==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-SEP-09 3IWD . COMPND 2 MOLECULE: S-ADENOSYLMETHIONINE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.BALE,B.KAVITA,S.E.EALICK . 232 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 84.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 37.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 31 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 2 0 2 0 4 0 2 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 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 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 2 B K 0 0 181 0, 0.0 113,-2.0 0, 0.0 114,-0.4 0.000 360.0 360.0 360.0 -82.0 25.9 -11.6 24.5 2 3 B S E -A 113 0A 12 111,-0.3 111,-0.3 112,-0.1 81,-0.2 -0.976 360.0-115.3-151.1 159.3 29.6 -12.3 24.5 3 4 B L E S+ 0 0 16 109,-1.7 80,-1.5 108,-0.7 2,-0.3 0.863 97.5 9.2 -64.8 -35.5 32.1 -15.1 24.0 4 5 B G E -AB 111 82A 1 107,-2.5 107,-1.9 78,-0.2 2,-0.4 -0.944 61.5-133.6-146.2 165.2 33.2 -14.8 27.6 5 6 B R E -AB 110 81A 45 76,-2.7 76,-2.6 -2,-0.3 2,-0.5 -0.980 23.9-166.2-119.9 130.4 32.6 -13.2 31.0 6 7 B H E -AB 109 80A 0 103,-2.8 103,-3.1 -2,-0.4 2,-0.6 -0.938 8.9-162.8-128.3 114.7 35.5 -11.7 32.9 7 8 B L E -AB 108 79A 0 72,-3.0 72,-2.5 -2,-0.5 2,-0.8 -0.813 4.3-164.2 -94.3 118.0 35.5 -10.6 36.6 8 9 B V E -AB 107 78A 5 99,-3.1 99,-2.2 -2,-0.6 2,-0.4 -0.919 24.8-172.2-102.0 106.9 38.4 -8.3 37.5 9 10 B A E -AB 106 77A 1 68,-3.3 68,-2.3 -2,-0.8 2,-0.5 -0.829 29.0-160.0-115.1 145.4 38.5 -8.4 41.3 10 11 B E E -AB 105 76A 4 95,-2.6 95,-1.7 -2,-0.4 2,-0.5 -0.968 15.4-163.7-113.6 119.3 40.2 -6.7 44.1 11 12 B F E -AB 104 75A 0 64,-2.3 64,-1.9 -2,-0.5 2,-0.3 -0.953 11.9-168.9-106.8 127.1 40.2 -8.7 47.4 12 13 B Y E +A 103 0A 10 91,-3.1 90,-1.9 -2,-0.5 91,-1.2 -0.835 57.2 13.6-118.7 154.8 41.1 -6.7 50.5 13 14 B E S S+ 0 0 94 59,-0.5 -1,-0.2 -2,-0.3 61,-0.2 0.846 81.9 170.2 54.1 42.6 41.9 -7.6 54.1 14 15 B C - 0 0 8 59,-2.6 2,-1.0 -3,-0.2 86,-0.2 -0.203 49.8 -81.8 -76.9 169.5 42.5 -11.3 53.4 15 16 B D >> - 0 0 68 84,-2.9 4,-1.8 1,-0.2 3,-0.6 -0.665 43.6-152.4 -74.2 105.5 44.0 -13.9 55.7 16 17 B R H 3> S+ 0 0 130 -2,-1.0 4,-0.8 1,-0.2 -1,-0.2 0.685 89.4 57.0 -56.4 -25.2 47.6 -13.1 55.1 17 18 B E H >4 S+ 0 0 154 2,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.914 107.4 48.5 -73.3 -42.4 48.8 -16.7 55.9 18 19 B V H X4 S+ 0 0 17 -3,-0.6 3,-1.7 1,-0.2 7,-0.3 0.904 106.0 57.4 -63.0 -41.3 46.6 -18.1 53.2 19 20 B L H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.763 109.8 45.5 -62.1 -25.2 47.8 -15.5 50.6 20 21 B D T << S+ 0 0 51 -4,-0.8 2,-0.8 -3,-0.5 -1,-0.3 0.275 89.8 95.2-102.3 9.0 51.4 -16.7 51.2 21 22 B N <> - 0 0 56 -3,-1.7 4,-2.7 1,-0.2 5,-0.2 -0.836 50.6-175.5-105.3 95.5 50.6 -20.4 51.0 22 23 B V H > S+ 0 0 16 -2,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.839 82.7 51.7 -60.2 -36.6 51.3 -21.5 47.4 23 24 B Q H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 113.2 44.2 -66.9 -46.4 50.0 -25.1 48.0 24 25 B L H > S+ 0 0 45 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.924 112.2 52.4 -64.5 -45.4 46.7 -23.9 49.5 25 26 B I H X S+ 0 0 0 -4,-2.7 4,-2.6 -7,-0.3 5,-0.2 0.929 109.5 49.0 -57.5 -46.2 46.2 -21.3 46.8 26 27 B E H X S+ 0 0 57 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.936 111.9 49.9 -60.2 -44.1 46.7 -23.8 44.0 27 28 B Q H X S+ 0 0 121 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.910 114.0 44.1 -59.2 -46.8 44.2 -26.1 45.7 28 29 B E H X S+ 0 0 33 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.823 111.5 52.7 -70.0 -34.0 41.6 -23.4 46.1 29 30 B M H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.876 110.2 48.4 -69.7 -37.0 42.1 -22.1 42.6 30 31 B K H X S+ 0 0 86 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.873 111.9 49.9 -69.7 -36.0 41.6 -25.5 41.1 31 32 B Q H X S+ 0 0 77 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.900 108.8 51.6 -68.2 -41.6 38.4 -26.0 43.3 32 33 B A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 6,-0.2 0.909 108.6 51.6 -61.9 -40.9 37.1 -22.6 42.1 33 34 B A H X>S+ 0 0 0 -4,-1.9 5,-1.4 1,-0.2 4,-0.6 0.918 111.8 47.7 -61.3 -40.8 37.6 -23.7 38.5 34 35 B Y H ><5S+ 0 0 175 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.916 110.2 51.1 -66.1 -43.9 35.7 -26.9 39.4 35 36 B E H 3<5S+ 0 0 82 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.773 105.2 56.5 -65.2 -29.5 32.8 -25.0 41.1 36 37 B S H 3<5S- 0 0 4 -4,-1.8 51,-2.6 -5,-0.2 -1,-0.2 0.660 116.0-113.4 -76.6 -17.8 32.4 -22.7 38.1 37 38 B G T <<5 + 0 0 44 -3,-0.9 -3,-0.2 -4,-0.6 2,-0.1 0.418 69.9 139.5 97.8 2.5 31.9 -25.6 35.8 38 39 B A < - 0 0 10 -5,-1.4 2,-0.3 -6,-0.2 -1,-0.3 -0.415 52.5-121.2 -82.7 153.2 35.1 -25.1 33.8 39 40 B T E -C 60 0A 61 21,-3.3 21,-1.1 -2,-0.1 2,-0.6 -0.723 25.1-125.4 -91.9 140.2 37.5 -27.7 32.6 40 41 B I E +C 59 0A 74 -2,-0.3 19,-0.2 19,-0.2 3,-0.1 -0.796 32.8 169.4 -90.1 120.0 41.1 -27.4 33.8 41 42 B V E - 0 0 39 17,-2.9 2,-0.3 -2,-0.6 18,-0.2 0.879 65.8 -14.7 -92.6 -55.1 43.6 -27.3 30.9 42 43 B T E -C 58 0A 47 16,-1.3 16,-1.9 120,-0.1 -1,-0.4 -0.969 56.0-157.1-148.9 159.8 46.8 -26.4 32.7 43 44 B S E +C 57 0A 30 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.998 12.6 170.2-142.8 139.1 47.9 -25.0 36.1 44 45 B T E -C 56 0A 35 12,-2.0 12,-2.0 -2,-0.3 2,-0.4 -0.900 5.2-177.7-154.5 121.2 51.1 -23.2 37.3 45 46 B F E -C 55 0A 30 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.980 8.6-158.0-127.5 132.2 51.8 -21.5 40.6 46 47 B H E -C 54 0A 68 8,-2.6 8,-2.2 -2,-0.4 2,-0.7 -0.877 8.8-147.0-111.6 136.3 54.9 -19.5 41.6 47 48 B R E -C 53 0A 96 