==== 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 09-JUN-04 1TLU . 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) . 10462.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 86.8 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 . 30 12.8 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 . 52 22.2 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 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 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 94 0, 0.0 113,-2.8 0, 0.0 114,-0.4 0.000 360.0 360.0 360.0 8.7 49.9 -1.9 23.8 2 3 A S E -A 113 0A 20 111,-0.3 111,-0.3 112,-0.1 110,-0.2 -0.983 360.0-115.6-161.0 153.2 48.5 1.6 24.0 3 4 A L E S+ 0 0 21 109,-2.2 80,-0.7 108,-0.3 2,-0.3 0.858 96.1 8.3 -60.9 -34.7 49.6 5.2 23.7 4 5 A G E -AB 111 82A 2 107,-2.5 107,-1.7 78,-0.2 2,-0.5 -0.970 58.5-133.2-150.3 163.9 48.8 5.8 27.3 5 6 A R E -AB 110 81A 89 76,-2.6 76,-2.8 -2,-0.3 2,-0.5 -0.970 25.1-167.7-116.6 129.4 47.7 4.5 30.7 6 7 A H E -AB 109 80A 0 103,-3.0 103,-3.4 -2,-0.5 2,-0.6 -0.964 7.7-161.8-126.1 120.6 44.9 6.3 32.6 7 8 A L E -AB 108 79A 0 72,-2.3 72,-2.3 -2,-0.5 2,-0.8 -0.882 2.2-164.0-102.4 121.4 44.0 5.8 36.2 8 9 A V E -AB 107 78A 5 99,-3.1 99,-2.1 -2,-0.6 2,-0.4 -0.901 24.3-172.0-101.0 107.4 40.5 7.0 37.2 9 10 A A E -AB 106 77A 0 68,-3.2 68,-2.4 -2,-0.8 2,-0.5 -0.842 27.7-159.7-119.3 144.9 40.6 7.1 41.0 10 11 A E E -AB 105 76A 7 95,-2.9 95,-1.8 -2,-0.4 2,-0.6 -0.964 15.7-163.6-111.8 117.4 38.2 7.7 43.9 11 12 A F E -AB 104 75A 0 64,-2.5 64,-2.1 -2,-0.5 2,-0.3 -0.934 11.0-169.4-107.7 121.1 39.9 8.7 47.1 12 13 A Y E +A 103 0A 10 91,-3.2 90,-1.8 -2,-0.6 91,-1.2 -0.798 57.4 12.0-113.4 152.1 37.8 8.4 50.3 13 14 A E S S+ 0 0 95 59,-0.5 89,-0.2 -2,-0.3 -1,-0.2 0.905 82.0 169.5 53.6 49.3 38.3 9.6 53.9 14 15 A C - 0 0 9 59,-2.9 2,-0.9 -3,-0.3 86,-0.2 -0.322 50.4 -78.6 -84.3 170.7 41.2 11.9 53.1 15 16 A D > - 0 0 52 84,-3.0 4,-2.0 1,-0.2 3,-0.3 -0.600 43.3-155.2 -68.8 108.1 42.7 14.4 55.4 16 17 A R H > S+ 0 0 129 -2,-0.9 4,-0.9 1,-0.2 -1,-0.2 0.746 89.7 57.9 -63.1 -24.0 40.1 17.2 55.0 17 18 A E H >4 S+ 0 0 153 2,-0.2 3,-0.6 1,-0.2 4,-0.3 0.943 108.4 46.2 -69.2 -46.2 42.7 19.9 55.9 18 19 A V H >4 S+ 0 0 12 -3,-0.3 3,-1.5 1,-0.2 7,-0.3 0.892 106.6 58.5 -62.5 -41.3 44.9 18.8 53.0 19 20 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.762 109.3 44.6 -60.7 -26.2 42.0 18.6 50.5 20 21 A D T << S+ 0 0 67 -4,-0.9 2,-1.0 -3,-0.6 -1,-0.3 0.361 90.1 95.8-101.0 5.3 41.2 22.3 51.2 21 22 A N <> - 0 0 71 -3,-1.5 4,-2.8 -4,-0.3 3,-0.4 -0.762 50.0-175.5 -99.7 90.3 44.8 23.5 51.0 22 23 A V H > S+ 0 0 48 -2,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.808 84.5 52.3 -55.8 -31.9 45.3 24.7 47.4 23 24 A Q H > S+ 0 0 152 