==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-JUN-04 1TMI . COMPND 2 MOLECULE: S-ADENOSYLMETHIONINE DECARBOXYLASE PROENZYME, . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR A.V.TOMS,C.KINSLAND,D.E.MCCLOSKEY,A.E.PEGG,S.E.EALICK . 234 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10149.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 86.3 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 . 90 38.5 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 . 2 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 . 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 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 20.9 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 2 0 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 0 0 2 4 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 A K 0 0 92 0, 0.0 113,-2.9 0, 0.0 114,-0.4 0.000 360.0 360.0 360.0 -41.8 49.9 -2.0 23.9 2 3 A S E -A 113 0A 23 111,-0.3 111,-0.3 112,-0.1 110,-0.2 -0.986 360.0-116.9-151.7 158.6 48.5 1.5 24.0 3 4 A L E S+ 0 0 24 109,-2.0 80,-0.8 108,-0.5 2,-0.3 0.886 96.0 8.5 -64.6 -39.2 49.6 5.2 23.6 4 5 A G E -AB 111 82A 1 107,-2.6 107,-2.0 78,-0.2 2,-0.4 -0.943 60.6-134.4-143.9 164.5 48.7 6.0 27.1 5 6 A R E -AB 110 81A 88 76,-2.9 76,-3.2 -2,-0.3 2,-0.5 -0.972 23.6-167.1-118.5 132.0 47.7 4.6 30.5 6 7 A H E -AB 109 80A 0 103,-2.8 103,-3.1 -2,-0.4 2,-0.6 -0.957 8.1-162.5-128.8 118.9 44.9 6.4 32.4 7 8 A L E -AB 108 79A 0 72,-3.0 72,-2.6 -2,-0.5 2,-0.8 -0.861 2.3-164.6-100.1 121.9 43.9 5.8 36.0 8 9 A V E -AB 107 78A 6 99,-2.7 99,-2.3 -2,-0.6 2,-0.4 -0.920 25.2-174.6-103.8 108.6 40.4 7.1 37.0 9 10 A A E -AB 106 77A 0 68,-3.1 68,-2.4 -2,-0.8 2,-0.5 -0.876 28.1-158.9-120.1 145.3 40.5 7.1 40.8 10 11 A E E -AB 105 76A 13 95,-2.8 95,-1.7 -2,-0.4 2,-0.5 -0.969 14.4-162.0-113.9 122.1 38.2 7.8 43.7 11 12 A F E -AB 104 75A 0 64,-2.4 64,-1.8 -2,-0.5 2,-0.3 -0.946 11.4-171.2-109.1 123.0 39.9 8.7 47.0 12 13 A Y E +A 103 0A 8 91,-3.2 90,-2.0 -2,-0.5 91,-1.3 -0.805 59.3 15.7-114.7 155.1 37.7 8.4 50.1 13 14 A E S S+ 0 0 89 59,-0.5 -1,-0.2 -2,-0.3 89,-0.2 0.917 82.6 168.0 52.3 50.4 38.3 9.4 53.8 14 15 A C - 0 0 7 59,-2.6 2,-0.9 -3,-0.3 86,-0.2 -0.399 51.0 -82.8 -87.5 170.2 41.1 11.8 52.9 15 16 A D >> - 0 0 48 84,-3.1 4,-2.0 1,-0.2 3,-0.5 -0.635 41.9-156.9 -72.2 106.1 42.7 14.4 55.2 16 17 A R H 3> S+ 0 0 128 -2,-0.9 4,-0.9 1,-0.2 -1,-0.2 0.712 89.2 59.3 -61.4 -23.0 40.1 17.2 54.7 17 18 A E H 34 S+ 0 0 156 2,-0.2 3,-0.3 1,-0.2 -1,-0.2 0.913 108.7 45.6 -70.9 -41.3 42.6 19.8 55.8 18 19 A V H X4 S+ 0 0 13 -3,-0.5 3,-1.8 1,-0.2 7,-0.2 0.907 108.2 55.6 -66.3 -43.2 44.8 18.7 52.9 19 20 A L H 3< S+ 0 0 0 -4,-2.0 34,-0.6 1,-0.3 -1,-0.2 0.751 110.0 47.4 -61.6 -24.6 42.0 18.6 50.4 20 21 A D T 3< S+ 0 0 56 -4,-0.9 2,-0.8 -3,-0.3 -1,-0.3 0.290 91.2 92.3-100.9 8.9 41.2 22.2 51.2 21 