==== 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 16-JUN-09 3HVM . COMPND 2 MOLECULE: AGMATINE DEIMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR J.JONES,L.LOVELACE,L.LEBIODA,P.THOMPSON . 330 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 9.7 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 1 0.3 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 . 27 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 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 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 0 167 0, 0.0 92,-1.4 0, 0.0 93,-0.3 0.000 360.0 360.0 360.0 82.3 -24.6 -20.0 -17.1 2 2 A K E -A 92 0A 45 90,-0.2 2,-0.3 91,-0.1 90,-0.2 -0.668 360.0-176.6-100.5 154.4 -22.7 -16.8 -16.2 3 3 A R E -A 91 0A 61 88,-1.8 88,-2.2 -2,-0.2 2,-0.6 -0.989 28.5-124.4-149.1 140.5 -20.8 -14.5 -18.6 4 4 A M E -A 90 0A 22 177,-0.8 144,-0.4 -2,-0.3 146,-0.2 -0.742 39.8-121.1 -82.4 119.9 -18.6 -11.4 -18.2 5 5 A L - 0 0 9 84,-1.1 141,-0.2 -2,-0.6 84,-0.2 -0.377 25.6-120.8 -63.1 145.1 -20.1 -8.7 -20.4 6 6 A A > - 0 0 1 141,-0.2 3,-1.3 1,-0.1 141,-0.1 -0.443 14.7-120.8 -84.3 157.2 -17.8 -7.3 -23.1 7 7 A E T 3 S+ 0 0 12 139,-0.5 272,-0.4 1,-0.3 -1,-0.1 0.821 110.7 65.6 -69.4 -30.5 -16.9 -3.7 -23.2 8 8 A F T 3 S+ 0 0 70 270,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.379 86.0 95.1 -72.2 1.5 -18.3 -3.5 -26.8 9 9 A E S < S- 0 0 51 -3,-1.3 270,-0.5 1,-0.1 2,-0.5 -0.342 98.2 -66.4 -83.1 175.6 -21.9 -4.2 -25.4 10 10 A K - 0 0 187 -2,-0.1 2,-0.4 268,-0.1 -1,-0.1 -0.556 56.4-154.6 -66.4 116.1 -24.4 -1.6 -24.5 11 11 A I - 0 0 6 -2,-0.5 319,-0.2 1,-0.1 37,-0.1 -0.785 17.4-166.1-100.1 135.7 -23.1 0.4 -21.6 12 12 A Q S S- 0 0 101 317,-2.7 36,-0.9 -2,-0.4 2,-0.3 0.834 72.4 -12.4 -85.1 -43.5 -25.4 2.3 -19.1 13 13 A A E -dE 48 329B 7 316,-2.1 316,-4.0 34,-0.2 2,-0.6 -0.985 56.1-127.3-155.0 164.4 -22.7 4.4 -17.4 14 14 A I E -dE 49 328B 0 34,-2.4 36,-2.5 -2,-0.3 2,-0.4 -0.973 25.5-143.5-119.5 120.4 -18.9 4.8 -17.1 15 15 A L E +dE 50 327B 1 312,-3.5 312,-1.8 -2,-0.6 2,-0.2 -0.700 30.5 160.2 -84.6 133.2 -17.7 4.9 -13.5 16 16 A M E -d 51 0B 1 34,-2.6 36,-2.3 -2,-0.4 2,-0.3 -0.757 31.4-136.2-136.9-178.5 -14.7 7.3 -12.8 17 17 A A E -d 52 0B 0 63,-0.4 36,-0.2 308,-0.3 65,-0.1 -0.884 24.5-126.0-151.7 119.4 -13.0 9.1 -9.9 18 18 A F - 0 0 1 34,-2.6 36,-0.3 -2,-0.3 59,-0.1 -0.237 29.2-106.0 -69.9 142.2 -11.9 12.8 -10.1 19 19 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.449 46.3 176.8 -64.2 147.3 -8.3 13.7 -9.3 20 20 A H - 0 0 1 33,-0.1 6,-0.4 57,-0.0 3,-0.3 -0.882 43.1-103.0-141.9 174.8 -8.0 15.5 -5.9 21 21 A E S S+ 0 0 107 -2,-0.3 2,-0.6 1,-0.2 5,-0.1 0.601 101.8 83.2 -85.2 -6.4 -5.2 16.8 -3.8 22 22 A F S S+ 0 0 93 55,-0.1 2,-0.3 3,-0.1 -1,-0.2 -0.140 97.9 39.4 -83.2 40.0 -5.1 13.8 -1.3 23 23 A S S > S- 0 0 21 -2,-0.6 3,-1.6 -3,-0.3 4,-0.2 -0.919 110.9 -67.8-167.3-179.7 -2.9 11.9 -3.7 