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.894 21.3-156.5-102.3 111.3 56.1 -18.8 45.2 48 49 B F - 0 0 51 4,-2.8 4,-0.2 -2,-0.7 0, 0.0 -0.553 21.4 -92.0 -86.9 156.2 57.8 -15.5 45.4 49 50 B L S S+ 0 0 150 1,-0.2 4,-0.0 -2,-0.2 -2,-0.0 -0.936 100.1 6.6-119.7 144.6 60.4 -14.4 48.1 50 51 B P S S- 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.990 138.2 -25.5 -73.7 -14.9 60.3 -13.1 50.7 51 52 B Y S S+ 0 0 121 17,-0.1 -2,-0.1 -4,-0.0 2,-0.1 -0.987 84.5 85.4-158.0 151.6 56.5 -13.3 50.2 52 53 B G - 0 0 4 -2,-0.3 -4,-2.8 -4,-0.2 2,-0.4 -0.250 42.0-137.0 128.4 145.6 53.9 -13.6 47.5 53 54 B V E -C 47 0A 1 15,-0.4 15,-2.4 -6,-0.2 2,-0.4 -0.996 11.2-171.6-138.5 126.8 52.1 -16.1 45.3 54 55 B S E +CD 46 67A 10 -8,-2.2 -8,-2.6 -2,-0.4 2,-0.3 -0.934 18.0 172.0-114.1 141.1 51.3 -15.8 41.5 55 56 B G E -CD 45 66A 0 11,-2.4 11,-2.1 -2,-0.4 2,-0.4 -0.990 18.6-170.3-155.8 148.3 49.0 -18.4 39.9 56 57 B V E -CD 44 65A 0 -12,-2.0 -12,-2.0 -2,-0.3 2,-0.5 -0.997 6.2-171.9-141.8 134.7 47.2 -19.3 36.7 57 58 B V E -CD 43 64A 0 7,-2.5 7,-2.0 -2,-0.4 2,-0.5 -0.967 18.8-151.0-124.8 105.2 44.7 -22.0 35.8 58 59 B V E +C 42 0A 4 -16,-1.9 -17,-2.9 -2,-0.5 -16,-1.3 -0.714 28.6 177.7 -77.2 125.2 44.0 -22.0 32.1 59 60 B I E +C 40 0A 11 -2,-0.5 2,-0.3 -19,-0.2 -19,-0.2 -0.582 16.2 167.2-121.0-175.5 40.4 -23.2 31.6 60 61 B S E C 39 0A 17 -21,-1.1 -21,-3.3 -2,-0.2 23,-0.0 -0.957 360.0 360.0 179.6 174.7 37.9 -23.9 28.9 61 62 B E 0 0 154 -2,-0.3 -21,-0.1 -23,-0.2 22,-0.1 0.553 360.0 360.0 27.3 360.0 34.5 -25.5 28.2 62 !* 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 63 64 A H 0 0 5 0, 0.0 17,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 157.1 41.7 -18.3 32.7 64 65 A L E -DE 57 79A 0 -7,-2.0 -7,-2.5 15,-0.2 2,-0.3 -0.999 360.0-179.8-127.2 121.3 41.6 -17.9 36.4 65 66 A T E -DE 56 78A 0 13,-2.5 13,-2.4 -2,-0.4 2,-0.3 -0.931 14.1-172.4-127.7 156.9 44.5 -15.9 37.9 66 67 A I E -DE 55 77A 0 -11,-2.1 -11,-2.4 -2,-0.3 2,-0.4 -0.998 5.8-179.1-147.3 136.7 45.6 -14.8 41.3 67 68 A H E -DE 54 76A 11 9,-1.5 9,-3.4 -2,-0.3 2,-0.3 -0.975 18.9-161.0-136.5 118.4 48.5 -12.5 42.5 68 69 A T E - E 0 75A 9 -15,-2.4 -15,-0.4 -2,-0.4 7,-0.2 -0.745 21.9-166.1-107.1 155.2 48.8 -12.0 46.2 69 70 A W E >>> - E 0 74A 41 5,-2.7 3,-1.7 -2,-0.3 5,-1.6 -0.769 9.3-176.7-134.6 79.1 50.6 -9.4 48.3 70 71 A P G >45S+ 0 0 9 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.819 80.3 65.1 -48.5 -33.5 50.6 -11.0 51.8 71 72 A E G 345S+ 0 0 49 1,-0.2 -55,-0.1 2,-0.1 -19,-0.0 0.814 114.2 29.2 -60.3 -36.3 52.2 -7.8 53.2 72 73 A Y G <45S- 0 0 103 -3,-1.7 -59,-0.5 2,-0.2 -1,-0.2 0.379 105.4-120.2-106.6 2.3 49.1 -5.8 52.4 73 74 A G T <<5S+ 0 0 0 -4,-0.9 -59,-2.6 -3,-0.5 2,-0.3 0.778 71.2 135.3 61.9 28.1 46.5 -8.6 52.7 74 75 A Y E < - E 0 69A 0 -5,-1.6 -5,-2.7 -62,-0.2 2,-0.4 -0.854 