==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-FEB-08 3C6K . COMPND 2 MOLECULE: SPERMINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.MIN,H.WU,H.ZENG,P.LOPPNAU,J.WEIGELT,M.SUNDSTROM, . 1374 23 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1008 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 331 24.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 20 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 132 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 300 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.9 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 0 0 0 8 0 0 8 4 1 3 5 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 16 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 . 7 6 5 4 3 15 8 4 2 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 4 0 0 4 4 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 5 A G 0 0 52 0, 0.0 2,-0.4 0, 0.0 97,-0.2 0.000 360.0 360.0 360.0 178.7 -8.6 77.2 21.5 2 6 A S E -A 97 0A 0 95,-3.2 95,-3.5 93,-0.0 2,-0.5 -0.993 360.0-138.4-128.1 129.9 -7.9 81.0 21.7 3 7 A R E -AB 96 68A 79 65,-2.5 65,-1.6 -2,-0.4 2,-0.6 -0.846 15.4-160.6 -93.4 124.6 -8.4 83.5 18.9 4 8 A H E -AB 95 67A 13 91,-2.8 91,-2.4 -2,-0.5 2,-0.3 -0.916 8.6-170.9-109.6 110.7 -5.7 86.1 18.6 5 9 A S E - B 0 66A 1 61,-2.9 61,-2.6 -2,-0.6 2,-0.3 -0.795 2.0-164.9-107.6 146.0 -6.5 89.3 16.6 6 10 A T E - B 0 65A 19 86,-0.5 2,-0.4 -2,-0.3 59,-0.2 -0.940 13.6-177.9-131.2 150.2 -4.1 92.0 15.5 7 11 A L E - B 0 64A 0 57,-2.3 57,-3.1 -2,-0.3 2,-0.4 -0.966 11.1-167.8-148.1 125.6 -4.3 95.5 14.3 8 12 A D E -CB 90 63A 9 82,-2.2 82,-2.6 -2,-0.4 2,-0.5 -0.979 5.3-164.7-120.4 133.4 -1.2 97.5 13.3 9 13 A F E -CB 89 62A 6 53,-3.1 53,-2.3 -2,-0.4 2,-0.7 -0.968 4.0-164.5-117.0 123.4 -0.9 101.3 12.6 10 14 A M E B 0 61A 56 78,-2.9 51,-0.2 -2,-0.5 50,-0.1 -0.920 360.0 360.0-105.7 105.8 2.1 102.7 10.8 11 15 A L 0 0 112 49,-3.7 78,-0.0 -2,-0.7 50,-0.0 -0.378 360.0 360.0-104.4 360.0 1.9 106.5 11.5 12 ! 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 13 22 A E > 0 0 71 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 144.7 0.6 110.5 25.2 14 23 A T H > + 0 0 122 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.813 360.0 46.9 -74.8 -33.2 -2.1 111.5 22.8 15 24 A I H > S+ 0 0 43 2,-0.2 4,-1.6 1,-0.2 5,-0.3 0.918 111.8 54.4 -66.4 -43.0 -2.8 108.2 21.1 16 25 A L H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.938 112.5 40.3 -57.0 -50.1 -2.9 106.4 24.5 17 26 A K H X S+ 0 0 144 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.818 111.8 58.7 -72.5 -31.5 -5.6 108.8 25.9 18 27 A G