==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 18-JUN-10 3NJY . COMPND 2 MOLECULE: LYSINE-SPECIFIC DEMETHYLASE 4A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.N.F.KING,I.J.CLIFTON,M.WANG,D.J.MALONEY,A.JADHAV,U.OPPERMA . 694 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 437 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 19.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 0 3 6 2 0 5 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 4 6 4 4 2 0 4 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 . 2 0 4 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 8 A L 0 0 148 0, 0.0 3,-0.1 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 1.9 49.8 -35.0 -4.5 2 9 A N > + 0 0 10 1,-0.1 3,-1.7 29,-0.1 29,-0.1 -0.596 360.0 165.3-126.5 73.0 46.1 -35.7 -5.2 3 10 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 28,-0.0 0.854 81.1 44.6 -55.7 -40.7 46.5 -38.2 -8.1 4 11 A S T 3 S- 0 0 81 -3,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.426 101.3-138.4 -83.0 -4.1 42.9 -39.3 -7.7 5 12 A A < + 0 0 8 -3,-1.7 2,-0.1 1,-0.1 -3,-0.1 0.838 41.5 168.2 47.2 39.7 41.8 -35.6 -7.5 6 13 A R - 0 0 73 1,-0.1 2,-0.7 30,-0.1 29,-0.3 -0.447 46.1 -91.4 -78.7 157.3 39.3 -36.5 -4.8 7 14 A I - 0 0 21 245,-0.2 31,-0.2 28,-0.1 -1,-0.1 -0.586 48.3-150.4 -73.4 111.9 37.6 -33.9 -2.7 8 15 A M - 0 0 40 -2,-0.7 31,-2.6 29,-0.4 2,-0.4 -0.377 6.2-149.3 -85.8 156.3 39.8 -33.2 0.4 9 16 A T E -a 39 0A 59 29,-0.2 2,-0.4 -2,-0.1 31,-0.2 -0.997 11.9-165.4-128.6 133.3 38.7 -32.1 3.9 10 17 A F E -a 40 0A 19 29,-2.1 31,-2.8 -2,-0.4 17,-0.0 -0.948 14.7-163.1-126.0 138.5 40.9 -30.1 6.2 11 18 A Y - 0 0 146 -2,-0.4 2,-0.1 29,-0.2 29,-0.1 -0.806 22.9-163.4-118.8 85.0 40.6 -29.3 9.9 12 19 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.428 15.7-123.8 -74.8 143.7 42.8 -26.3 10.6 13 20 A T >> - 0 0 77 -2,-0.1 4,-2.8 1,-0.1 3,-0.6 -0.497 36.3 -99.0 -78.8 157.1 43.9 -25.3 14.1 14 21 A M H 3> S+ 0 0 62 1,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.686 125.0 49.0 -53.4 -22.6 43.1 -21.8 15.2 15 22 A E H 3> S+ 0 0 85 2,-0.2 4,-0.6 1,-0.1 -1,-0.3 0.878 112.6 45.5 -84.8 -42.1 46.7 -20.7 14.3 16 23 A E H <4 S+ 0 0 91 -3,-0.6 3,-0.3 1,-0.2 -2,-0.2 0.851 111.9 56.1 -64.0 -33.3 46.6 -22.2 10.9 17 24 A F H < S+ 0 0 0 -4,-2.8 124,-0.3 1,-0.2 -1,-0.2 0.799 88.3 76.3 -72.2 -31.2 43.1 -20.7 10.4 18 25 A R H < S+ 0 0 50 -4,-0.8 2,-0.8 -5,-0.2 123,-0.4 0.872 89.6 54.5 -56.1 -47.3 44.1 -17.1 11.1 19 26 A N X - 0 0 78 -4,-0.6 4,-1.9 -3,-0.3 -1,-0.1 -0.782 65.9-174.5 -95.8 110.1 45.8 -16.3 7.8 20 27 A F H > S+ 0 0 10 -2,-0.8 4,-2.3 2,-0.2 3,-0.5 0.986 81.1 47.0 -70.2 -63.3 43.4 -17.1 5.0 21 28 A S H > S+ 0 0 56 125,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.882 113.5 52.5 -39.8 -46.7 45.5 -16.6 1.9 22 29 A R H > S+ 0 0 64 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.913 108.0 49.0 -65.6 -41.0 48.3 -18.6 3.6 23 30 A Y H X S+ 0 0 12 -4,-1.9 4,-2.2 -3,-0.5 5,-0.2 0.874 106.4 55.9 -70.0 -36.7 46.0 -21.6 4.3 24 31 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.892 106.7 51.7 -58.0 -39.8 44.7 -21.7 0.8 25 32 A A H X S+ 0 0 2 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.898 108.0 54.0 -63.7 -37.0 48.3 -21.9 -0.3 26 33 A Y H X S+ 0 0 59 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.902 108.1 45.7 -65.6 -41.6 48.7 -24.8 2.1 27 34 A I H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 4,-0.3 0.837 110.2 54.5 -76.9 -27.3 45.8 -26.9 0.8 28 35 A E H ><5S+ 0 0 1 -4,-1.7 3,-1.3 -5,-0.2 -1,-0.2 0.878 104.2 55.4 -65.5 -35.6 46.9 -26.4 -2.8 29 36 A S H 3<5S+ 0 0 3 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.714 105.8 52.4 -70.3 -18.4 50.3 -27.7 -1.7 30 37 A Q T 3<5S- 0 0 71 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.463 122.7-110.8 -89.4 -7.1 48.4 -30.8 -0.5 31 38 A G T X 5S+ 0 0 3 -3,-1.3 3,-1.7 -4,-0.3 4,-0.4 0.534 73.6 138.5 91.7 8.2 46.8 -31.1 -4.0 32 39 A A G > < + 0 0 0 -5,-2.5 3,-1.7 1,-0.3 4,-0.4 0.853 62.2 63.5 -50.9 -43.8 43.3 -30.1 -2.9 33 40 A H G > S+ 0 0 4 1,-0.3 3,-1.2 -6,-0.2 -1,-0.3 0.689 83.7 77.6 -62.0 -17.5 42.6 -27.9 -5.8 34 41 A R G < S+ 0 0 46 -3,-1.7 173,-0.4 1,-0.3 -1,-0.3 0.823 90.9 54.2 -66.4 -27.2 42.8 -30.8 -8.2 35 42 A A G < S- 0 0 1 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.689 107.3-127.3 -77.0 -18.8 39.3 -31.9 -7.2 36 43 A G S < S+ 0 0 1 -3,-1.2 228,-2.3 -4,-0.4 2,-0.3 0.067 85.9 52.6 94.9 -20.4 37.9 -28.5 -8.0 37 44 A L E - B 0 263A 0 -5,-0.3 -29,-0.4 226,-0.2 2,-0.3 -0.990 61.3-176.3-150.8 144.5 36.3 -28.3 -4.6 38 45 A A E - B 0 262A 0 224,-2.1 224,-2.7 -2,-0.3 2,-0.4 -0.999 17.4-135.6-148.6 147.4 37.5 -28.7 -1.0 39 46 A K E -aB 9 261A 19 -31,-2.6 -29,-2.1 -2,-0.3 2,-0.5 -0.861 13.5-167.3-107.4 140.9 36.0 -28.6 2.5 40 47 A V E -aB 10 260A 0 220,-2.1 220,-1.7 -2,-0.4 -29,-0.2 -0.943 7.3-157.4-129.6 112.4 37.4 -26.8 5.5 41 48 A V - 0 0 15 -31,-2.8 218,-0.1 -2,-0.5 3,-0.1 -0.764 23.9-134.0 -86.5 120.2 36.1 -27.5 9.0 42 49 A P - 0 0 12 0, 0.0 4,-0.1 0, 0.0 -29,-0.1 -0.385 