22 A N <> - 0 0 48 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 -0.837 51.5-175.8-107.1 96.7 44.8 23.4 51.0 22 23 A V H > S+ 0 0 28 -2,-0.8 4,-2.1 1,-0.2 5,-0.2 0.847 83.1 50.9 -62.8 -35.1 45.4 24.6 47.4 23 24 A Q H > S+ 0 0 128 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.886 114.3 44.4 -70.8 -36.5 49.1 25.3 47.9 24 25 A L H > S+ 0 0 43 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.886 111.8 52.6 -73.6 -39.2 49.7 21.9 49.4 25 26 A I H X S+ 0 0 1 -4,-2.7 4,-2.3 -7,-0.2 5,-0.2 0.936 109.5 48.5 -62.6 -46.1 47.6 20.1 46.7 26 27 A E H X S+ 0 0 52 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.898 112.0 51.1 -60.4 -39.5 49.5 21.7 43.9 27 28 A Q H X S+ 0 0 117 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.949 111.8 44.9 -61.9 -51.6 52.8 20.7 45.6 28 29 A E H X S+ 0 0 31 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.829 112.1 52.9 -65.1 -32.9 51.8 17.1 46.0 29 30 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.908 110.7 46.2 -69.3 -42.3 50.4 16.9 42.4 30 31 A K H X S+ 0 0 88 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.884 112.1 52.2 -66.4 -37.0 53.7 18.2 41.0 31 32 A Q H X S+ 0 0 76 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.903 108.5 51.2 -64.4 -40.7 55.6 15.8 43.2 32 33 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.908 107.4 51.9 -63.2 -42.6 53.5 12.9 41.9 33 34 A A H <>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 4,-0.4 0.869 110.8 49.5 -61.9 -35.7 54.2 13.9 38.3 34 35 A Y H ><5S+ 0 0 169 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.913 107.6 53.4 -68.1 -44.0 57.9 13.8 39.2 35 36 A E H 3<5S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.851 106.9 52.4 -59.4 -36.9 57.6 10.4 40.8 36 37 A S T 3<5S- 0 0 4 -4,-2.0 51,-1.6 -5,-0.1 -1,-0.3 0.606 114.6-119.4 -76.2 -11.0 56.0 9.1 37.6 37 38 A G T < 5 + 0 0 50 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.623 62.1 151.8 81.8 13.1 58.9 10.4 35.7 38 39 A A < - 0 0 15 -5,-2.1 2,-0.5 -6,-0.2 -1,-0.2 -0.373 47.2-122.3 -77.4 156.8 56.6 12.6 33.6 39 40 A T - 0 0 91 -2,-0.1 21,-1.4 21,-0.1 2,-0.3 -0.890 26.3-132.6-100.6 123.4 57.6 15.9 32.1 40 41 A I E +C 59 0A 71 -2,-0.5 19,-0.3 19,-0.2 3,-0.1 -0.595 27.0 175.1 -81.2 134.2 55.5 18.9 33.2 41 42 A V E - 0 0 62 17,-3.4 2,-0.3 1,-0.5 18,-0.2 0.840 67.7 -20.3 -98.6 -55.5 54.2 21.2 30.6 42 43 A T E -C 58 0A 39 16,-1.2 16,-2.0 120,-0.1 -1,-0.5 -0.955 54.1-151.3-150.8 164.8 52.0 23.6 32.7 43 44 A S E +C 57 0A 38 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.957 13.2 175.6-147.4 123.6 50.3 23.6 36.1 44 45 A T E +C 56 0A 37 12,-2.3 12,-2.1 -2,-0.3 2,-0.4 -0.973 6.3 170.0-135.7 120.4 47.2 25.5 37.1 45 46 A F E +C 55 0A 27 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.966 2.9 169.5-129.5 144.1 45.5 25.2 40.5 46 47 A H E -C 54 0A 26 8,-2.9 8,-2.7 -2,-0.4 