H < S+ 0 0 27 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.803 117.0 31.5 -63.4 -31.9 -7.5 108.8 22.6 19 28 A L H >X S+ 0 0 1 -4,-1.6 3,-1.7 -3,-0.4 4,-0.7 0.752 96.1 82.9-101.3 -33.8 -8.0 105.0 22.6 20 29 A Q H >X S+ 0 0 42 -4,-2.5 4,-1.8 -5,-0.3 3,-0.6 0.791 85.2 65.6 -36.6 -38.5 -8.1 104.2 26.4 21 30 A S H 3X S+ 0 0 44 -4,-0.6 4,-2.2 1,-0.2 -1,-0.3 0.876 91.5 59.9 -57.8 -44.2 -11.8 105.2 26.2 22 31 A I H <> S+ 0 0 5 -3,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.825 110.0 42.5 -55.8 -36.8 -12.8 102.2 23.9 23 32 A F H <<>S+ 0 0 0 -4,-0.7 5,-2.2 -3,-0.6 -1,-0.2 0.842 109.3 55.6 -82.2 -35.7 -11.6 99.7 26.5 24 33 A Q H ><5S+ 0 0 80 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.915 106.0 53.8 -62.4 -39.2 -13.1 101.5 29.6 25 34 A E H 3<5S+ 0 0 146 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.795 102.6 55.3 -65.1 -31.1 -16.5 101.4 27.9 26 35 A Q T 3<5S- 0 0 60 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.420 122.3-110.6 -80.6 1.0 -16.3 97.6 27.4 27 36 A G T < 5 + 0 0 61 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.655 65.5 154.4 82.4 18.8 -15.7 97.4 31.1 28 37 A M < - 0 0 4 -5,-2.2 2,-0.3 18,-0.1 -1,-0.2 -0.588 42.7-125.9 -86.7 137.9 -12.1 96.4 30.8 29 38 A A E -D 45 0A 59 16,-1.8 16,-2.3 -2,-0.3 2,-0.3 -0.657 27.8-146.4 -77.9 137.0 -9.5 97.0 33.5 30 39 A E E -D 44 0A 65 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.772 18.5-176.3-107.8 142.6 -6.4 98.8 32.4 31 40 A S E -D 43 0A 73 12,-2.4 12,-3.1 -2,-0.3 2,-0.4 -0.959 14.0-157.1-134.5 126.5 -2.7 98.7 33.4 32 41 A V E -D 42 0A 59 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.843 8.9-170.5-105.7 134.2 -0.1 101.0 31.9 33 42 A H E -D 41 0A 62 8,-2.7 8,-2.8 -2,-0.4 2,-0.4 -0.990 11.0-163.7-117.7 130.9 3.6 100.5 31.7 34 43 A T E -D 40 0A 81 -2,-0.4 2,-0.4 6,-0.2 6,-0.2 -0.931 5.5-155.9-115.6 131.9 5.7 103.4 30.5 35 44 A W E > -D 39 0A 16 4,-3.1 4,-0.5 -2,-0.4 355,-0.0 -0.852 22.5-128.9 -99.0 150.1 9.3 103.2 29.3 36 45 A Q T 4 S+ 0 0 193 -2,-0.4 -1,-0.1 1,-0.2 3,-0.0 0.938 104.6 5.8 -59.5 -45.9 11.5 106.3 29.5 37 46 A D T 4 S+ 0 0 107 1,-0.1 -1,-0.2 -3,-0.1 354,-0.0 0.526 126.0 61.7-112.4 -11.8 12.5 106.1 25.8 38 47 A H T 4 S- 0 0 38 1,-0.3 2,-0.2 19,-0.1 -2,-0.1 0.219 91.8-126.4-116.0 13.2 10.4 103.2 24.4 39 48 A G E < -D 35 0A 8 -4,-0.5 -4,-3.1 18,-0.2 2,-0.3 -0.527 41.6 -35.6 89.3-142.7 6.8 104.3 24.7 40 49 A Y E -DE 34 56A 58 16,-2.3 16,-3.0 -2,-0.2 2,-0.4 -0.925 27.1-165.8-130.2 146.7 3.8 102.6 26.3 41 50 A L E -DE 33 55A 2 -8,-2.8 -8,-2.7 -2,-0.3 2,-0.5 -0.981 15.1-170.9-125.6 120.5 2.3 99.2 26.8 42 51 A A E -DE 