36.5-173.3-113.9 142.7 45.6 -7.9 49.1 75 76 A A E -BE 11 68A 0 -64,-1.9 -64,-2.3 -2,-0.3 2,-0.7 -0.999 16.9-146.4-136.6 131.1 45.0 -10.3 46.2 76 77 A A E -BE 10 67A 0 -9,-3.4 -9,-1.5 -2,-0.4 2,-0.4 -0.890 28.1-173.0 -97.3 111.7 44.4 -9.4 42.5 77 78 A I E -BE 9 66A 0 -68,-2.3 -68,-3.3 -2,-0.7 2,-0.4 -0.907 14.5-172.3-115.0 133.3 42.0 -11.9 41.2 78 79 A D E -BE 8 65A 0 -13,-2.4 -13,-2.5 -2,-0.4 2,-0.5 -0.988 2.7-174.3-123.5 127.6 40.8 -12.5 37.6 79 80 A L E +BE 7 64A 0 -72,-2.5 -72,-3.0 -2,-0.4 2,-0.6 -0.882 11.3 171.4-124.8 96.2 38.0 -14.9 36.7 80 81 A F E +B 6 0A 1 -17,-2.9 2,-0.3 -2,-0.5 -74,-0.2 -0.928 8.6 170.9-110.4 107.4 37.7 -15.1 32.9 81 82 A T E -B 5 0A 1 -76,-2.6 -76,-2.7 -2,-0.6 2,-0.4 -0.842 19.9-144.6-118.0 155.5 35.3 -17.9 31.7 82 83 A C E +B 4 0A 43 -2,-0.3 -78,-0.2 -78,-0.2 -79,-0.1 -0.950 56.0 21.1-123.6 140.6 33.8 -18.8 28.3 83 84 A G S S- 0 0 40 -80,-1.5 3,-0.5 -2,-0.4 -78,-0.1 -0.124 83.6 -86.0 93.9 165.2 30.4 -20.2 27.4 84 85 A E S S+ 0 0 139 1,-0.2 -1,-0.1 -2,-0.1 -80,-0.0 0.805 117.8 60.7 -80.5 -31.5 27.0 -20.2 29.2 85 86 A D S S+ 0 0 158 -3,-0.1 2,-0.5 -48,-0.1 -1,-0.2 0.457 92.0 78.3 -77.2 -1.4 27.5 -23.3 31.3 86 87 A V - 0 0 4 -3,-0.5 -49,-0.2 -49,-0.0 -5,-0.1 -0.947 63.9-165.2-112.4 122.9 30.5 -21.8 33.1 87 88 A D >> - 0 0 54 -51,-2.6 3,-1.2 -2,-0.5 4,-0.8 -0.908 12.2-167.9-112.6 112.6 29.8 -19.3 35.9 88 89 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.786 85.5 69.5 -68.1 -25.0 32.8 -17.2 37.1 89 90 A W H 3> S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.747 93.1 57.1 -65.6 -22.4 30.7 -16.0 40.1 90 91 A K H <> S+ 0 0 108 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.917 107.7 47.7 -72.0 -40.5 30.9 -19.5 41.6 91 92 A A H X S+ 0 0 0 -4,-0.8 4,-2.4 1,-0.2 -2,-0.2 0.888 111.4 51.3 -64.4 -40.4 34.7 -19.3 41.5 92 93 A F H X S+ 0 0 19 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.912 108.8 50.9 -61.1 -47.9 34.4 -15.8 43.1 93 94 A E H X S+ 0 0 83 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.903 112.1 46.9 -58.7 -42.4 32.2 -17.2 45.9 94 95 A H H X S+ 0 0 30 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.904 115.2 44.3 -67.1 -43.6 34.7 -20.0 46.6 95 96 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 6,-0.3 0.875 108.6 56.1 -70.2 -39.3 37.8 -17.7 46.6 96 97 A K H X>S+ 0 0 61 -4,-2.7 5,-1.2 1,-0.2 4,-1.1 0.946 114.5 41.6 -56.2 -46.9 36.2 -15.0 48.7 97 98 A K H <5S+ 0 0 107 -4,-1.6 3,-0.2 -5,-0.2 -2,-0.2 0.922 115.3 49.1 -66.0 -47.1 35.5 -17.6 51.4 98 99 A A H <5S+ 0 0 17 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.833 117.5 40.0 -62.9 -37.4 38.8 -19.4 51.0 99 100 A L H <5S- 0 0 0 -4,-2.8 -84,-2.9 -5,-0.1 -1,-0.2 0.594 101.0-133.0 -88.2 -14.4 40.9 -16.2 51.3 100 101 A K T <5 - 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