2,-0.4 -0.988 21.9-157.5-151.9 161.4 42.8 27.1 42.2 47 48 A R E -C 53 0A 86 -2,-0.3 2,-0.8 6,-0.2 6,-0.2 -0.918 9.1-166.9-141.6 109.6 40.4 27.2 45.1 48 49 A F > - 0 0 108 4,-0.6 3,-3.1 -2,-0.4 -2,-0.0 -0.873 31.9-120.2-107.0 104.9 37.2 29.2 44.9 49 50 A L T 3 S+ 0 0 145 -2,-0.8 -1,-0.1 1,-0.3 0, 0.0 0.457 108.2 59.5 -4.3 -55.5 35.6 29.6 48.4 50 51 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.646 117.2 30.0 -64.9 -7.4 32.3 27.9 47.7 51 52 A Y S < S- 0 0 99 -3,-3.1 18,-0.1 1,-0.3 2,-0.1 -0.336 83.1-103.3-126.7-153.7 34.2 24.8 46.7 52 53 A G - 0 0 4 16,-0.4 -4,-0.6 -2,-0.1 2,-0.4 0.045 62.7 -48.5-111.5-136.0 37.4 22.8 47.4 53 54 A V E -C 47 0A 0 -34,-0.6 15,-3.0 -6,-0.2 2,-0.4 -0.843 45.3-175.1-111.3 143.6 40.5 22.6 45.2 54 55 A S E +CD 46 67A 9 -8,-2.7 -8,-2.9 -2,-0.4 2,-0.3 -0.993 17.0 151.1-133.6 141.0 40.7 22.0 41.5 55 56 A G E -CD 45 66A 3 11,-2.1 11,-2.2 -2,-0.4 2,-0.4 -0.990 26.5-155.1-167.8 157.2 43.9 21.6 39.5 56 57 A V E -CD 44 65A 2 -12,-2.1 -12,-2.3 -2,-0.3 2,-0.6 -1.000 5.6-161.4-141.3 136.8 45.7 20.1 36.5 57 58 A V E -CD 43 64A 0 7,-3.1 7,-2.3 -2,-0.4 2,-0.4 -0.963 22.1-151.5-115.2 105.5 49.3 19.3 35.8 58 59 A V E +CD 42 63A 4 -16,-2.0 -17,-3.4 -2,-0.6 -16,-1.2 -0.682 21.2 179.6 -79.6 129.7 49.5 19.0 32.1 59 60 A I E > -CD 40 62A 2 3,-1.9 3,-2.1 -2,-0.4 -19,-0.2 -0.690 45.0 -48.7-122.0 178.2 52.3 16.6 31.1 60 61 A S T 3 S- 0 0 44 -21,-1.4 22,-0.4 1,-0.3 3,-0.1 -0.298 121.0 -26.3 -53.1 115.2 53.7 15.3 27.8 61 62 A E T 3 S+ 0 0 45 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.656 135.8 54.4 51.7 21.7 50.7 14.2 25.7 62 63 A A E < -D 59 0A 0 -3,-2.1 -3,-1.9 20,-0.1 2,-0.3 -0.829 68.0-132.7-157.8-165.1 48.8 13.6 29.0 63 64 A H E -DE 58 80A 1 17,-1.2 17,-3.1 -5,-0.3 2,-0.5 -0.992 10.8-146.1-165.7 156.0 47.6 15.0 32.3 64 65 A L E +DE 57 79A 0 -7,-2.3 -7,-3.1 -2,-0.3 2,-0.3 -0.996 32.4 178.2-124.2 119.3 47.2 14.6 36.0 65 66 A T E -DE 56 78A 0 13,-2.4 13,-2.5 -2,-0.5 2,-0.3 -0.902 11.0-175.5-125.5 155.7 44.0 16.2 37.4 66 67 A I E -DE 55 77A 0 -11,-2.2 -11,-2.1 -2,-0.3 2,-0.4 -0.987 8.9-176.6-151.0 139.1 42.3 16.5 40.8 67 68 A H E -DE 54 76A 3 9,-1.7 9,-3.0 -2,-0.3 2,-0.3 -0.982 20.0-157.8-135.8 119.3 39.1 17.9 42.1 68 69 A T E - E 0 75A 4 -15,-3.0 -16,-0.4 -2,-0.4 7,-0.2 -0.781 20.2-166.2-107.9 149.1 38.5 17.8 45.9 69 70 A W E >>> - E 0 74A 10 5,-3.1 3,-2.3 -2,-0.3 5,-1.6 -0.788 10.1-176.6-127.1 81.3 35.4 17.9 48.1 70 71 A P G >45S+ 0 0 15 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.850 79.5 63.5 -47.2 -42.2 36.8 18.6 51.6 71 72 A E G 345S+ 0 0 91 1,-0.3 -55,-0.0 -3,-0.1 -51,-0.0 0.687 114.0 32.7 -60.8 -19.0 33.4 18.4 53.1 72 73 A Y G <45S- 0 0 97 -3,-2.3 -59,-0.5 2,-0.2 -1,-0.3 0.377 104.5-122.8-115.8 -1.1 33.2 14.7 52.1 73 74 A G T <<5S+ 0 0 0 -3,-1.0 -59,-2.6 -4,-0.8 2,-0.3 0.757 70.9 135.9 62.6 23.1 36.9 13.9 52.4 