==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAR-11 3R2N . COMPND 2 MOLECULE: CYTIDINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM LEPRAE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 481 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17468.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 19.1 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 . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 19 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 4 0 0 0 0 0 0 9 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 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 0 0 PARALLEL BRIDGES PER LADDER . 8 0 0 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 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 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 3 A D 0 0 219 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.5 25.2 27.8 30.9 2 4 A V - 0 0 19 70,-0.0 2,-0.9 30,-0.0 0, 0.0 -0.976 360.0-145.8-116.7 130.5 25.5 24.0 30.3 3 5 A N > - 0 0 85 -2,-0.4 4,-1.0 1,-0.2 3,-0.1 -0.825 17.4-178.1 -91.9 103.4 26.7 21.6 33.0 4 6 A W H > S+ 0 0 47 -2,-0.9 4,-2.1 1,-0.2 5,-0.2 0.799 77.7 59.0 -75.3 -31.1 28.6 19.0 31.0 5 7 A D H > S+ 0 0 118 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.884 102.5 55.6 -64.5 -36.1 29.5 16.7 33.9 6 8 A T H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 109.9 45.5 -65.0 -37.9 25.7 16.4 34.7 7 9 A L H X S+ 0 0 0 -4,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.886 111.2 51.4 -71.0 -40.6 25.0 15.1 31.2 8 10 A Q H X S+ 0 0 47 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.858 114.1 44.1 -69.3 -31.3 28.0 12.7 31.1 9 11 A K H X S+ 0 0 49 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.900 113.9 50.0 -75.9 -40.4 26.9 11.2 34.4 10 12 A A H X S+ 0 0 20 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.887 112.0 48.7 -64.3 -37.0 23.3 11.0 33.3 11 13 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 18,-0.2 0.959 113.1 46.1 -65.8 -50.7 24.3 9.3 30.1 12 14 A V H X S+ 0 0 43 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.913 112.4 51.5 -58.5 -45.7 26.5 6.8 31.9 13 15 A A H >< S+ 0 0 68 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.930 111.5 47.3 -55.5 -46.7 23.7 6.2 34.4 14 16 A A H >< S+ 0 0 11 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.787 96.4 73.4 -66.7 -32.4 21.2 5.6 31.5 15 17 A R H >< S+ 0 0 49 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.701 77.3 78.4 -57.8 -25.2 23.6 3.2 29.7 16 18 A A T << S+ 0 0 86 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.841 92.7 50.5 -50.6 -37.9 22.8 0.6 32.3 17 19 A N T < S+ 0 0 58 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.290 82.9 139.7 -86.3 9.3 19.5 -0.2 30.5 18 20 A S < - 0 0 26 -3,-1.9 2,-0.6 1,-0.1 26,-0.2 -0.253 44.7-152.3 -59.3 138.2 21.2 -0.6 27.1 19 21 A Y B +a 44 0A 51 24,-2.6 26,-2.9 8,-0.1 3,-0.1 -0.807 44.8 134.3-108.5 84.9 20.0 -3.4 24.9 20 22 A A > + 0 0 11 -2,-0.6 4,-1.8 24,-0.2 5,-0.4 -0.379 7.0 142.3-128.5 55.6 23.1 -4.1 22.8 21 23 A P T 4 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 23,-0.0 0.721 73.0 53.5 -69.9 -19.9 23.4 -8.0 22.8 22 24 A Y T 4 S+ 0 0 85 -3,-0.1 -2,-0.1 1,-0.1 27,-0.0 0.884 122.3 22.4 -85.1 -42.3 24.6 -8.0 19.1 23 25 A S T 4 S- 0 0 30 2,-0.1 -1,-0.1 -3,-0.0 -3,-0.0 0.659 87.0-139.8 -95.0 -19.2 27.6 -5.6 19.3 24 26 A N < + 0 0 86 -4,-1.8 -4,-0.0 1,-0.2 -2,-0.0 0.836 69.1 122.8 55.4 32.5 28.2 -5.9 23.0 25 27 A F - 0 0 101 -5,-0.4 -1,-0.2 53,-0.0 2,-0.1 -0.800 47.9-166.0-126.7 81.8 28.8 -2.1 22.6 26 28 A P - 0 0 41 0, 0.0 2,-0.4 0, 0.0 53,-0.2 -0.448 4.9-167.8 -73.8 143.4 26.3 -0.4 25.0 27 29 A V - 0 0 11 -2,-0.1 16,-1.1 51,-0.1 2,-0.3 -0.998 9.0-169.9-134.2 140.4 25.7 3.4 24.6 28 30 A G E -CD 42 77B 0 49,-1.7 49,-3.3 -2,-0.4 2,-0.3 -0.943 4.8-171.1-122.9 149.9 24.0 6.0 26.7 29 31 A V E -CD 41 76B 0 12,-2.0 12,-1.8 -2,-0.3 2,-0.3 -0.997 4.3-174.8-139.0 146.3 23.1 9.6 25.8 30 32 A A E +CD 40 75B 0 45,-2.4 45,-3.1 -2,-0.3 2,-0.3 -0.994 10.0 171.8-136.4 143.2 21.8 12.6 27.8 31 33 A G E -CD 39 74B 0 8,-2.5 8,-2.4 -2,-0.3 2,-0.4 -0.989 28.4-120.5-147.5 158.3 20.7 16.0 26.7 32 34 A F E -CD 38 73B 35 41,-2.4 40,-3.0 -2,-0.3 41,-1.1 -0.848 22.1-143.7 -96.8 133.6 19.1 19.3 27.8 33 35 A V E > - D 0 71B 2 4,-2.9 3,-3.0 -2,-0.4 38,-0.2 -0.606 36.2 -99.7 -85.9 156.4 15.8 20.6 26.2 34 36 A N T 3 S+ 0 0 95 36,-2.8 37,-0.1 1,-0.3 -1,-0.1 0.503 124.4 58.1 -54.2 -7.4 15.4 24.4 25.8 35 37 A D T 3 S- 0 0 100 35,-0.2 -1,-0.3 2,-0.1 34,-0.0 0.185 122.3-105.1-107.2 11.1 13.3 24.4 29.0 36 38 A G S < S+ 0 0 53 -3,-3.0 -2,-0.1 1,-0.3 2,-0.1 0.320 73.5 139.5 88.3 -9.7 16.1 23.0 31.0 37 39 A R - 0 0 58 -5,-0.1 -4,-2.9 1,-0.1 2,-0.5 -0.402 47.7-131.5 -73.3 148.7 14.7 19.4 31.4 38 40 A L E +C 32 0B 70 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.872 26.5 178.8-105.1 125.4 17.1 16.5 31.1 39 41 A I E -C 31 0B 9 -8,-2.4 -8,-2.5 -2,-0.5 2,-0.3 -0.927 5.2-166.2-124.4 150.4 16.3 13.5 28.8 40 42 A T E -C 30 0B 43 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.817 5.9-171.7-127.6 171.2 18.2 10.3 28.1 41 43 A G E -C 29 0B 2 -12,-1.8 -12,-2.0 -2,-0.3 2,-0.3 -0.972 6.2-157.2-157.4 158.0 18.2 7.3 25.6 42 44 A V E -C 28 0B 3 -2,-0.3 2,-0.2 -14,-0.2 16,-0.2 -0.895 32.0 -96.0-130.6 161.4 20.0 4.0 25.1 43 45 A N - 0 0 12 -16,-1.1 -24,-2.6 -2,-0.3 2,-0.4 -0.527 29.2-165.8 -79.4 145.4 20.7 1.8 22.1 44 46 A V B -aB 19 53A 3 9,-2.5 9,-3.2 -2,-0.2 -24,-0.2 -0.913 10.4-164.2-135.7 105.5 18.3 -1.1 21.3 45 47 A E - 0 0 12 -26,-2.9 2,-0.3 -2,-0.4 4,-0.1 -0.120 2.8-151.3 -84.8 179.2 19.7 -3.5 18.7 46 48 A N - 0 0 0 3,-0.1 