==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-AUG-02 1MJF . COMPND 2 MOLECULE: SPERMIDINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS (SECSG) . 540 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 46 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 1 1 4 3 0 0 4 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 8 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 5 0 6 0 0 0 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 3 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 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 3 A A 0 0 82 0, 0.0 2,-0.4 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 143.6 7.6 74.9 26.5 2 4 A F E -A 14 0A 12 12,-2.6 12,-2.6 2,-0.0 2,-0.4 -0.916 360.0-175.3-101.8 136.0 8.5 77.5 23.8 3 5 A I E -A 13 0A 49 -2,-0.4 2,-0.6 10,-0.2 10,-0.2 -0.999 18.1-157.5-131.4 131.6 6.2 77.8 20.8 4 6 A E E -A 12 0A 10 8,-2.4 8,-2.1 -2,-0.4 2,-0.4 -0.957 20.6-150.9-100.0 121.2 6.5 79.9 17.7 5 7 A W E -A 11 0A 88 -2,-0.6 6,-0.2 6,-0.2 3,-0.1 -0.760 13.3-170.0 -93.5 137.1 3.0 80.5 16.2 6 8 A Y E >> -A 10 0A 10 4,-3.1 3,-1.4 -2,-0.4 4,-0.5 -0.634 41.7 -55.7-115.1 171.8 2.7 81.0 12.5 7 9 A P G >4 S+ 0 0 55 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 -0.157 123.4 22.7 -47.9 143.1 -0.3 82.0 10.3 8 10 A R G 34 S- 0 0 120 1,-0.2 302,-0.7 -3,-0.1 280,-0.1 0.572 129.5 -74.2 69.7 15.8 -3.5 79.9 10.7 9 11 A G G <4 S+ 0 0 4 -3,-1.4 279,-2.3 1,-0.3 2,-0.4 0.787 82.7 150.1 72.4 30.2 -2.4 78.8 14.2 10 12 A Y E << -AB 6 287A 15 -3,-0.8 -4,-3.1 -4,-0.5 2,-0.4 -0.773 27.1-163.0 -86.6 142.0 0.3 76.3 13.2 11 13 A G E -AB 5 286A 0 275,-2.5 275,-2.2 -2,-0.4 2,-0.6 -0.978 24.0-152.0-134.8 139.5 3.0 76.0 15.9 12 14 A V E -AB 4 285A 0 -8,-2.1 -8,-2.4 -2,-0.4 2,-0.4 -0.958 31.4-170.0-104.4 121.4 6.6 74.7 16.3 13 15 A A E -AB 3 284A 0 271,-2.2 271,-2.5 -2,-0.6 2,-0.4 -0.879 17.3-173.4-120.4 143.9 7.1 73.7 19.9 14 16 A F E -AB 2 283A 0 -12,-2.6 -12,-2.6 -2,-0.4 269,-0.2 -0.998 27.9-125.9-131.3 129.7 10.1 72.7 22.0 15 17 A K - 0 0 91 267,-2.4 21,-2.3 -2,-0.4 22,-0.4 -0.557 38.6-150.8 -63.2 137.1 10.1 71.4 25.5 16 18 A I E -D 35 0B 43 19,-0.3 19,-0.3 -2,-0.2 3,-0.1 -0.903 29.3-162.7-121.5 144.6 12.5 73.7 27.4 17 19 A K E S- 0 0 113 17,-2.5 2,-0.3 -2,-0.4 18,-0.2 0.809 78.3 -20.4 -80.6 -40.4 14.7 73.3 30.5 18 20 A K E -D 34 0B 143 16,-1.7 16,-3.2 0, 0.0 2,-0.5 -0.937 50.5-120.8-169.4 141.3 15.1 77.1 31.1 19 21 A K E +D 33 0B 86 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.835 35.3 177.4 -82.2 127.8 14.9 80.6 29.6 20 22 A I E + 0 0 59 12,-2.3 2,-0.3 -2,-0.5 13,-0.2 0.509 52.3 17.1-118.1 -7.8 18.4 81.9 30.0 21 23 A Y E +D 32 0B 88 11,-1.3 11,-1.9 2,-0.0 2,-0.3 -0.964 48.1 174.0-162.6 147.6 18.5 85.4 28.5 22 24 A E E +D 31 0B 96 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.917 9.5 160.9-152.8 134.0 16.3 88.3 27.3 23 25 A K E -D 30 0B 80 7,-2.2 7,-3.1 -2,-0.3 2,-0.9 -0.960 32.9-137.6-148.9 135.0 17.1 91.7 26.0 24 26 A L E -D 29 0B 132 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.824 34.0-168.7 -86.4 107.4 15.2 94.3 24.0 25 27 A S - 0 0 12 3,-2.6 79,-0.0 -2,-0.9 -2,-0.0 -0.244 41.3 -89.0 -84.2-179.3 17.8 95.6 21.5 26 28 A K S S+ 0 0 174 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.716 126.4 26.2 -61.9 -22.0 17.5 98.6 19.3 27 29 A Y S S- 0 0 102 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.617 126.2 -9.1-117.6 -20.6 15.9 96.4 16.6 28 30 A Q - 0 0 17 -5,-0.1 -3,-2.6 2,-0.0 2,-0.5 -0.987 68.8 -86.1-172.4 161.2 14.3 93.4 18.2 29 31 A K E -D 24 0B 82 -2,-0.3 16,-2.5 -5,-0.2 2,-0.5 -0.743 42.3-157.9 -80.3 120.6 13.6 91.3 21.3 30 32 A I E +DE 23 44B 0 -7,-3.1 -7,-2.2 -2,-0.5 2,-0.3 -0.882 15.8 173.7-103.4 130.9 16.4 88.7 21.7 31 33 A E E -DE 22 43B 16 12,-2.5 12,-3.0 -2,-0.5 2,-0.4 -0.997 14.3-163.3-139.0 142.2 15.7 85.6 23.8 32 34 A V E -DE 21 42B 0 -11,-1.9 -12,-2.3 -2,-0.3 -11,-1.3 -0.988 9.3-174.5-125.8 137.0 17.7 82.4 24.4 33 35 A Y E -DE 19 41B 27 8,-2.1 8,-2.5 -2,-0.4 2,-0.7 -0.950 25.6-135.0-124.9 146.2 16.4 79.1 25.8 34 36 A E E -DE 18 40B 54 -16,-3.2 -17,-2.5 -2,-0.3 -16,-1.7 -0.935 33.6-155.7 -91.0 115.5 18.0 75.9 26.9 35 37 A T E -D 16 0B 3 4,-2.8 4,-0.3 -2,-0.7 -19,-0.3 -0.491 20.0-121.3 -87.3 165.3 15.8 73.3 25.3 36 38 A E S S+ 0 0 115 -21,-2.3 246,-0.1 246,-0.2 -20,-0.1 0.919 102.2 6.4 -70.3 -43.2 15.5 69.7 26.5 37 39 A G S S+ 0 0 19 244,-0.6 -1,-0.1 -22,-0.4 245,-0.1 0.421 124.8 54.5-127.2 -1.6 16.6 67.9 23.4 38 40 A F S S- 0 0 9 1,-0.4 15,-2.0 244,-0.1 14,-0.2 0.081 93.2-123.2-125.8 24.0 17.8 70.5 20.8 39 41 A G - 0 0 14 -4,-0.3 -4,-2.8 13,-0.2 -1,-0.4 -0.431 68.1 -8.7 70.0-144.5 20.5 72.5 22.6 40 42 A R E -E 34 0B 79 -6,-0.2 12,-2.1 75,-0.2 2,-0.5 -0.687 61.8-148.8 -93.8 143.5 20.0 76.2 22.8 41 43 A L E -EF 33 51B 0 -8,-2.5 -8,-2.1 -2,-0.3 2,-0.5 -0.936 2.3-156.3-111.8 125.4 17.4 78.2 20.9 42 44 A L E -EF 32 50B 0 8,-2.0 7,-3.2 -2,-0.5 8,-1.1 -0.927 16.4-174.0 -97.7 124.8 17.9 81.7 19.7 43 45 A A E -EF 31 48B 0 -12,-3.0 -12,-2.5 -2,-0.5 2,-0.4 -0.958 14.0-166.3-120.0 138.6 14.7 83.7 19.2 44 46 A L E > S-EF 30 47B 7 3,-2.2 3,-1.6 -2,-0.4 -14,-0.2 -0.991 85.2 -13.1-122.2 119.9 14.2 87.1 17.7 45 47 A D T 3 S- 0 0 102 -16,-2.5 -1,-0.1 -2,-0.4 -15,-0.1 0.871 130.8 -56.9 51.3 