==== 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 3IWB . COMPND 2 MOLECULE: S-ADENOSYLMETHIONINE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.BALE,B.KAVITA,S.E.EALICK . 228 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 86.4 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 . 81 35.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 30 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.5 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 0 2 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 1 1 4 0 2 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 0 179 0, 0.0 111,-1.8 0, 0.0 112,-0.4 0.000 360.0 360.0 360.0 26.4 -23.5 104.6 25.3 2 3 B S E -A 111 0A 17 109,-0.3 109,-0.3 110,-0.1 79,-0.3 -0.958 360.0-119.0-159.3 144.9 -25.6 101.4 25.6 3 4 B L E S+ 0 0 23 107,-2.7 78,-0.7 -2,-0.3 2,-0.3 0.850 94.2 12.5 -56.3 -35.6 -29.3 100.6 25.2 4 5 B G E -AB 109 80A 0 105,-2.9 105,-2.0 76,-0.2 2,-0.5 -0.923 60.4-134.0-144.4 167.5 -29.5 99.5 28.8 5 6 B R E -AB 108 79A 44 74,-1.8 74,-3.4 -2,-0.3 2,-0.5 -0.988 25.0-170.5-123.5 123.3 -27.8 99.4 32.2 6 7 B H E -AB 107 78A 0 101,-2.8 101,-4.2 -2,-0.5 2,-0.5 -0.954 9.4-163.1-124.6 122.2 -27.9 96.1 34.2 7 8 B L E -AB 106 77A 0 70,-2.3 70,-2.1 -2,-0.5 2,-0.7 -0.889 4.4-161.5-103.5 124.4 -26.9 95.5 37.8 8 9 B V E -AB 105 76A 5 97,-3.5 97,-2.9 -2,-0.5 2,-0.4 -0.937 24.7-169.8-104.3 115.0 -26.2 91.9 38.7 9 10 B A E -AB 104 75A 1 66,-3.3 66,-2.6 -2,-0.7 2,-0.6 -0.923 28.2-161.2-124.8 135.3 -26.4 91.9 42.5 10 11 B E E -AB 103 74A 7 93,-2.9 93,-1.7 -2,-0.4 2,-0.5 -0.929 16.3-165.3-104.5 114.0 -25.6 89.5 45.4 11 12 B F E -AB 102 73A 0 62,-2.5 62,-2.1 -2,-0.6 2,-0.3 -0.913 11.9-170.3-102.9 124.3 -27.5 90.5 48.6 12 13 B Y E +A 101 0A 8 89,-3.1 88,-1.7 -2,-0.5 89,-1.2 -0.812 56.3 12.3-117.6 155.6 -26.2 88.8 51.7 13 14 B E S S+ 0 0 87 57,-0.5 -1,-0.2 -2,-0.3 59,-0.2 0.870 81.4 169.7 49.9 46.0 -27.3 88.6 55.3 14 15 B C - 0 0 8 57,-2.9 2,-0.8 -3,-0.2 84,-0.2 -0.207 50.6 -80.1 -77.4 172.1 -30.7 90.0 54.5 15 16 B D > - 0 0 56 82,-2.5 4,-1.9 1,-0.2 3,-0.2 -0.700 44.1-150.7 -75.2 112.9 -33.6 90.0 57.0 16 17 B R H > S+ 0 0 127 -2,-0.8 4,-0.7 1,-0.2 -1,-0.2 0.719 90.1 57.0 -62.1 -25.4 -34.8 86.4 56.5 17 18 B E H >4 S+ 0 0 154 2,-0.2 3,-0.9 1,-0.2 -1,-0.2 0.948 107.7 47.7 -71.1 -46.8 -38.5 87.2 57.3 18 19 B V H >4 S+ 0 0 14 1,-0.3 3,-2.1 2,-0.2 7,-0.3 0.920 106.4 58.2 -57.3 -45.4 -38.7 89.8 54.5 19 20 B L H 3< S+ 0 0 0 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.750 109.5 45.2 -58.0 -25.0 -37.0 87.4 52.1 20 21 B D T << S+ 0 0 41 -3,-0.9 2,-0.7 -4,-0.7 -1,-0.3 0.223 90.2 95.5-105.8 15.8 -39.8 84.9 52.7 21 22 B N <> - 0 0 74 -3,-2.1 4,-2.5 1,-0.2 3,-0.2 -0.863 52.0-172.1-109.3 