==== 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 3IWC . COMPND 2 MOLECULE: S-ADENOSYLMETHIONINE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.BALE,B.KAVITA,S.E.EALICK . 237 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 84.4 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 . 87 36.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.8 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 . 28 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.0 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 0 0 0 0 0 0 0 2 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 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 0 158 0, 0.0 113,-2.1 0, 0.0 114,-0.4 0.000 360.0 360.0 360.0 -37.2 102.6 32.6 -26.6 2 3 B S E -A 113 0A 19 111,-0.3 81,-0.3 112,-0.1 111,-0.3 -0.979 360.0-111.7-155.9 161.7 101.2 29.0 -26.5 3 4 B L E S+ 0 0 20 109,-2.2 80,-0.9 108,-0.6 2,-0.3 0.871 97.8 12.6 -66.0 -37.5 102.2 25.4 -26.1 4 5 B G E -AB 111 82A 0 107,-2.5 107,-1.7 78,-0.2 2,-0.4 -0.929 58.8-139.1-141.7 165.5 101.3 24.6 -29.6 5 6 B R E -AB 110 81A 49 76,-2.8 76,-2.6 -2,-0.3 2,-0.4 -0.991 24.8-169.3-121.9 128.9 100.4 26.0 -33.1 6 7 B H E -AB 109 80A 0 103,-2.7 103,-3.2 -2,-0.4 2,-0.6 -0.961 10.0-162.1-130.7 118.2 97.6 24.2 -35.0 7 8 B L E -AB 108 79A 0 72,-2.9 72,-2.5 -2,-0.4 2,-0.7 -0.861 3.6-163.0 -98.7 121.6 96.6 24.7 -38.6 8 9 B V E -AB 107 78A 5 99,-2.8 99,-2.4 -2,-0.6 2,-0.4 -0.930 24.9-170.5-104.2 108.4 93.2 23.4 -39.5 9 10 B A E -AB 106 77A 0 68,-3.3 68,-2.5 -2,-0.7 2,-0.6 -0.867 27.8-159.7-116.7 140.4 93.3 23.2 -43.3 10 11 B E E -AB 105 76A 11 95,-2.9 95,-1.7 -2,-0.4 2,-0.6 -0.955 15.8-163.3-109.3 118.2 90.9 22.6 -46.1 11 12 B F E -AB 104 75A 0 64,-2.7 64,-2.2 -2,-0.6 2,-0.3 -0.930 11.5-171.1-106.4 122.8 92.6 21.6 -49.4 12 13 B Y E +A 103 0A 11 91,-3.0 90,-1.7 -2,-0.6 91,-1.3 -0.807 56.9 14.3-115.0 155.0 90.5 21.9 -52.5 13 14 B E S S+ 0 0 97 59,-0.5 -1,-0.2 -2,-0.3 61,-0.2 0.854 81.6 168.5 54.5 43.4 90.9 20.8 -56.2 14 15 B C - 0 0 9 59,-2.5 2,-0.9 -3,-0.2 86,-0.2 -0.242 51.2 -81.0 -79.6 169.9 93.8 18.4 -55.4 15 16 B D > - 0 0 49 84,-2.9 4,-2.0 1,-0.2 3,-0.3 -0.636 44.0-153.9 -71.4 108.1 95.3 15.8 -57.7 16 17 B R H > S+ 0 0 132 -2,-0.9 4,-1.0 1,-0.2 -1,-0.2 0.766 89.8 56.7 -60.0 -27.9 92.7 13.1 -57.2 17 18 B E H >4 S+ 0 0 156 2,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.931 107.8 48.4 -69.6 -43.0 95.2 10.3 -58.0 18 19 B V H >4 S+ 0 0 15 -3,-0.3 3,-1.8 1,-0.2 7,-0.2 0.918 106.6 57.0 -61.5 -43.3 97.5 11.5 -55.3 19 20 B L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.785 108.8 46.6 -59.6 -27.9 94.6 11.7 -52.8 20 21 B D T << S+ 0 0 40 -4,-1.0 2,-0.7 -3,-0.5 -1,-0.3 0.184 89.7 96.0-101.0 17.3 93.8 8.0 -53.3 21 22 B N <> - 0 0 68 -3,-1.8 4,-2.5 1,-0.2 5,-0.2 -0.842 49.2-175.6-111.0 94.2 97.4 6.8 -53.1 22 23 B V H > S+ 0 0 30 -2,-0.7 4,-1.7 1,-0.2 5,-0.2 0.804 84.0 53.8 -59.5 -30.7 98.0 5.6 -49.5 23 24 B Q H > S+ 0 0 141 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.935 112.1 42.2 -69.0 -49.0 101.7 4.9 -50.3 24 25 B L H > S+ 0 0 42 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.879 112.1 55.0 -66.7 -40.2 102.4 8.4 -51.6 25 26 B I H X S+ 0 0 1 -4,-2.5 4,-2.4 -7,-0.2 5,-0.2 0.912 107.8 47.9 -61.3 -44.0 100.4 10.1 -48.9 26 27 B E H X S+ 0 0 54 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.925 113.1 50.4 -62.7 -40.8 102.4 8.4 -46.1 27 28 B Q H X S+ 0 0 109 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.924 113.4 43.5 -59.9 -52.0 105.6 9.4 -47.9 28 29 B E H X S+ 0 0 29 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.812 112.1 53.4 -68.2 -31.1 104.5 13.1 -48.3 29 30 B M H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.905 109.6 47.2 -71.4 -40.5 103.2 13.3 -44.7 30 31 B K H X S+ 0 0 88 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.906 112.1 51.2 -66.0 -39.1 106.5 12.0 -43.2 31 32 B Q H X S+ 0 0 64 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.907 107.9 51.9 -63.6 -41.3 108.3 14.5 -45.4 32 33 B A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.885 107.7 52.3 -63.0 -37.2 106.1 17.3 -44.2 33 34 B A H X>S+ 0 0 0 -4,-1.9 5,-1.5 1,-0.2 4,-0.7 0.929 111.2 48.1 -63.2 -42.2 106.9 16.3 -40.7 34 35 B Y H ><5S+ 0 0 171 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.929 108.3 52.6 -62.5 -47.8 110.6 16.5 -41.6 35 36 B E H 3<5S+ 0 0 89 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.815 106.9 54.4 -59.4 -31.2 110.2 19.9 -43.3 36 37 B S H 3<5S- 0 0 5 -4,-1.7 51,-2.0 -5,-0.2 -1,-0.3 0.677 112.9-118.9 -77.4 -18.3 108.6 21.3 -40.1 37 38 B G T <<5 + 0 0 47 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.1 0.497 65.4 142.9 92.1 4.8 111.5 20.2 -38.0 38 39 B A < - 0 0 11 -5,-1.5 2,-0.4 -6,-0.2 -1,-0.3 -0.412 52.4-120.7 -79.3 154.1 109.3 17.9 -35.9 39 40 B T E -C 60 0A 71 21,-3.5 21,-2.2 -2,-0.1 2,-0.5 -0.790 26.2-128.2 -93.4 135.0 110.4 14.5 -34.6 40 41 B I E +C 59 0A 70 -2,-0.4 19,-0.2 19,-0.2 3,-0.1 -0.735 30.4 172.3 -87.4 129.8 108.3 11.6 -35.8 41 42 B V E - 0 0 42 17,-3.2 2,-0.3 -2,-0.5 18,-0.2 0.828 65.4 -17.1 -99.1 -52.1 107.0 9.3 -33.0 42 43 B T E -C 58 0A 42 16,-1.7 16,-1.8 123,-0.1 -1,-0.4 -0.969 54.3-155.1-153.1 166.2 104.7 7.1 -34.9 43 44 B S E +C 57 0A 31 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.985 11.6 172.1-150.3 133.6 102.8 6.8 -38.2 44 45 B T E -C 56 0A 41 12,-2.1 12,-2.0 -2,-0.3 2,-0.4 -0.951 5.1-177.1-148.1 124.4 99.7 5.0 -39.3 45 46 B F E -C 55 0A 31 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.974 7.0-160.7-126.9 135.6 97.8 5.2 -42.6 46 47 B H E -C 54 0A 68 8,-2.9 8,-2.4 -2,-0.4 2,-0.6 -0.920 9.7-145.7-117.6 138.5 94.6 3.4 -43.7 47 48 B R E -C 53 0A 93 -2,-0.4 2,-0.2 6,-0.2 6,-0.2 -0.901 18.8-155.8-105.6 117.0 93.3 2.9 -47.2 48 49 B F - 0 0 12 4,-2.0 4,-0.0 -2,-0.6 -2,-0.0 -0.609 22.2 -93.5 -92.4 151.8 89.5 3.0 -47.6 49 50 B L S S+ 0 0 129 -2,-0.2 4,-0.0 1,-0.2 -2,-0.0 -0.888 100.3 7.9-114.0 146.2 87.5 1.4 -50.3 50 51 B P S S- 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.968 137.7 -31.5 -70.1 -22.7 86.4 2.2 -52.9 51 52 B Y S S+ 0 0 93 17,-0.0 2,-0.1 -4,-0.0 -31,-0.1 -0.965 83.6 90.3-152.5 164.9 88.5 5.3 -52.4 52 53 B G - 0 0 0 -2,-0.3 -4,-2.0 -33,-0.0 2,-0.3 -0.239 42.3-137.6 121.2 150.0 89.8 7.5 -49.6 53 54 B V E -CD 47 68A 0 15,-0.7 15,-2.8 -6,-0.2 2,-0.4 -0.984 10.6-171.3-146.5 131.5 92.8 7.7 -47.3 54 55 B S E +CD 46 67A 1 -8,-2.4 -8,-2.9 -2,-0.3 2,-0.3 -0.945 17.4 163.7-119.8 142.3 93.3 8.4 -43.6 55 56 B G E -CD 45 66A 2 11,-2.1 11,-2.3 -2,-0.4 2,-0.4 -0.983 18.1-168.3-161.3 148.1 96.6 9.0 -42.0 56 57 B V E -CD 44 65A 2 -12,-2.0 -12,-2.1 -2,-0.3 2,-0.6 -0.998 7.4-165.7-141.9 137.3 98.3 10.3 -38.9 57 58 B V E -CD 43 64A 0 7,-2.6 7,-2.2 -2,-0.4 2,-0.5 -0.965 17.3-151.5-120.7 108.6 101.9 11.2 -37.9 58 59 B V E -C 42 0A 2 -16,-1.8 -17,-3.2 -2,-0.6 -16,-1.7 -0.723 28.4-178.0 -80.7 125.4 102.2 11.6 -34.2 59 60 B I E -C 40 0A 1 -2,-0.5 2,-0.3 -19,-0.2 -19,-0.2 -0.659 18.0-166.5-120.8 173.3 105.1 14.0 -33.6 60 61 B S E C 39 0A 10 -21,-2.2 -21,-3.5 -2,-0.2 23,-0.0 -0.925 360.0 360.0-143.0 172.0 107.2 15.7 -31.0 61 62 B E 0 0 111 179,-0.8 -21,-0.1 -2,-0.3 24,-0.0 0.624 360.0 360.0 -44.4 360.0 109.7 18.5 -30.4 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 0 0, 0.0 17,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.2 100.1 15.3 -34.7 64 65 A L E +DE 57 79A 0 -7,-2.2 -7,-2.6 15,-0.2 2,-0.3 -0.994 360.0 179.1-106.7 122.6 100.0 15.8 -38.5 65 66 A T E -DE 56 78A 0 13,-2.6 13,-2.4 -2,-0.4 2,-0.3 -0.925 15.8-176.0-129.3 153.6 96.7 14.3 -39.9 66 67 A I E -DE 55 77A 0 -11,-2.3 -11,-2.1 -2,-0.3 2,-0.4 -0.995 6.7-177.5-147.2 137.1 95.1 13.9 -43.3 67 68 A H E -DE 54 76A 3 9,-1.7 9,-2.9 -2,-0.3 2,-0.3 -0.981 19.6-158.6-134.8 117.7 91.7 12.6 -44.5 68 69 A T E -DE 53 75A 0 -15,-2.8 -15,-0.7 -2,-0.4 7,-0.2 -0.756 22.0-168.3-106.4 149.3 91.1 12.5 -48.2 69 70 A W E >>> - E 0 74A 11 5,-2.9 3,-2.7 -2,-0.3 5,-1.6 -0.767 11.7-178.7-129.4 78.1 88.0 12.4 -50.3 70 71 A P T 345S+ 0 0 9 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.777 79.0 64.9 -50.5 -31.7 89.4 11.6 -53.8 71 72 A E T 345S+ 0 0 42 1,-0.2 -55,-0.0 -3,-0.1 -3,-0.0 0.647 113.3 32.7 -70.1 -13.3 86.0 11.8 -55.3 72 73 A Y T <45S- 0 0 99 -3,-2.7 -59,-0.5 2,-0.2 -1,-0.2 0.387 104.9-121.4-119.9 -1.4 85.8 15.4 -54.4 73 74 A G T <5S+ 0 0 0 -4,-0.8 -59,-2.5 -3,-0.4 2,-0.3 0.762 71.8 135.6 63.7 24.7 89.4 16.4 -54.8 74 75 A Y E < - E 0 69A 1 -5,-1.6 -5,-2.9 -62,-0.2 2,-0.4 -0.824 36.2-175.3-111.0 