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.879 112.5 42.8 -73.2 -39.6 49.0 25.4 48.1 24 25 A L H > S+ 0 0 40 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.903 112.4 54.0 -73.3 -40.9 49.7 21.9 49.5 25 26 A I H X S+ 0 0 2 -4,-2.8 4,-2.5 -7,-0.3 5,-0.2 0.912 108.1 49.3 -59.5 -44.3 47.7 20.2 46.8 26 27 A E H X S+ 0 0 62 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.929 112.4 49.2 -61.2 -43.2 49.7 21.9 44.0 27 28 A Q H X S+ 0 0 117 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.932 114.2 43.7 -60.4 -49.1 52.9 20.9 45.8 28 29 A E H X S+ 0 0 30 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.821 111.5 53.7 -68.7 -33.4 51.9 17.2 46.1 29 30 A M H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.854 110.6 46.9 -70.3 -35.0 50.5 17.0 42.6 30 31 A K H X S+ 0 0 61 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.869 110.9 52.3 -73.3 -35.1 53.8 18.2 41.2 31 32 A Q H X S+ 0 0 68 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.854 107.2 52.6 -67.3 -34.6 55.7 15.8 43.4 32 33 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.861 107.0 53.2 -68.1 -35.6 53.5 13.0 42.1 33 34 A A H X>S+ 0 0 0 -4,-1.4 5,-1.8 2,-0.2 4,-0.6 0.937 110.1 47.0 -64.4 -45.3 54.4 14.1 38.5 34 35 A Y H ><5S+ 0 0 129 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.944 109.2 55.0 -59.7 -48.6 58.1 13.9 39.4 35 36 A E H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.813 107.1 50.1 -54.7 -34.9 57.6 10.5 41.0 36 37 A S H 3<5S- 0 0 5 -4,-1.6 51,-1.5 -3,-0.2 -1,-0.3 0.587 112.7-121.5 -80.9 -11.3 56.0 9.1 37.8 37 38 A G T <<5 + 0 0 49 -3,-1.8 -3,-0.2 -4,-0.6 -2,-0.1 0.628 62.0 148.2 80.3 12.7 59.0 10.5 35.8 38 39 A A < - 0 0 13 -5,-1.8 2,-0.5 -6,-0.2 -1,-0.2 -0.385 49.6-119.0 -79.9 159.3 56.7 12.6 33.7 39 40 A T - 0 0 91 -2,-0.1 21,-1.2 -3,-0.1 2,-0.3 -0.879 25.2-131.5-101.0 123.4 57.6 16.0 32.2 40 41 A I E +C 59 0A 55 -2,-0.5 19,-0.3 19,-0.2 3,-0.1 -0.584 26.6 175.4 -77.5 130.5 55.5 18.9 33.4 41 42 A V E - 0 0 66 17,-3.5 2,-0.3 1,-0.5 18,-0.2 0.850 67.6 -20.3 -96.7 -51.4 54.2 21.2 30.6 42 43 A T E -C 58 0A 39 16,-1.4 16,-1.5 120,-0.1 -1,-0.5 -0.957 56.9-148.4-153.3 164.9 52.1 23.6 32.7 43 44 A S E +C 57 0A 32 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.995 14.4 173.5-144.4 134.2 50.4 23.7 36.0 44 45 A T E +C 56 0A 24 12,-2.3 12,-2.4 -2,-0.4 2,-0.4 -0.929 2.7 174.0-148.5 121.2 47.2 25.4 37.2 45 46 A F E -C 55 0A 24 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.966 4.4-175.7-127.9 142.8 45.4 25.1 40.6 46 47 A H E -C 54 0A 59 8,-3.1 8,-2.5 -2,-0.4 2,-0.5 -0.986 16.5-145.4-139.1 146.2 42.4 27.0 42.0 47 48 A R E -C 53 0A 61 -2,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.954 17.8-155.2-113.2 127.7 40.6 27.1 45.3 48 49 A F - 0 0 58 4,-2.3 -2,-0.0 -2,-0.5 130,-0.0 -0.843 28.9 -84.3-105.5 138.4 36.8 27.6 45.2 49 50 A L S S+ 0 0 169 -2,-0.4 2,-0.1 1,-0.2 0, 0.0 -0.585 104.3 12.9 -83.0 146.1 34.8 29.1 48.1 50 51 A P S S- 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.931 133.8 -26.0 -78.3 -29.7 33.6 27.9 50.5 51 52 A Y S S+ 0 0 136 -2,-0.1 -31,-0.1 17,-0.0 2,-0.1 -0.933 84.2 86.2-140.5 162.1 35.6 24.7 50.1 52 53 A G - 0 0 8 -2,-0.3 -4,-2.3 -5,-0.1 2,-0.4 -0.001 40.8-144.6 117.9 137.2 37.2 22.8 47.2 53 54 A V E -C 47 0A 1 15,-0.4 15,-2.8 -6,-0.2 2,-0.4 -1.000 12.5-175.5-134.4 131.6 40.4 22.6 45.2 54 55 A S E +CD 46 67A 16 -8,-2.5 -8,-3.1 -2,-0.4 2,-0.3 -0.987 14.6 162.0-127.0 137.3 40.7 21.8 41.5 55 56 A G E -CD 45 66A 2 11,-2.4 11,-2.2 -2,-0.4 2,-0.4 -0.996 20.3-161.0-156.0 151.5 44.0 21.5 39.8 56 57 A V E -CD 44 65A 2 -12,-2.4 -12,-2.3 -2,-0.3 2,-0.6 -1.000 6.5-162.0-138.1 136.3 45.7 20.1 36.7 57 58 A V E -CD 43 64A 0 7,-3.3 7,-1.6 -2,-0.4 2,-0.4 -0.934 18.0-152.8-114.2 102.3 49.2 19.3 35.8 58 59 A V E +CD 42 63A 2 -16,-1.5 -17,-3.5 -2,-0.6 -16,-1.4 -0.642 22.5 178.3 -76.3 126.9 49.5 19.0 32.1 59 60 A I E > -CD 40 62A 2 3,-2.1 3,-1.7 -2,-0.4 2,-0.3 -0.554 46.4 -44.0-117.8-175.3 52.3 16.7 31.3 60 61 A S T 3 S- 0 0 37 -21,-1.2 22,-0.4 1,-0.3 -1,-0.1 -0.346 122.8 -26.7 -55.7 111.8 53.8 15.3 28.0 61 62 A E T 3 S+ 0 0 41 -2,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.648 134.9 42.5 55.0 21.0 50.8 14.4 25.9 62 63 A S E < S-D 59 0A 1 -3,-1.7 -3,-2.1 20,-0.1 2,-0.3 -0.870 72.0-114.6-165.8-161.2 48.6 13.8 29.0 63 64 A H E -DE 58 80A 1 17,-0.9 17,-3.0 -2,-0.2 2,-0.4 -0.990 9.3-147.6-158.3 163.6 47.5 15.0 32.4 64 65 A L E +DE 57 79A 0 -7,-1.6 -7,-3.3 -2,-0.3 2,-0.3 -0.994 34.5 176.1-128.6 117.6 47.2 14.6 36.1 65 66 A T E -DE 56 78A 0 13,-2.5 13,-2.4 -2,-0.4 2,-0.3 -0.898 13.2-175.2-128.3 157.9 44.1 16.2 37.6 66 67 A I E -DE 55 77A 0 -11,-2.2 -11,-2.4 -2,-0.3 2,-0.4 -0.977 7.0-176.7-153.2 137.6 42.4 16.5 41.0 67 68 A H E -DE 54 76A 4 9,-1.9 9,-3.0 -2,-0.3 2,-0.3 -0.977 19.6-158.1-136.1 117.2 39.1 17.9 42.3 68 69 A T E - E 0 75A 4 -15,-2.8 -15,-0.4 -2,-0.4 7,-0.2 -0.714 21.5-165.4-105.5 152.8 38.5 17.8 46.0 69 70 A W E >>> - E 0 74A 8 5,-3.0 3,-2.5 -2,-0.3 5,-1.7 -0.784 11.4-177.0-130.4 79.9 35.4 17.9 48.2 70 71 A P G >45S+ 0 0 8 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.830 79.9 63.4 -47.4 -39.8 36.8 18.7 51.7 71 72 A E G 345S+ 0 0 73 1,-0.3 -55,-0.0 2,-0.1 -3,-0.0 0.636 113.8 33.7 -65.8 -13.0 33.3 18.4 53.2 72 73 A Y G <45S- 0 0 95 -3,-2.5 -59,-0.5 2,-0.2 -1,-0.3 0.391 104.7-123.1-118.7 -2.8 33.2 14.8 52.2 73 74 A G T <<5S+ 0 0 0 -4,-0.8 -59,-2.9 -3,-0.8 2,-0.3 0.773 70.9 136.8 62.2 25.5 36.9 13.9 52.6 74 75 A Y E < - E 0 69A 0 -5,-1.7 -5,-3.0 -62,-0.2 2,-0.4 -0.795 