98.8 -42.7 87.4 52.5 22 23 B V H > S+ 0 0 44 -2,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.837 83.9 49.3 -60.6 -37.4 -44.1 87.3 48.9 23 24 B Q H > S+ 0 0 145 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.838 113.4 46.8 -73.2 -31.9 -46.4 90.3 49.3 24 25 B L H > S+ 0 0 43 -3,-0.2 4,-3.5 2,-0.2 5,-0.2 0.898 110.1 52.3 -75.7 -40.8 -43.7 92.5 50.9 25 26 B I H X S+ 0 0 1 -4,-2.5 4,-3.5 -7,-0.3 5,-0.3 0.945 112.5 45.7 -59.5 -45.3 -41.1 91.5 48.2 26 27 B E H X S+ 0 0 55 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.925 112.4 52.0 -62.9 -42.0 -43.6 92.5 45.6 27 28 B Q H X S+ 0 0 115 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.947 115.6 40.8 -58.5 -48.7 -44.4 95.7 47.5 28 29 B E H X S+ 0 0 26 -4,-3.5 4,-2.7 2,-0.2 -2,-0.2 0.888 113.1 51.8 -69.3 -41.7 -40.7 96.5 47.7 29 30 B M H X S+ 0 0 1 -4,-3.5 4,-1.9 -5,-0.2 -1,-0.2 0.932 110.6 49.9 -62.3 -43.4 -39.8 95.5 44.1 30 31 B K H X S+ 0 0 67 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.871 111.0 49.8 -63.2 -33.6 -42.7 97.7 42.8 31 32 B Q H X S+ 0 0 62 -4,-1.5 4,-2.9 -5,-0.2 5,-0.3 0.938 106.9 53.8 -69.0 -45.3 -41.4 100.6 44.9 32 33 B A H X S+ 0 0 1 -4,-2.7 4,-1.4 1,-0.3 -1,-0.2 0.870 106.4 54.2 -55.5 -37.0 -37.9 100.2 43.6 33 34 B A H X>S+ 0 0 0 -4,-1.9 5,-0.8 2,-0.2 4,-0.8 0.943 108.7 48.2 -63.4 -45.2 -39.4 100.4 40.2 34 35 B Y H ><5S+ 0 0 135 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.941 108.6 53.9 -58.9 -49.3 -41.0 103.7 41.2 35 36 B E H 3<5S+ 0 0 98 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.749 109.6 48.9 -57.8 -30.5 -37.8 105.1 42.6 36 37 B S H 3<5S- 0 0 5 -4,-1.4 49,-1.2 -3,-0.4 -1,-0.3 0.621 111.2-120.6 -81.2 -17.8 -36.1 104.4 39.4 37 38 B G T <<5 + 0 0 51 -3,-1.6 -3,-0.2 -4,-0.8 -2,-0.1 0.141 58.2 153.9 96.7 -18.0 -38.7 106.0 37.2 38 39 B A < - 0 0 11 -5,-0.8 2,-0.7 -6,-0.2 -1,-0.3 -0.094 46.1-127.8 -50.9 138.2 -39.4 102.8 35.4 39 40 B T - 0 0 109 1,-0.0 2,-0.2 2,-0.0 -1,-0.1 -0.855 28.1-129.5 -92.9 110.8 -42.8 102.3 33.8 40 41 B I + 0 0 59 -2,-0.7 19,-0.2 19,-0.2 3,-0.1 -0.411 29.1 177.4 -69.6 126.3 -44.1 99.0 35.0 41 42 B V - 0 0 53 17,-3.3 2,-0.3 1,-0.4 18,-0.2 0.851 67.5 -24.3 -93.4 -49.2 -45.3 96.7 32.2 42 43 B T E -C 58 0A 36 16,-1.3 16,-2.8 118,-0.1 -1,-0.4 -0.982 54.4-151.7-162.1 157.0 -46.2 93.7 34.3 43 44 B S E +C 57 0A 28 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.998 12.7 175.3-140.1 134.9 -45.4 92.1 37.6 44 45 B T E -C 56 0A 27 12,-2.5 12,-2.3 -2,-0.4 2,-0.4 -0.972 4.2-178.2-144.9 127.1 -45.5 88.5 38.8 45 46 B F E -C 55 0A 26 -2,-0.4 2,-0.4 10,-0.2 10,-0.3 -0.967 6.1-160.8-129.8 143.3 -44.4 86.9 42.1 46 47 B H E -C 54 0A 50 8,-3.6 8,-2.0 -2,-0.4 2,-0.7 -0.952 13.7-146.9-129.9 143.0 -44.3 83.4 43.4 