39.8 10.7 88.7 18.2 46 48 A G T 3 S+ 0 0 27 -17,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.523 111.8 122.9 74.1 7.3 9.6 85.2 19.3 47 49 A T E < -F 44 0B 29 -3,-1.6 -3,-2.2 -43,-0.1 2,-0.2 -0.871 68.1-111.9-103.5 134.9 10.7 83.6 16.0 48 50 A V E +F 43 0B 6 -2,-0.4 -5,-0.2 171,-0.2 3,-0.1 -0.423 33.6 174.4 -64.9 123.3 13.2 80.7 16.0 49 51 A Q E - 0 0 24 -7,-3.2 2,-0.3 1,-0.4 -1,-0.2 0.789 66.0 -32.0 -89.8 -43.7 16.6 81.7 14.4 50 52 A L E -F 42 0B 4 -8,-1.1 -8,-2.0 169,-0.1 -1,-0.4 -0.972 41.2-137.6-166.1 157.7 18.3 78.4 15.2 51 53 A V E > -F 41 0B 0 167,-0.3 4,-1.6 -2,-0.3 -10,-0.2 -0.985 27.5-133.3-117.2 138.8 18.6 75.5 17.6 52 54 A T T 4 S+ 0 0 30 -12,-2.1 2,-0.9 -2,-0.4 -13,-0.2 0.784 102.0 57.9 -68.8 -26.9 22.3 74.5 18.2 53 55 A L T 4 S+ 0 0 106 -15,-2.0 -1,-0.2 -13,-0.2 -16,-0.0 -0.797 123.8 15.7 -97.1 86.1 21.4 70.8 17.7 54 56 A G T >4 S+ 0 0 8 -2,-0.9 3,-2.4 -3,-0.1 164,-0.5 0.185 83.8 116.2 139.2 -16.1 20.1 71.1 14.1 55 57 A E T >X + 0 0 3 -4,-1.6 4,-2.3 1,-0.3 3,-2.1 0.717 68.2 70.9 -54.9 -26.1 21.1 74.5 12.8 56 58 A R H 3> S+ 0 0 97 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.762 84.3 70.4 -64.3 -22.1 23.3 72.8 10.1 57 59 A S H <4 S+ 0 0 0 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.627 111.3 31.5 -65.5 -15.6 19.9 71.9 8.5 58 60 A Y H <> S+ 0 0 7 -3,-2.1 4,-2.0 -4,-0.2 -2,-0.2 0.776 119.8 47.2-101.1 -54.4 19.6 75.6 7.7 59 61 A H H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 5,-0.4 0.851 110.2 53.6 -66.0 -34.2 23.1 76.9 7.2 60 62 A E H X S+ 0 0 2 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.970 113.4 39.3 -64.2 -57.3 24.2 74.0 4.9 61 63 A P H 4 S+ 0 0 0 0, 0.0 5,-0.2 0, 0.0 -2,-0.2 0.800 115.6 54.9 -64.9 -27.5 21.3 74.4 2.3 62 64 A L H < S+ 0 0 0 -4,-2.0 4,-0.3 3,-0.1 -2,-0.2 0.927 123.5 20.6 -65.3 -43.6 21.5 78.2 2.5 63 65 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 5,-0.2 0.919 114.4 55.0 -96.9 -53.5 25.2 78.4 1.7 64 66 A H H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.4 5,-0.3 0.807 98.4 57.4 -69.4 -37.3 26.6 75.3 -0.1 65 67 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.963 114.5 40.4 -53.6 -51.9 24.3 74.9 -3.2 66 68 A A H > S+ 0 0 0 -4,-0.3 4,-1.6 -5,-0.2 -2,-0.2 0.871 115.5 50.8 -63.7 -41.7 25.1 78.5 -4.4 67 69 A M H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -3,-0.2 0.882 115.1 43.2 -65.1 -37.7 28.8 78.2 -3.5 68 70 A L H < S+ 0 0 3 -4,-2.6 172,-1.3 1,-0.2 -2,-0.2 0.758 110.3 55.9 -81.2 -25.8 29.2 74.9 -5.4 69 71 A A H < S+ 0 0 13 -4,-1.9 166,-0.2 -5,-0.3 -2,-0.2 0.822 92.4 83.3 -75.3 -31.7 27.1 76.1 -8.4 70 72 A H S < S- 0 0 5 -4,-1.6 