -46.2 -17.1 19.3 11.3 60 60 A F H X S+ 0 0 100 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.776 109.9 54.9 -67.0 -32.1 -20.8 18.2 11.8 61 61 A K H X S+ 0 0 88 -4,-1.3 4,-1.2 -5,-0.3 -2,-0.2 0.917 109.5 46.6 -62.9 -48.3 -21.5 19.5 8.3 62 62 A A H <>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 3,-0.4 0.917 113.0 48.8 -60.4 -49.1 -18.7 17.3 6.8 63 63 A V H ><5S+ 0 0 58 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.917 108.4 54.5 -55.1 -42.9 -19.8 14.2 8.8 64 64 A S H 3<5S+ 0 0 85 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.765 108.3 49.4 -67.9 -23.4 -23.4 14.7 7.7 65 65 A E T 3<5S- 0 0 121 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.300 125.3-100.3 -96.6 7.5 -22.4 14.7 4.1 66 66 A G T < 5S+ 0 0 56 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.519 79.3 130.9 89.5 5.3 -20.3 11.5 4.5 67 67 A D < + 0 0 38 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.813 14.1 156.0 -96.4 130.1 -16.8 12.9 4.8 68 68 A K + 0 0 146 -2,-0.5 2,-0.6 1,-0.1 -1,-0.1 0.367 48.7 85.7-130.4 0.4 -14.8 11.6 7.8 69 69 A E - 0 0 93 28,-0.1 -36,-2.8 29,-0.0 2,-0.4 -0.875 55.4-178.5-120.1 103.6 -11.1 12.1 6.7 70 70 A F E +C 32 0B 10 -2,-0.6 28,-0.5 26,-0.3 -38,-0.2 -0.841 20.6 179.3-114.2 132.9 -9.8 15.6 7.4 71 71 A V E - 0 0 51 -40,-2.2 31,-1.4 -2,-0.4 2,-0.3 0.786 67.9 -1.1-101.2 -36.3 -6.3 17.0 6.6 72 72 A A E -Ce 31 102B 4 -41,-1.3 -41,-2.8 29,-0.2 2,-0.3 -0.999 49.1-157.4-153.5 153.4 -6.5 20.6 7.9 73 73 A I E -Ce 30 103B 0 29,-2.9 31,-2.8 -2,-0.3 2,-0.4 -0.999 6.1-161.3-129.2 142.6 -8.7 23.2 9.6 74 74 A A E -Ce 29 104B 0 -45,-2.3 -45,-1.9 -2,-0.3 2,-0.4 -0.948 7.8-166.9-113.1 140.2 -8.5 27.1 9.7 75 75 A I E -Ce 28 105B 8 29,-2.5 31,-2.9 -2,-0.4 2,-0.4 -0.998 5.7-171.9-132.1 132.3 -10.2 29.3 12.3 76 76 A V E +Ce 27 106B 1 -49,-2.6 -49,-2.3 -2,-0.4 2,-0.3 -0.976 13.4 152.2-133.7 132.8 -10.7 33.1 12.1 77 77 A A E -C 26 0B 5 29,-1.1 2,-2.0 -2,-0.4 31,-0.4 -0.974 53.6 -98.7-149.9 159.5 -11.9 35.9 14.5 78 78 A D S S+ 0 0 84 -53,-0.6 2,-0.2 -2,-0.3 29,-0.1 -0.466 73.0 137.1 -81.6 66.6 -11.4 39.7 15.0 79 79 A T - 0 0 22 -2,-2.0 29,-0.3 27,-0.1 30,-0.2 -0.676 64.4-120.9-106.5 164.8 -8.9 39.2 17.9 80 80 A K S S+ 0 0 191 -2,-0.2 31,-0.2 1,-0.1 -1,-0.1 0.928 103.1 17.3 -69.8 -52.8 -5.6 40.9 18.7 81 81 A R S S- 0 0 208 25,-0.1 2,-0.1 -3,-0.0 -1,-0.1 -0.839 107.4 -84.6-110.1 160.9 -3.6 37.7 18.6 82 82 A P - 0 0 22 0, 0.0 25,-0.1 0, 0.0 23,-0.1 -0.457 49.7-144.8 -64.7 131.6 -4.9 34.5 16.9 83 83 A V - 0 0 65 23,-0.4 23,-0.2 -2,-0.1 3,-0.1 -0.842 4.8-130.1-104.6 143.8 -7.1 32.7 19.5 84 84 A P - 0 0 30 0, 0.0 3,-0.1 0, 0.0 6,-0.0 -0.373 38.5 -84.6 -83.9 159.9 -7.3 28.9 19.8 85 85 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 20,-0.0 -0.172 50.7 -97.9 -56.5 153.6 -10.6 27.0 20.0 86 86 A C >> - 0 0 43 1,-0.1 4,-1.8 -3,-0.1 3,-0.7 -0.360 42.4 -98.5 -71.1 161.8 -12.4 26.7 23.3 87 87 A G H 3> S+ 0 0 0 1,-0.3 4,-1.5 2,-0.2 126,-0.4 0.779 122.7 55.7 -58.4 -32.6 -11.9 23.4 25.2 88 88 A A H 3> S+ 0 0 20 124,-0.4 4,-1.6 2,-0.2 -1,-0.3 0.869 107.7 49.1 -67.4 -39.2 -15.2 21.9 24.0 89 89 A C H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.898 108.1 55.4 -63.2 -36.9 -14.2 22.5 20.4 90 90 A R H X S+ 0 0 4 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.871 105.5 51.9 -63.9 -35.5 -10.8 20.9 21.1 91 91 A Q H X S+ 0 0 60 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.883 108.2 50.3 -72.5 -37.2 -12.5 17.8 22.3 92 92 A V H X S+ 0 0 28 -4,-1.6 4,-2.0 1,-0.2 3,-0.5 0.949 109.4 50.9 -64.6 -43.6 -14.7 17.5 19.2 93 93 A M H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.837 105.9 56.0 -62.7 -39.1 -11.7 17.8 16.9 94 94 A V H < S+ 0 0 27 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.840 111.0 44.8 -57.1 -37.8 -9.8 15.1 18.9 95 95 A E H < S+ 0 0 158 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.853 123.2 33.6 -76.5 -37.7 -12.8 12.7 18.2 96 96 A L H < S+ 0 0 51 -4,-2.0 -26,-0.3 -5,-0.1 2,-0.3 0.637 117.5 48.5 -99.4 -12.7 -13.2 13.5 14.6 97 97 A C S < S- 0 0 15 -4,-2.2 2,-0.1 -5,-0.2 -26,-0.1 -0.827 82.2 -99.4-127.3 166.6 -9.7 14.2 13.4 98 98 A K > - 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