47 48 B R E -C 53 0A 89 -2,-0.4 2,-0.3 6,-0.2 6,-0.2 -0.903 22.5-164.9-105.8 108.3 -44.1 81.7 46.8 48 49 B F - 0 0 148 4,-2.0 -2,-0.0 -2,-0.7 0, 0.0 -0.660 28.1 -82.8 -93.2 150.0 -42.1 78.5 46.7 49 50 B L S S- 0 0 122 -2,-0.3 4,-0.0 1,-0.2 2,-0.0 -0.841 98.5 -0.3-110.9 147.6 -42.2 75.9 49.5 50 51 B P S S- 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.954 134.6 -11.5 -77.3 -23.4 -40.9 75.5 52.0 51 52 B Y S S+ 0 0 132 15,-0.0 -31,-0.1 -4,-0.0 2,-0.1 -0.940 87.2 68.8-135.8 158.1 -38.9 78.7 51.5 52 53 B G - 0 0 5 -2,-0.3 -4,-2.0 -33,-0.1 2,-0.4 -0.067 43.9-138.7 114.4 146.3 -38.1 81.2 48.7 53 54 B V E -C 47 0A 2 13,-0.5 13,-2.5 -6,-0.2 2,-0.5 -0.989 9.7-167.3-142.1 128.0 -39.7 83.9 46.6 54 55 B S E +CD 46 65A 30 -8,-2.0 -8,-3.6 -2,-0.4 2,-0.3 -0.963 19.5 163.3-116.0 132.4 -39.2 84.5 42.9 55 56 B G E -CD 45 64A 2 9,-2.6 9,-2.5 -2,-0.5 2,-0.4 -0.998 16.3-172.4-152.1 146.6 -40.5 87.7 41.4 56 57 B V E -CD 44 63A 3 -12,-2.3 -12,-2.5 -2,-0.3 2,-0.5 -1.000 10.0-162.0-142.7 139.0 -40.1 89.8 38.3 57 58 B V E -CD 43 62A 0 5,-3.3 5,-2.7 -2,-0.4 2,-0.6 -0.983 18.6-146.3-119.0 115.8 -41.2 93.3 37.3 58 59 B V E C 42 0A 2 -16,-2.8 -17,-3.3 -2,-0.5 -16,-1.3 -0.749 360.0 360.0 -84.7 124.0 -41.0 93.8 33.5 59 60 B I 0 0 28 -2,-0.6 -19,-0.2 -19,-0.2 -21,-0.0 -0.681 360.0 360.0-120.8 360.0 -40.2 97.4 32.8 60 !* 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 61 64 A H 0 0 7 0, 0.0 17,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 158.6 -36.5 94.2 33.8 62 65 A L E +DE 57 77A 1 -5,-2.7 -5,-3.3 15,-0.2 2,-0.3 -0.990 360.0 177.0-127.2 121.8 -36.2 93.9 37.6 63 66 A T E -DE 56 76A 0 13,-2.5 13,-2.3 -2,-0.4 2,-0.3 -0.923 15.1-174.5-130.1 154.5 -35.9 90.5 39.3 64 67 A I E -DE 55 75A 0 -9,-2.5 -9,-2.6 -2,-0.3 2,-0.4 -0.994 3.9-178.9-147.3 136.7 -35.4 88.9 42.7 65 68 A H E -DE 54 74A 17 9,-1.4 9,-2.9 -2,-0.3 2,-0.3 -0.960 20.9-157.4-136.3 113.7 -34.9 85.3 43.8 66 69 A T E - E 0 73A 6 -13,-2.5 -13,-0.5 -2,-0.4 7,-0.2 -0.676 22.5-168.1-102.9 153.7 -34.6 84.7 47.5 67 70 A W E >>> - E 0 72A 44 5,-3.1 3,-2.6 -2,-0.3 5,-1.8 -0.755 10.1-179.3-133.0 78.0 -33.1 82.0 49.7 68 71 A P G >45S+ 0 0 8 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.855 80.4 64.2 -47.3 -43.0 -34.4 82.8 53.2 69 72 A E G 345S+ 0 0 62 1,-0.3 -53,-0.0 2,-0.1 -3,-0.0 0.687 114.9 32.0 -59.1 -17.7 -32.5 79.8 54.6 70 73 A Y G <45S- 0 0 99 -3,-2.6 -57,-0.5 2,-0.2 -1,-0.3 0.405 103.9-122.8-118.1 -1.7 -29.3 81.7 53.5 71 74 A G T <<5S+ 0 0 0 -3,-0.9 -57,-2.9 -4,-0.8 2,-0.3 0.756 71.1 137.6 63.2 21.8 -30.4 85.3 54.0 72 75 A Y E < - E 0 67A 0 -5,-1.8 -5,-3.1 -60,-0.2 2,-0.4 -0.785 35.8-176.5-107.1 144.8 -29.4 85.6 50.4 73 76 A A E -BE 11 66A 0 -62,-2.1 -62,-2.5 -2,-0.3 2,-0.8 -0.991 