24 24 A D G > S+ 0 0 78 54,-0.3 3,-1.2 1,-0.3 55,-0.1 0.692 117.8 75.8 -63.8 -20.0 0.0 12.2 -6.2 25 25 A W G > S+ 0 0 0 -5,-0.2 3,-1.7 1,-0.2 -1,-0.3 0.813 74.9 83.8 -63.0 -23.2 -2.2 14.3 -8.5 26 26 A A G X S+ 0 0 38 -3,-1.6 3,-1.1 -6,-0.4 -1,-0.2 0.830 78.1 63.9 -36.2 -46.6 -1.5 17.1 -5.9 27 27 A Y G < S+ 0 0 208 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.234 126.6 11.3 -76.6 19.0 1.9 18.0 -7.6 28 28 A C G <> S+ 0 0 35 -3,-1.7 4,-2.2 2,-0.0 3,-0.3 0.059 80.3 149.2-179.3 37.9 -0.0 19.1 -10.8 29 29 A I H <> + 0 0 20 -3,-1.1 4,-3.1 1,-0.2 5,-0.1 0.821 69.4 56.5 -57.8 -37.0 -3.7 19.2 -9.7 30 30 A K H > S+ 0 0 166 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.917 111.8 41.6 -64.2 -46.4 -4.7 22.1 -12.0 31 31 A E H > S+ 0 0 76 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.880 115.2 52.0 -60.7 -43.0 -3.6 20.2 -15.2 32 32 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -7,-0.2 5,-0.3 0.947 108.3 50.7 -61.1 -50.6 -5.0 17.0 -13.8 33 33 A R H X S+ 0 0 31 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.921 110.9 50.8 -49.3 -55.9 -8.4 18.7 -13.2 34 34 A E H X S+ 0 0 123 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.899 110.8 45.2 -42.6 -57.2 -8.4 20.0 -16.8 35 35 A S H X S+ 0 0 13 -4,-2.4 4,-3.4 2,-0.2 5,-0.2 0.940 114.1 48.6 -66.1 -45.0 -7.7 16.6 -18.5 36 36 A F H X S+ 0 0 0 -4,-2.2 4,-3.5 1,-0.2 -1,-0.2 0.902 111.6 50.2 -62.2 -40.3 -10.2 14.7 -16.5 37 37 A L H X S+ 0 0 18 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.903 113.2 46.1 -62.1 -41.1 -12.8 17.4 -17.2 38 38 A N H X S+ 0 0 76 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.905 115.9 45.6 -67.1 -45.2 -12.0 17.2 -20.9 39 39 A I H X S+ 0 0 0 -4,-3.4 4,-2.3 2,-0.2 5,-0.2 0.941 112.5 51.8 -58.7 -53.4 -12.1 13.3 -20.7 40 40 A I H X S+ 0 0 0 -4,-3.5 4,-2.5 2,-0.2 -2,-0.2 0.922 112.0 44.9 -50.3 -54.2 -15.3 13.4 -18.7 41 41 A Q H X S+ 0 0 96 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.923 111.1 53.9 -63.5 -42.3 -17.1 15.7 -21.2 42 42 A T H < S+ 0 0 15 -4,-2.2 3,-0.5 -5,-0.2 -1,-0.2 0.925 114.6 41.5 -52.0 -43.3 -15.9 13.7 -24.2 43 43 A I H >X S+ 0 0 1 -4,-2.3 3,-2.4 1,-0.2 4,-1.6 0.873 102.3 66.7 -79.8 -36.2 -17.3 10.4 -22.7 44 44 A A H 3< S+ 0 0 23 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.698 89.5 67.3 -62.4 -18.2 -20.6 11.9 -21.4 45 45 A K T 3< S+ 0 0 160 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.573 115.2 28.2 -69.5 -11.0 -21.7 12.5 -25.1 46 46 A H T <4 S+ 0 0 25 -3,-2.4 234,-0.3 1,-0.5 2,-0.3 0.530 133.8 8.2-128.8 -22.4 -21.8 8.6 -25.5 47 47 A A S < S- 0 0 10 -4,-1.6 -1,-0.5 232,-0.1 -34,-0.2 -0.949 82.2 -95.6-158.1 148.7 -22.6 7.3 -21.9 48 48 A K E -d 13 0B 141 -36,-0.9 -34,-2.4 -2,-0.3 2,-0.5 -0.480 40.1-136.5 -61.2 141.0 -23.6 8.8 -18.6 49 49 A V E -df 14 70B 2 20,-2.5 22,-3.0 -36,-0.2 2,-0.6 -0.914 14.2-165.4-103.3 126.5 -20.6 9.4 -16.3 50 50 A L E -df 