74 75 A Y E < - E 0 69A 0 -5,-1.6 -5,-3.1 -62,-0.2 2,-0.4 -0.776 36.3-174.0-107.8 147.5 36.6 12.9 48.8 75 76 A A E -BE 11 68A 0 -64,-1.8 -64,-2.4 -2,-0.3 2,-0.7 -0.996 17.5-147.1-141.4 134.3 38.9 13.6 45.8 76 77 A A E -BE 10 67A 0 -9,-3.0 -9,-1.7 -2,-0.4 2,-0.4 -0.904 29.3-177.0 -99.8 112.0 38.4 12.8 42.1 77 78 A I E -BE 9 66A 0 -68,-2.4 -68,-3.1 -2,-0.7 2,-0.4 -0.910 15.7-170.7-117.8 139.1 41.8 12.0 40.6 78 79 A D E -BE 8 65A 0 -13,-2.5 -13,-2.4 -2,-0.4 2,-0.6 -0.996 1.2-172.7-128.2 126.7 42.8 11.3 37.1 79 80 A L E +BE 7 64A 0 -72,-2.6 -72,-3.0 -2,-0.4 2,-0.6 -0.882 11.6 172.5-122.7 96.6 46.3 10.1 36.2 80 81 A F E +BE 6 63A 1 -17,-3.1 -17,-1.2 -2,-0.6 2,-0.3 -0.925 8.3 170.8-107.1 117.9 46.8 10.0 32.5 81 82 A T E -B 5 0A 1 -76,-3.2 -76,-2.9 -2,-0.6 2,-0.4 -0.937 20.0-154.2-129.6 154.6 50.3 9.2 31.3 82 83 A C E +B 4 0A 13 -22,-0.4 -78,-0.2 -2,-0.3 -79,-0.1 -0.993 55.5 47.3-130.0 131.0 52.0 8.4 27.9 83 84 A G S > S- 0 0 42 -80,-0.8 3,-1.7 -2,-0.4 -78,-0.1 0.015 77.8-106.6 114.9 137.1 55.2 6.5 27.4 84 85 A E T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.1 -80,-0.0 0.672 120.2 60.9 -66.1 -15.3 56.6 3.3 28.8 85 86 A D T 3 S+ 0 0 153 -3,-0.1 2,-0.5 1,-0.1 -1,-0.3 0.484 92.1 73.6 -89.6 -6.5 58.9 5.5 30.9 86 87 A V < - 0 0 20 -3,-1.7 -49,-0.2 -47,-0.0 -50,-0.1 -0.955 66.3-163.4-114.0 120.2 56.1 7.3 32.7 87 88 A D >> - 0 0 44 -51,-1.6 3,-1.4 -2,-0.5 4,-0.9 -0.887 11.6-164.5-108.5 109.4 54.2 5.2 35.4 88 89 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.822 88.3 65.7 -57.9 -32.7 50.8 6.5 36.6 89 90 A W H 3> S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.750 93.2 58.1 -65.1 -24.3 51.0 4.2 39.6 90 91 A K H <> S+ 0 0 112 -3,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.898 108.2 47.0 -71.2 -38.5 54.0 6.1 41.0 91 92 A A H X S+ 0 0 0 -4,-0.9 4,-2.5 -3,-0.3 5,-0.2 0.912 110.2 53.9 -66.5 -42.0 51.8 9.2 41.0 92 93 A F H X S+ 0 0 22 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.920 107.4 50.5 -56.4 -47.5 49.0 7.3 42.6 93 94 A E H X S+ 0 0 107 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.917 111.3 46.4 -59.5 -47.9 51.2 6.1 45.5 94 95 A H H X S+ 0 0 36 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.928 116.1 45.6 -61.7 -46.1 52.5 9.5 46.3 95 96 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.895 108.9 54.9 -64.8 -41.2 49.0 11.0 46.2 96 97 A K H <>S+ 0 0 68 -4,-3.0 5,-1.5 -5,-0.2 4,-0.5 0.892 114.9 41.6 -59.1 -39.1 47.5 8.2 48.2 97 98 A K H <5S+ 0 0 52 -4,-1.9 3,-0.5 -5,-0.2 -2,-0.2 0.925 114.0 50.7 -74.0 -45.7 50.1 8.9 50.9 98 99 A A H <5S+ 0 0 16 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.814 116.7 39.3 -63.1 -35.4 49.9 12.7 50.8 99 100 A L T <5S- 0 0 1 -4,-2.5 -84,-3.1 -5,-0.2 -1,-0.2 0.505 102.4-131.1 -93.5 -6.4 46.1 12.8 51.1 100 101 A K T 5 - 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