6,-0.2 1,-0.1 5,-0.2 -0.983 32.1-109.4-154.0 150.2 17.7 -6.1 16.8 47 49 A A S S+ 0 0 59 -2,-0.3 2,-0.9 1,-0.2 -1,-0.1 0.862 117.3 61.8 -50.9 -39.9 18.4 -9.5 15.2 48 50 A S S > S- 0 0 16 1,-0.2 3,-2.8 -3,-0.1 4,-0.3 -0.796 89.7-148.9 -84.2 102.6 18.0 -7.6 11.9 49 51 A Y G > S+ 0 0 41 -2,-0.9 3,-2.7 1,-0.3 -1,-0.2 0.829 89.1 59.3 -43.2 -52.3 21.0 -5.2 12.2 50 52 A G G 3 S+ 0 0 13 1,-0.3 -1,-0.3 122,-0.1 122,-0.1 0.419 95.9 64.8 -66.2 3.7 19.5 -2.3 10.3 51 53 A L G < S+ 0 0 6 -3,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.469 74.6 124.0-101.9 -3.9 16.5 -2.2 12.7 52 54 A A < - 0 0 9 -3,-2.7 2,-0.5 -4,-0.3 -7,-0.3 -0.262 56.1-139.6 -50.7 134.3 18.8 -1.1 15.6 53 55 A L B -B 44 0A 7 -9,-3.2 -9,-2.5 369,-0.0 2,-0.1 -0.882 16.0-134.0 -99.1 131.1 17.8 2.1 17.3 54 56 A C > - 0 0 21 -2,-0.5 4,-1.7 -11,-0.2 3,-0.4 -0.409 23.6-109.7 -74.5 158.4 20.7 4.4 18.3 55 57 A A H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.926 122.0 53.3 -49.7 -49.0 20.9 6.0 21.8 56 58 A E H > S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.815 104.5 55.2 -57.9 -34.3 20.2 9.4 20.2 57 59 A C H > S+ 0 0 1 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.884 107.4 50.2 -67.5 -37.8 17.1 7.9 18.5 58 60 A S H X S+ 0 0 3 -4,-1.7 4,-1.9 -3,-0.3 -2,-0.2 0.917 109.8 49.4 -65.4 -44.7 15.8 6.8 21.9 59 61 A M H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.825 106.7 56.2 -56.9 -39.9 16.4 10.3 23.4 60 62 A I H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.922 108.7 47.5 -63.5 -44.1 14.5 11.9 20.4 61 63 A S H X S+ 0 0 4 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.873 110.4 52.0 -60.7 -37.5 11.6 9.7 21.3 62 64 A A H X S+ 0 0 26 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.923 103.6 59.4 -68.0 -38.5 12.0 10.8 24.9 63 65 A L H <>S+ 0 0 0 -4,-2.9 5,-2.0 2,-0.2 -2,-0.2 0.918 113.0 35.9 -50.5 -53.6 11.9 14.4 23.8 64 66 A Y H ><5S+ 0 0 21 -4,-1.7 3,-2.1 1,-0.2 -1,-0.2 0.904 112.0 58.5 -74.0 -39.9 8.4 14.1 22.2 65 67 A A H 3<5S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.823 107.8 50.7 -53.6 -30.7 7.0 11.7 24.8 66 68 A T T 3<5S- 0 0 73 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.262 135.2 -80.8-101.5 10.8 7.9 14.5 27.3 67 69 A G T < 5 - 0 0 47 -3,-2.1 -3,-0.2 -5,-0.1 2,-0.2 0.400 65.2 -90.6 116.7 -0.5 6.1 17.3 25.4 68 70 A G < + 0 0 12 -5,-2.0 2,-0.2 -6,-0.2 -2,-0.0 -0.603 56.1 142.9 101.0-160.7 8.4 18.6 22.6 69 71 A G - 0 0 30 -2,-0.2 2,-0.4 -36,-0.1 -2,-0.1 -0.585 52.3 -72.2 115.2-179.7 11.0 21.4 22.6 70 72 A R - 0 0 107 -2,-0.2 -36,-2.8 28,-0.1 28,-0.3 -0.934 42.8-118.2-114.5 140.4 14.3 22.0 21.0 71 73 A L E +D 33 0B 2 26,-2.2 -38,-0.2 -2,-0.4 3,-0.1 -0.582 29.7 178.1 -75.1 144.6 17.5 20.2 22.1 72 74 A V E + 0 0 65 -40,-3.0 31,-1.9 1,-0.4 2,-0.3 0.717 64.2 8.4-118.4 -40.6 20.1 22.5 23.4 73 