15 71B 8 -36,-2.5 -34,-2.6 -2,-0.5 2,-0.5 -0.965 19.8-168.3-107.0 115.9 -20.8 8.5 -12.6 51 51 A V E -df 16 72B 0 20,-2.9 22,-3.2 -2,-0.6 2,-0.4 -0.909 19.5-138.2-112.4 127.1 -17.8 10.2 -10.9 52 52 A C E -df 17 73B 0 -36,-2.3 -34,-2.6 -2,-0.5 2,-0.4 -0.680 21.6-169.8 -73.2 132.7 -16.4 9.6 -7.4 53 53 A V E - f 0 74B 0 20,-2.5 22,-0.8 -2,-0.4 -33,-0.1 -0.999 31.8-108.6-125.7 121.3 -15.4 13.0 -5.8 54 54 A H > - 0 0 16 -2,-0.4 3,-3.0 -36,-0.3 22,-0.2 -0.273 30.0-116.4 -47.0 130.3 -13.5 12.8 -2.6 55 55 A T T 3 S+ 0 0 64 1,-0.3 -1,-0.1 19,-0.1 19,-0.1 0.712 116.7 43.4 -39.6 -25.2 -15.7 13.9 0.3 56 56 A N T 3 S+ 0 0 111 1,-0.1 2,-1.2 2,-0.0 -1,-0.3 0.144 82.9 106.6-110.6 12.8 -13.4 16.9 0.9 57 57 A D <> + 0 0 5 -3,-3.0 4,-1.8 1,-0.2 5,-0.1 -0.680 33.7 160.4 -96.6 80.9 -12.9 17.9 -2.8 58 58 A T H > S+ 0 0 92 -2,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.910 72.8 53.4 -61.5 -46.4 -15.0 21.1 -2.9 59 59 A I H > S+ 0 0 88 1,-0.2 4,-2.7 -3,-0.2 -1,-0.2 0.924 111.4 43.7 -58.9 -48.9 -13.2 22.4 -6.0 60 60 A G H > S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.839 108.8 58.4 -67.6 -36.9 -13.9 19.2 -8.0 61 61 A Y H >X S+ 0 0 81 -4,-1.8 4,-1.9 2,-0.2 3,-0.7 0.940 110.8 43.9 -51.4 -50.6 -17.4 19.0 -6.7 62 62 A E H 3X S+ 0 0 105 -4,-2.3 4,-0.6 1,-0.2 3,-0.4 0.944 108.3 56.0 -62.3 -50.0 -18.0 22.5 -8.2 63 63 A M H 3< S+ 0 0 56 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.718 121.1 30.5 -57.0 -19.0 -16.2 21.8 -11.5 64 64 A L H X< S+ 0 0 2 -4,-1.0 3,-1.4 -3,-0.7 -1,-0.2 0.600 92.0 86.7-118.5 -18.0 -18.6 18.8 -12.0 65 65 A K H 3< S+ 0 0 105 -4,-1.9 -2,-0.1 -3,-0.4 -3,-0.1 0.705 96.9 42.0 -65.1 -19.5 -22.0 19.5 -10.4 66 66 A N T 3< S+ 0 0 134 -4,-0.6 -1,-0.3 2,-0.1 -2,-0.1 0.080 83.3 119.9-115.0 22.9 -23.4 21.4 -13.5 67 67 A L X - 0 0 30 -3,-1.4 3,-1.4 3,-0.1 -3,-0.0 -0.789 66.4-121.2 -92.6 118.2 -22.1 19.0 -16.2 68 68 A P T 3 S+ 0 0 117 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.275 95.2 16.2 -58.0 139.6 -24.9 17.4 -18.3 69 69 A G T 3 S+ 0 0 42 1,-0.2 -20,-2.5 -21,-0.1 2,-0.4 0.665 102.1 116.1 73.4 18.1 -24.9 13.6 -18.2 70 70 A V E < -f 49 0B 28 -3,-1.4 2,-0.4 -22,-0.2 -1,-0.2 -0.976 43.2-170.9-121.3 128.9 -22.7 13.5 -15.1 71 71 A E E -f 50 0B 112 -22,-3.0 -20,-2.9 -2,-0.4 2,-0.5 -0.973 16.3-140.5-117.2 138.8 -23.7 12.2 -11.7 72 72 A I E -f 51 0B 27 -2,-0.4 2,-0.5 -22,-0.2 -20,-0.2 -0.842 10.9-165.5-107.4 134.7 -21.5 12.7 -8.7 73 73 A A E -f 52 0B 0 -22,-3.2 -20,-2.5 -2,-0.5 2,-1.5 -0.969 20.4-138.0-114.3 121.0 -20.8 10.2 -6.0 74 74 A K E +f 53 0B 80 -2,-0.5 2,-0.4 -22,-0.2 -20,-0.2 -0.599 52.6 138.6 -78.9 89.9 -19.2 11.5 -2.8 75 75 A V - 0 0 2 -2,-1.5 2,-0.2 -22,-0.8 -2,-0.1 -0.999 50.3-125.3-140.6 128.2 -16.7 8.7 -2.2 76 76 A D - 0 0 34 -2,-0.4 2,-0.3 -22,-0.2 41,-0.1 -0.506 31.0-179.2 -78.0 143.3 -13.0 9.0 -1.1 77 77 A T - 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