170,-0.1 -5,-0.2 164,-0.1 -0.526 81.7-134.8 -73.8 137.9 29.5 79.1 -8.8 71 73 A P S S- 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.801 90.4 -4.8 -66.0 -30.4 32.6 78.2 -10.9 72 74 A K - 0 0 55 79,-0.1 2,-0.6 0, 0.0 -4,-0.1 -0.427 69.7-167.6-163.6 78.9 35.0 80.0 -8.5 73 75 A P + 0 0 7 0, 0.0 3,-0.1 0, 0.0 107,-0.0 -0.628 25.4 149.9 -77.0 113.8 33.5 82.0 -5.6 74 76 A K + 0 0 72 -2,-0.6 22,-2.4 1,-0.3 23,-2.1 0.645 61.6 46.8-114.5 -28.7 36.2 84.2 -4.1 75 77 A R E +g 97 0C 74 21,-0.2 76,-2.4 20,-0.2 77,-1.4 -0.976 69.4 178.6-124.1 118.8 34.4 87.3 -2.8 76 78 A V E -gh 98 152C 0 21,-2.2 23,-2.6 -2,-0.5 2,-0.4 -0.932 16.1-158.1-126.6 139.4 31.2 86.7 -0.7 77 79 A L E -gh 99 153C 0 75,-2.3 77,-3.1 -2,-0.4 2,-0.5 -0.978 5.5-166.8-115.1 132.2 28.8 89.0 1.0 78 80 A V E -gh 100 154C 0 21,-2.9 23,-2.7 -2,-0.4 2,-0.5 -0.985 5.5-159.1-116.4 122.0 26.5 87.8 3.9 79 81 A I E S-gh 101 155C 5 75,-2.6 77,-2.9 -2,-0.5 2,-0.4 -0.915 70.8 -9.1-100.6 127.1 23.7 90.1 4.9 80 82 A G E S+ h 0 156C 10 21,-2.7 77,-0.2 -2,-0.5 -2,-0.1 -0.795 71.0 138.6 86.9-133.9 22.4 89.3 8.5 81 83 A G > + 0 0 2 75,-2.2 3,-1.7 -2,-0.4 6,-0.3 0.802 16.6 161.8 62.8 36.0 24.0 86.1 9.9 82 84 A G T 3 S+ 0 0 2 1,-0.3 29,-0.1 74,-0.3 -1,-0.1 0.747 70.6 60.2 -56.6 -27.3 24.5 87.6 13.4 83 85 A D T 3 S- 0 0 8 28,-0.1 35,-0.3 1,-0.1 34,-0.3 0.639 105.0-129.4 -77.8 -18.1 24.8 84.1 14.8 84 86 A G S <> S+ 0 0 0 -3,-1.7 4,-2.1 33,-0.1 5,-0.1 0.310 74.7 115.8 92.7 -8.4 27.8 83.3 12.6 85 87 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.877 75.7 50.9 -62.6 -40.2 26.6 80.0 11.1 86 88 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 111.4 45.5 -65.5 -47.6 26.4 81.3 7.6 87 89 A V H > S+ 0 0 2 -6,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.885 109.4 58.1 -64.4 -37.1 29.9 82.7 7.5 88 90 A R H < S+ 0 0 37 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.918 109.4 44.1 -56.3 -44.7 31.2 79.5 9.1 89 91 A E H >< S+ 0 0 3 -4,-1.9 3,-1.5 1,-0.2 4,-0.3 0.894 109.2 55.7 -68.8 -39.7 29.8 77.5 6.2 90 92 A V H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.3 5,-0.2 0.893 101.4 59.8 -57.5 -39.0 31.1 80.0 3.6 91 93 A L T 3< S+ 0 0 47 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.506 83.5 77.8 -75.0 -6.0 34.6 79.5 5.1 92 94 A Q T < S+ 0 0 60 -3,-1.5 -1,-0.3 -4,-0.2 2,-0.2 0.715 92.2 69.3 -63.7 -23.8 34.5 75.7 4.3 93 95 A H S < S- 0 0 13 -3,-1.8 2,-1.9 -4,-0.3 -25,-0.0 -0.635 101.2-106.5 -96.0 156.9 35.3 77.0 0.8 94 96 A D + 0 0 111 -2,-0.2 2,-0.1 2,-0.0 -3,-0.1 -0.452 59.1 159.1 -84.7 67.8 38.5 78.5 -0.4 95 97 A V - 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