34.7 -77.7 -76.8 151.5 36.9 -24.5 11.2 43 50 A P > - 0 0 13 0, 0.0 3,-2.6 0, 0.0 -30,-0.1 -0.162 45.3-118.0 -42.3 136.0 38.4 -24.7 14.7 44 51 A K T 3 S+ 0 0 172 1,-0.3 -31,-0.0 -3,-0.1 0, 0.0 0.816 113.5 56.0 -49.4 -37.0 35.6 -25.7 17.1 45 52 A E T 3 S+ 0 0 139 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.347 87.1 104.2 -85.2 8.2 36.0 -22.5 19.1 46 53 A W < + 0 0 17 -3,-2.6 -32,-0.0 -4,-0.1 0, 0.0 -0.761 40.6 164.9 -92.1 133.9 35.4 -20.4 16.0 47 54 A K - 0 0 85 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.959 27.1-161.3-146.1 132.6 32.1 -18.7 15.4 48 55 A P S S+ 0 0 3 0, 0.0 87,-2.4 0, 0.0 2,-0.3 0.595 82.4 23.0 -86.2 -14.2 31.3 -15.9 12.9 49 56 A R - 0 0 59 85,-0.2 3,-0.1 1,-0.1 85,-0.1 -0.992 62.9-140.1-152.6 151.7 28.1 -14.8 14.7 50 57 A A S S- 0 0 110 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.934 85.1 -1.6 -76.3 -51.2 26.7 -15.0 18.2 51 58 A S - 0 0 49 1,-0.0 3,-0.4 0, 0.0 -1,-0.3 -0.990 42.7-156.0-148.5 137.8 23.1 -15.8 17.4 52 59 A Y S S+ 0 0 50 -2,-0.3 3,-0.2 1,-0.2 4,-0.1 -0.204 74.6 99.0 -98.6 42.0 20.9 -16.2 14.3 53 60 A D S S+ 0 0 136 1,-0.1 -1,-0.2 2,-0.1 3,-0.2 0.429 73.2 61.1-104.0 0.3 17.8 -15.3 16.2 54 61 A D S S+ 0 0 100 -3,-0.4 3,-0.4 1,-0.1 -1,-0.1 0.336 82.9 76.1-110.9 7.6 17.7 -11.7 15.0 55 62 A I > + 0 0 8 -3,-0.2 3,-3.3 1,-0.2 32,-0.5 0.546 55.2 105.0-102.6 -4.9 17.4 -12.1 11.2 56 63 A D T 3 S+ 0 0 45 1,-0.3 32,-1.9 -3,-0.2 33,-0.3 0.702 84.1 50.6 -50.9 -22.1 13.8 -13.0 10.8 57 64 A D T 3 S+ 0 0 133 -3,-0.4 -1,-0.3 30,-0.2 -2,-0.1 0.487 81.0 122.8 -96.5 -5.0 13.0 -9.4 9.6 58 65 A L < - 0 0 71 -3,-3.3 29,-1.8 1,-0.1 2,-0.4 -0.335 62.6-122.4 -58.3 135.3 15.8 -9.4 7.0 59 66 A V E -G 86 0B 78 27,-0.2 27,-0.2 28,-0.1 -1,-0.1 -0.667 15.7-159.7 -88.2 133.5 14.5 -8.8 3.5 60 67 A I E -G 85 0B 0 25,-3.3 25,-1.2 -2,-0.4 67,-0.1 -0.882 14.2-168.4-102.3 93.5 15.0 -11.1 0.5 61 68 A P S S+ 0 0 82 0, 0.0 23,-0.3 0, 0.0 -1,-0.1 0.769 74.8 20.8 -56.5 -31.5 14.4 -8.5 -2.3 62 69 A A S S- 0 0 32 65,-0.2 65,-0.3 21,-0.1 21,-0.1 -0.560 70.2-173.7-146.1 73.1 14.1 -11.1 -5.1 63 70 A P - 0 0 0 0, 0.0 19,-2.8 0, 0.0 2,-0.4 -0.394 20.6-138.5 -66.4 148.6 13.2 -14.7 -4.3 64 71 A I E -HI 81 125C 21 61,-2.7 61,-2.9 17,-0.2 2,-0.5 -0.912 6.9-147.3-114.9 134.7 13.4 -17.0 -7.2 65 72 A Q E -HI 80 124C 37 15,-3.4 15,-2.5 -2,-0.4 2,-1.0 -0.892 21.3-143.6 -94.4 127.7 11.1 -19.8 -8.2 66 73 A Q E -H 79 0C 10 57,-2.0 2,-0.6 -2,-0.5 13,-0.2 -0.771 16.6-173.3-102.8 96.9 13.1 -22.6 -9.9 67 74 A L E -H 78 0C 57 11,-2.3 