75 A A E -De 32 103B 0 -41,-1.1 -41,-2.4 29,-0.2 -1,-0.4 -0.987 61.6-169.9-148.5 145.8 23.1 20.3 24.5 74 76 A V E -De 31 104B 0 29,-1.8 31,-1.9 -2,-0.3 2,-0.4 -0.993 6.7-168.6-140.6 138.4 23.8 16.5 24.1 75 77 A Y E -D 30 0B 31 -45,-3.1 -45,-2.4 -2,-0.3 2,-0.4 -0.961 6.8-169.5-131.5 115.3 26.4 14.1 25.5 76 78 A C E -D 29 0B 0 -2,-0.4 8,-2.2 29,-0.4 2,-0.3 -0.873 9.3-169.2-102.5 136.9 26.8 10.6 24.2 77 79 A V E -DF 28 83B 0 -49,-3.3 -49,-1.7 -2,-0.4 6,-0.2 -0.930 12.1-144.3-126.3 150.4 29.0 8.0 26.0 78 80 A D > - 0 0 24 4,-1.9 3,-1.1 -2,-0.3 -51,-0.1 -0.202 52.3 -73.7 -91.6-170.0 30.5 4.6 25.3 79 81 A G T 3 S+ 0 0 34 1,-0.2 -52,-0.1 -53,-0.2 -54,-0.0 0.707 133.3 48.7 -60.5 -24.6 30.9 1.7 27.7 80 82 A N T 3 S- 0 0 136 2,-0.1 -1,-0.2 0, 0.0 -68,-0.0 0.545 119.3-106.3 -89.7 -13.4 33.9 3.4 29.4 81 83 A G S < S+ 0 0 9 -3,-1.1 2,-0.2 1,-0.3 -2,-0.1 0.490 73.4 141.4 98.3 6.4 32.1 6.8 29.8 82 84 A D - 0 0 95 1,-0.1 -4,-1.9 -5,-0.0 -1,-0.3 -0.502 62.2 -92.0 -80.3 147.3 34.1 8.5 27.0 83 85 A S B -F 77 0B 17 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.297 43.0-158.7 -51.9 137.0 32.4 10.9 24.6 84 86 A L - 0 0 47 -8,-2.2 -8,-0.4 21,-0.2 21,-0.1 -0.972 14.9-122.8-123.3 139.1 31.2 9.2 21.5 85 87 A M - 0 0 30 -2,-0.4 2,-0.2 1,-0.1 21,-0.1 -0.588 31.6-112.4 -76.0 135.8 30.5 10.9 18.2 86 88 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.483 32.5-113.4 -67.6 142.1 27.0 10.6 16.8 87 89 A C >> - 0 0 15 -2,-0.2 4,-1.8 1,-0.1 3,-0.7 -0.278 37.0 -98.1 -62.4 158.5 26.7 8.5 13.6 88 90 A G H 3> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 243,-0.4 0.856 124.0 54.6 -50.6 -40.9 25.7 10.4 10.5 89 91 A R H 3> S+ 0 0 22 241,-0.4 4,-1.5 242,-0.3 242,-0.3 0.895 108.0 49.4 -62.5 -36.9 22.0 9.4 10.8 90 92 A C H <> S+ 0 0 0 -3,-0.7 4,-3.3 1,-0.2 -1,-0.2 0.834 104.6 59.0 -74.2 -27.9 21.9 10.7 14.4 91 93 A R H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.848 105.3 49.7 -62.2 -40.2 23.4 14.0 13.3 92 94 A Q H X S+ 0 0 16 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.839 112.6 46.8 -69.2 -36.5 20.5 14.4 11.0 93 95 A L H X S+ 0 0 4 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.926 113.7 48.1 -67.3 -44.7 18.0 13.6 13.8 94 96 A L H X>S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 5,-0.6 0.917 111.3 50.7 -63.4 -41.8 19.9 16.0 16.2 95 97 A Y H X5S+ 0 0 60 -4,-2.3 4,-2.6 1,-0.2 3,-0.4 0.957 107.5 53.1 -60.6 -50.6 19.8 18.7 13.5 96 98 A E H <5S+ 0 0 22 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.849 121.9 30.5 -51.4 -36.3 16.1 18.3 12.9 97 99 A H H <5S+ 0 0 0 -4,-1.6 -26,-2.2 -3,-0.1 -1,-0.2 0.529 134.2 26.5-108.8 -8.9 15.4 18.8 16.7 98 100 A G H <5S- 0 0 13 -4,-2.3 3,-0.4 -3,-0.4 -3,-0.2 0.526 92.0-149.9-122.8 -22.3 18.2 21.1 17.8 99 101 A G ><< - 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