32 54A 0 12,-3.2 12,-3.4 -2,-0.4 2,-0.4 -0.948 3.8-163.3-110.0 124.5 -1.3 99.2 28.0 43 52 A T E -DE 31 53A 15 -12,-3.1 -12,-2.4 -2,-0.5 2,-0.4 -0.927 4.7-168.5-107.6 135.7 -2.8 95.8 29.1 44 53 A Y E -DE 30 52A 0 8,-3.0 8,-2.3 -2,-0.4 2,-0.3 -0.980 1.3-164.2-125.8 132.3 -6.6 95.5 29.4 45 54 A T E -DE 29 51A 16 -16,-2.3 -16,-1.8 -2,-0.4 2,-0.3 -0.899 3.1-155.5-119.2 151.0 -8.4 92.5 31.0 46 55 A N > - 0 0 15 4,-2.4 3,-2.0 -2,-0.3 -18,-0.1 -0.914 26.6-123.2-124.2 149.3 -12.1 91.4 30.8 47 56 A K T 3 S+ 0 0 192 -2,-0.3 332,-0.1 1,-0.3 -1,-0.1 0.758 110.3 66.3 -65.2 -22.2 -14.1 89.3 33.3 48 57 A N T 3 S- 0 0 77 2,-0.1 -1,-0.3 1,-0.1 21,-0.3 0.463 123.4-102.7 -79.0 3.4 -14.8 86.9 30.5 49 58 A G S < S+ 0 0 3 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.493 82.5 125.7 86.5 5.1 -11.1 85.9 30.4 50 59 A S - 0 0 3 18,-0.1 -4,-2.4 -4,-0.0 -1,-0.3 -0.589 36.6-172.6 -86.7 156.8 -10.2 87.9 27.3 51 60 A F E -EF 45 67A 4 16,-1.9 16,-2.7 -6,-0.2 2,-0.3 -0.972 13.8-151.8-148.4 160.9 -7.4 90.6 27.2 52 61 A A E -EF 44 66A 0 -8,-2.3 -8,-3.0 -2,-0.3 2,-0.4 -0.949 2.7-158.0-132.4 146.9 -5.8 93.2 25.0 53 62 A N E -EF 43 65A 4 12,-2.3 12,-2.1 -2,-0.3 2,-0.6 -0.999 4.5-165.8-123.9 128.8 -2.4 94.7 24.7 54 63 A L E -EF 42 64A 1 -12,-3.4 -12,-3.2 -2,-0.4 2,-0.6 -0.959 6.6-170.3-115.4 110.9 -1.8 98.1 23.2 55 64 A R E -EF 41 63A 0 8,-3.0 8,-2.7 -2,-0.6 2,-0.7 -0.917 0.7-170.8-104.9 118.1 1.8 98.8 22.4 56 65 A I E -EF 40 62A 1 -16,-3.0 -16,-2.3 -2,-0.6 6,-0.2 -0.915 9.2-154.4-114.2 108.2 2.6 102.3 21.4 57 66 A Y > - 0 0 18 4,-3.0 3,-0.7 -2,-0.7 -18,-0.2 -0.442 26.2-118.4 -76.8 155.0 6.2 102.9 20.1 58 67 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 0.695 102.6 45.1 -75.8 -12.0 7.4 106.4 20.6 59 68 A H T 3 S- 0 0 186 2,-0.1 3,-0.1 -21,-0.1 -21,-0.0 -0.315 127.9 -52.9-131.6 55.8 7.8 107.1 16.8 60 69 A G S < S+ 0 0 25 -3,-0.7 -49,-3.7 1,-0.2 2,-0.5 0.109 94.5 105.5 117.5 -23.6 4.9 106.0 14.7 61 70 A L E +B 10 0A 26 -51,-0.2 -4,-3.0 -53,-0.0 2,-0.4 -0.819 35.1 178.0 -98.3 127.3 4.0 102.3 15.3 62 71 A V E -BF 9 56A 2 -53,-2.3 -53,-3.1 -2,-0.5 2,-0.5 -0.996 8.4-170.4-124.7 122.1 0.9 101.3 17.3 63 72 A L E -BF 8 55A 0 -8,-2.7 -8,-3.0 -2,-0.4 2,-0.4 -0.964 1.6-169.5-115.8 125.7 0.3 97.5 17.7 64 73 A L E -BF 7 54A 0 -57,-3.1 -57,-2.3 -2,-0.5 2,-0.4 -0.961 5.0-180.0-115.8 132.5 -2.9 96.1 19.1 65 74 A D E -BF 6 53A 5 -12,-2.1 -12,-2.3 -2,-0.4 2,-0.4 -0.999 2.5-174.3-126.7 134.6 -3.4 92.4 20.0 66 75 A L E -BF 5 52A 1 -61,-2.6 -61,-2.9 -2,-0.4 2,-0.4 -0.984 1.6-170.3-127.0 141.7 -6.6 90.9 21.5 67 76 A Q E +BF 4 51A 0 -16,-2.7 -16,-1.9 -2,-0.4 2,-0.3 -0.997 12.6 158.4-128.0 140.4 -7.2 87.3 22.7 68 77 A S E B 3 0A 30 -65,-1.6 -65,-2.5 -2,-0.4 -18,-0.1 -0.994 360.0 360.0-152.3 157.5 -10.3 85.5 23.7 69 78 A Y 0 0 105 -2,-0.3 -1,-0.1 -21,-0.3 -20,-0.1 0.903 360.0 360.0 -46.8 360.0 -11.9 82.0 24.2 70 ! 