18.0-147.5-140.8 128.8 -31.2 87.3 47.4 74 77 A A E -BE 10 65A 0 -9,-2.9 -9,-1.4 -2,-0.4 2,-0.4 -0.874 28.3-173.8 -96.6 111.5 -30.1 87.3 43.8 75 78 A I E -BE 9 64A 0 -66,-2.6 -66,-3.3 -2,-0.8 2,-0.4 -0.875 14.4-172.2-113.2 140.7 -31.2 90.7 42.4 76 79 A D E -BE 8 63A 0 -13,-2.3 -13,-2.5 -2,-0.4 2,-0.6 -0.990 4.5-175.2-132.7 123.3 -31.1 92.0 38.8 77 80 A L E +BE 7 62A 0 -70,-2.1 -70,-2.3 -2,-0.4 2,-0.7 -0.852 11.5 172.6-121.9 93.7 -31.9 95.6 37.9 78 81 A F E +B 6 0A 2 -17,-3.2 -72,-0.3 -2,-0.6 2,-0.2 -0.897 11.8 174.0-108.0 109.6 -31.8 95.9 34.1 79 82 A T E -B 5 0A 0 -74,-3.4 -74,-1.8 -2,-0.7 2,-0.3 -0.632 20.4-151.4-112.8 169.0 -33.0 99.3 33.0 80 83 A C E +B 4 0A 58 -76,-0.3 -76,-0.2 -2,-0.2 3,-0.1 -0.962 54.5 36.4-145.6 125.2 -33.2 101.2 29.7 81 84 A G S > S- 0 0 36 -78,-0.7 3,-1.4 -2,-0.3 -76,-0.1 -0.011 78.2 -97.9 112.3 144.4 -33.0 104.9 29.0 82 85 A E T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.1 -78,-0.0 0.649 119.6 56.2 -67.3 -16.8 -31.1 107.9 30.5 83 86 A D T 3 S+ 0 0 162 -3,-0.1 2,-0.6 1,-0.1 -1,-0.3 0.444 93.3 79.3 -95.2 0.1 -34.0 108.9 32.7 84 87 A V < - 0 0 21 -3,-1.4 -47,-0.2 -47,-0.1 -48,-0.1 -0.937 63.3-166.6-111.4 115.8 -34.2 105.5 34.4 85 88 A D >> - 0 0 60 -49,-1.2 3,-1.4 -2,-0.6 4,-0.9 -0.873 11.7-167.0-107.7 108.5 -31.6 104.9 37.1 86 89 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.745 85.4 69.7 -63.2 -21.4 -31.2 101.2 38.3 87 90 A W H 3> S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.767 92.2 55.9 -69.5 -25.0 -29.2 102.5 41.3 88 91 A K H <> S+ 0 0 111 -3,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.881 107.0 51.0 -70.8 -37.5 -32.2 104.0 42.9 89 92 A A H X S+ 0 0 0 -4,-0.9 4,-2.0 1,-0.2 -2,-0.2 0.919 110.2 50.4 -63.3 -42.2 -33.8 100.6 42.7 90 93 A F H X S+ 0 0 23 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.904 108.8 51.0 -62.0 -44.0 -30.7 99.2 44.3 91 94 A E H X S+ 0 0 104 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.922 111.0 47.3 -63.2 -44.7 -30.8 101.7 47.1 92 95 A H H X S+ 0 0 31 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.892 115.7 45.5 -65.0 -38.2 -34.5 101.1 48.0 93 96 A L H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.915 107.3 55.3 -72.8 -42.3 -34.0 97.3 47.9 94 97 A K H <>S+ 0 0 71 -4,-2.8 5,-1.4 2,-0.2 4,-0.5 0.900 116.4 41.2 -54.8 -39.5 -30.7 97.2 50.0 95 98 A K H ><5S+ 0 0 141 -4,-1.5 3,-1.1 -5,-0.2 -2,-0.2 0.973 114.5 48.3 -70.4 -59.4 -32.7 99.1 52.7 96 99 A A H 3<5S+ 0 0 8 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.821 120.1 39.3 -51.7 -39.0 -36.0 97.2 52.5 97 100 A L T 3<5S- 0 0 1 -4,-2.9 -82,-2.5 -5,-0.2 -1,-0.3 0.532 101.0-135.9 -91.2 -8.7 -34.2 93.9 52.6 98 101 A K T < 5 - 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