143.3 89.2 17.4 -51.2 75 76 A A E -BE 11 68A 0 -64,-2.2 -64,-2.7 -2,-0.3 2,-0.7 -0.997 16.6-148.9-138.8 132.6 91.6 16.8 -48.2 76 77 A A E -BE 10 67A 0 -9,-2.9 -9,-1.7 -2,-0.4 2,-0.4 -0.903 27.4-176.5-100.8 113.6 91.1 17.7 -44.5 77 78 A I E -BE 9 66A 0 -68,-2.5 -68,-3.3 -2,-0.7 2,-0.5 -0.929 15.0-170.2-119.0 134.1 94.6 18.4 -43.1 78 79 A D E -BE 8 65A 0 -13,-2.4 -13,-2.6 -2,-0.4 2,-0.6 -0.987 1.5-172.8-123.6 126.8 95.6 19.2 -39.5 79 80 A L E +BE 7 64A 0 -72,-2.5 -72,-2.9 -2,-0.5 2,-0.6 -0.894 11.8 172.2-121.5 98.6 99.1 20.4 -38.7 80 81 A F E +B 6 0A 0 -17,-2.4 2,-0.3 -2,-0.6 -74,-0.2 -0.916 8.4 167.0-113.5 106.0 99.5 20.6 -34.9 81 82 A T E -B 5 0A 1 -76,-2.6 -76,-2.8 -2,-0.6 2,-0.4 -0.790 21.7-148.4-117.8 160.7 103.1 21.3 -33.7 82 83 A C E +B 4 0A 3 -2,-0.3 -78,-0.2 -78,-0.3 -79,-0.1 -0.991 55.9 39.8-130.9 137.7 104.6 22.3 -30.4 83 84 A G S > S- 0 0 17 -80,-0.9 3,-2.1 -2,-0.4 -78,-0.1 0.273 79.4-100.0 100.0 134.0 107.7 24.4 -29.7 84 85 A E T 3 S+ 0 0 128 1,-0.3 -1,-0.1 3,-0.1 -80,-0.0 0.776 119.0 59.7 -54.1 -31.5 109.1 27.5 -31.4 85 86 A D T 3 S+ 0 0 153 -3,-0.1 2,-0.5 -48,-0.0 -1,-0.3 0.509 92.0 76.7 -79.8 -4.9 111.6 25.5 -33.4 86 87 A V < - 0 0 4 -3,-2.1 -49,-0.2 -49,-0.0 -5,-0.1 -0.939 66.4-162.8-109.6 122.9 108.9 23.5 -35.1 87 88 A D >> - 0 0 48 -51,-2.0 3,-1.1 -2,-0.5 4,-0.9 -0.896 12.7-167.5-109.3 111.8 107.0 25.3 -37.9 88 89 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.800 83.6 71.2 -68.9 -21.5 103.7 23.9 -39.1 89 90 A W H 3> S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.755 92.6 52.9 -67.4 -20.6 103.8 26.2 -42.1 90 91 A K H <> S+ 0 0 109 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.840 107.8 52.5 -79.5 -35.3 106.6 24.3 -43.9 91 92 A A H X S+ 0 0 0 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.960 112.0 47.4 -60.2 -44.4 104.5 21.1 -43.4 92 93 A F H X S+ 0 0 22 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.942 110.4 51.2 -57.5 -51.0 101.7 23.1 -45.1 93 94 A E H X S+ 0 0 111 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.892 111.2 47.5 -55.8 -43.3 104.0 24.3 -47.8 94 95 A H H X S+ 0 0 34 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.899 114.9 45.5 -66.8 -41.5 105.2 20.7 -48.6 95 96 A L H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.924 107.2 55.2 -70.1 -43.4 101.6 19.3 -48.7 96 97 A K H X>S+ 0 0 77 -4,-2.9 5,-1.1 1,-0.2 4,-0.9 0.939 115.4 43.5 -54.0 -43.1 100.0 22.0 -50.8 97 98 A K H <5S+ 0 0 152 -4,-1.6 3,-0.4 -5,-0.3 -2,-0.2 0.946 114.5 46.7 -65.9 -51.8 102.8 21.2 -53.3 98 99 A A H <5S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.812 120.0 38.7 -62.1 -34.9 102.6 17.4 -53.1 99 100 A L H <5S- 0 0 1 -4,-2.9 -84,-2.9 -5,-0.1 -1,-0.2 0.525 100.2-135.9 -95.0 -7.5 98.8 17.3 -53.4 100 101 A K T <5 - 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