36.7-173.2-108.6 146.5 36.6 12.9 48.9 75 76 A A E -BE 11 68A 0 -64,-2.1 -64,-2.5 -2,-0.3 2,-0.7 -0.997 16.8-147.8-141.2 133.8 38.9 13.5 46.0 76 77 A A E -BE 10 67A 0 -9,-3.0 -9,-1.9 -2,-0.4 2,-0.4 -0.903 29.1-176.1 -99.7 113.9 38.4 12.8 42.3 77 78 A I E -BE 9 66A 0 -68,-2.4 -68,-3.2 -2,-0.7 2,-0.4 -0.919 15.8-172.2-119.9 139.4 41.9 12.0 40.8 78 79 A D E -BE 8 65A 0 -13,-2.4 -13,-2.5 -2,-0.4 2,-0.5 -0.996 2.4-174.7-130.2 126.9 43.0 11.2 37.2 79 80 A L E +BE 7 64A 0 -72,-2.3 -72,-2.3 -2,-0.4 2,-0.6 -0.844 11.5 171.6-125.7 92.4 46.5 10.1 36.3 80 81 A F E +BE 6 63A 0 -17,-3.0 -17,-0.9 -2,-0.5 2,-0.3 -0.909 9.4 169.5-105.9 113.5 46.8 9.9 32.5 81 82 A T E -B 5 0A 1 -76,-2.8 -76,-2.6 -2,-0.6 2,-0.4 -0.912 21.9-151.3-127.3 154.0 50.4 9.2 31.3 82 83 A C E +B 4 0A 16 -22,-0.4 -78,-0.2 -2,-0.3 -79,-0.1 -0.986 56.1 46.0-126.4 133.6 52.1 8.3 28.0 83 84 A G S > S- 0 0 46 -80,-0.7 3,-1.1 -2,-0.4 -78,-0.1 -0.069 77.4-104.6 113.9 144.2 55.3 6.4 27.6 84 85 A E T 3 S+ 0 0 189 1,-0.2 -1,-0.1 -2,-0.1 -80,-0.0 0.740 119.0 58.6 -70.7 -22.4 56.7 3.2 29.1 85 86 A D T 3 S+ 0 0 154 -3,-0.1 2,-0.5 -48,-0.1 -1,-0.2 0.452 92.7 74.1 -87.3 -3.2 59.0 5.4 31.2 86 87 A V < - 0 0 22 -3,-1.1 -49,-0.2 -47,-0.0 -50,-0.1 -0.965 66.4-163.5-114.2 123.1 56.2 7.2 32.9 87 88 A D >> - 0 0 51 -51,-1.5 3,-1.3 -2,-0.5 4,-0.8 -0.908 12.4-163.9-111.6 110.5 54.4 5.2 35.6 88 89 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-0.3 0.784 87.6 66.5 -62.0 -26.4 51.0 6.5 36.8 89 90 A W H 3> S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.749 92.7 58.5 -68.9 -22.7 51.1 4.3 39.8 90 91 A K H <> S+ 0 0 111 -3,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.875 108.1 47.7 -71.5 -35.2 54.0 6.1 41.3 91 92 A A H X S+ 0 0 0 -4,-0.8 4,-2.5 -3,-0.3 -2,-0.2 0.905 110.0 52.6 -68.8 -42.8 51.8 9.3 41.2 92 93 A F H X S+ 0 0 18 -4,-2.0 4,-3.2 1,-0.2 5,-0.2 0.933 109.2 50.3 -56.6 -47.5 49.0 7.3 42.8 93 94 A E H X S+ 0 0 112 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.901 110.9 46.4 -61.5 -45.6 51.2 6.2 45.6 94 95 A H H X S+ 0 0 39 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.932 116.4 45.9 -64.7 -43.5 52.6 9.6 46.5 95 96 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.920 107.8 55.4 -66.3 -42.9 49.1 11.1 46.4 96 97 A K H X>S+ 0 0 73 -4,-3.2 5,-1.4 -5,-0.2 4,-0.5 0.908 114.6 41.7 -56.7 -39.5 47.5 8.3 48.4 97 98 A K H ><5S+ 0 0 160 -4,-1.7 3,-0.6 -5,-0.2 -2,-0.2 0.937 113.9 50.6 -73.0 -47.1 50.0 9.0 51.2 98 99 A A H 3<5S+ 0 0 13 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.836 117.6 38.9 -59.9 -37.3 49.9 12.8 50.9 99 100 A L H 3<5S- 0 0 0 -4,-2.6 -84,-3.0 -5,-0.2 -1,-0.2 0.508 101.6-134.1 -92.3 -6.5 46.1 12.9 51.2 100 101 A K T <<5 - 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