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 71 86 A E > 0 0 184 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -37.1 -18.0 89.7 18.0 72 87 A E H > + 0 0 68 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.922 360.0 44.7 -61.2 -48.1 -17.0 91.8 21.0 73 88 A I H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.927 110.7 55.1 -64.6 -41.6 -13.3 91.9 20.0 74 89 A D H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.898 108.9 48.6 -53.5 -42.5 -14.2 92.5 16.3 75 90 A S H X S+ 0 0 41 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.866 108.0 53.6 -69.1 -38.4 -16.2 95.5 17.4 76 91 A I H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.958 109.8 48.2 -60.5 -51.7 -13.3 96.8 19.5 77 92 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.886 111.4 50.8 -56.3 -40.5 -11.0 96.6 16.5 78 93 A N H X S+ 0 0 77 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.961 111.6 47.6 -63.2 -47.3 -13.6 98.4 14.4 79 94 A K H X S+ 0 0 78 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.901 109.8 52.4 -55.4 -44.6 -13.8 101.1 17.0 80 95 A V H X S+ 0 0 1 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.942 109.0 50.5 -63.3 -44.9 -10.0 101.5 17.2 81 96 A E H X S+ 0 0 57 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.960 112.2 46.5 -53.8 -52.9 -9.8 101.9 13.4 82 97 A E H X S+ 0 0 124 -4,-2.4 4,-1.0 1,-0.2 3,-0.2 0.889 114.4 48.8 -54.4 -43.5 -12.5 104.7 13.5 83 98 A R H >< S+ 0 0 68 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.887 104.7 55.6 -71.6 -40.2 -10.8 106.4 16.4 84 99 A M H 3< S+ 0 0 39 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.773 100.9 61.5 -61.7 -25.4 -7.4 106.4 14.9 85 100 A K H 3< 0 0 178 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.854 360.0 360.0 -68.0 -34.3 -9.0 108.2 11.9 86 101 A E << 0 0 185 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.1 0.946 360.0 360.0 -66.7 360.0 -9.8 111.0 14.4 87 ! 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 88 109 A R 0 0 221 0, 0.0 -78,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -4.3 -0.5 102.2 7.0 89 110 A V E -C 9 0A 64 -80,-0.2 2,-0.4 2,-0.0 -80,-0.2 -0.999 360.0-173.0-119.9 132.2 -3.1 100.0 8.7 90 111 A K E +C 8 0A 33 -82,-2.6 -82,-2.2 -2,-0.4 2,-0.4 -0.983 11.1 173.8-124.5 125.5 -2.8 96.2 8.7 91 112 A R - 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