11,-3.6 -2,-1.0 2,-0.4 -0.787 9.5-167.2 -87.1 118.2 11.2 -24.2 -12.7 68 75 A V E -H 77 0C 12 -2,-0.6 2,-0.4 50,-0.3 9,-0.2 -0.844 6.3-175.4-109.5 143.3 13.1 -27.2 -14.0 69 76 A T E +H 76 0C 75 7,-2.2 7,-2.6 -2,-0.4 2,-0.3 -1.000 32.2 67.9-136.8 140.2 12.4 -29.1 -17.2 70 77 A G E -H 75 0C 41 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.892 50.6-122.4 150.4-169.3 13.8 -32.2 -18.8 71 78 A Q E > S+H 74 0C 152 3,-1.0 3,-1.9 -2,-0.3 -2,-0.0 -0.955 74.2 37.7-153.6 165.7 14.2 -35.9 -18.5 72 79 A S T 3 S- 0 0 93 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.882 128.3 -52.5 57.0 42.2 16.9 -38.6 -18.2 73 80 A G T 3 S+ 0 0 11 42,-0.2 166,-2.4 1,-0.1 2,-0.5 0.484 115.3 105.4 75.4 3.2 19.3 -36.6 -16.1 74 81 A L E < +HJ 71 238C 32 -3,-1.9 -3,-1.0 164,-0.2 2,-0.3 -0.972 44.7 164.3-119.0 123.7 19.4 -33.5 -18.4 75 82 A F E -HJ 70 237C 12 162,-2.4 162,-2.5 -2,-0.5 2,-0.4 -0.954 31.0-148.2-138.6 151.4 17.6 -30.4 -17.3 76 83 A T E -HJ 69 236C 24 -7,-2.6 -7,-2.2 -2,-0.3 2,-0.5 -0.968 20.5-146.7-114.6 137.9 17.2 -26.7 -17.9 77 84 A Q E -H 68 0C 9 158,-2.2 2,-0.4 -2,-0.4 -9,-0.2 -0.899 9.5-163.8-111.3 123.8 16.3 -24.4 -15.0 78 85 A Y E -H 67 0C 119 -11,-3.6 -11,-2.3 -2,-0.5 2,-0.5 -0.878 13.5-136.9-109.4 137.2 14.1 -21.3 -15.5 79 86 A N E -H 66 0C 102 -2,-0.4 2,-0.6 -13,-0.2 -13,-0.2 -0.802 14.9-172.3 -96.6 126.3 13.9 -18.5 -13.0 80 87 A I E -H 65 0C 72 -15,-2.5 -15,-3.4 -2,-0.5 2,-0.4 -0.977 22.6-139.2-111.8 116.4 10.6 -17.0 -12.1 81 88 A Q E -H 64 0C 137 -2,-0.6 -17,-0.2 -17,-0.2 2,-0.2 -0.618 20.2-163.5 -80.8 131.2 11.1 -14.0 -9.9 82 89 A K - 0 0 91 -19,-2.8 2,-0.1 -2,-0.4 3,-0.1 -0.493 29.4 -79.1-104.6 174.9 8.7 -13.5 -7.0 83 90 A K - 0 0 109 -2,-0.2 -1,-0.1 1,-0.1 -21,-0.1 -0.392 60.2 -85.9 -74.3 151.7 7.8 -10.6 -4.8 84 91 A A + 0 0 58 -23,-0.3 2,-0.3 -22,-0.1 -1,-0.1 0.089 51.1 173.3 -51.9 164.9 10.1 -9.7 -1.9 85 92 A M E -G 60 0B 21 -25,-1.2 -25,-3.3 -3,-0.1 2,-0.1 -0.962 28.1-105.2-171.1 162.4 9.8 -11.4 1.5 86 93 A T E > -G 59 0B 35 -2,-0.3 4,-2.4 -27,-0.2 -27,-0.2 -0.460 34.6-108.0 -95.6 166.2 11.4 -11.7 4.8 87 94 A V H > S+ 0 0 0 -29,-1.8 4,-2.0 -32,-0.5 -30,-0.2 0.821 118.7 56.9 -60.5 -30.0 13.5 -14.5 6.2 88 95 A R H > S+ 0 0 76 -32,-1.9 4,-1.3 -30,-0.2 -1,-0.2 0.974 108.8 41.5 -68.8 -54.4 10.6 -15.3 8.5 89 96 A E H > S+ 0 0 96 -33,-0.3 4,-2.1 1,-0.2 3,-0.3 0.890 114.1 54.7 -63.2 -35.9 7.9 -15.8 5.8 90 97 A F H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.904 106.3 51.1 -59.4 -43.5 10.4 -17.7 3.7 91 98 A R H X S+ 0 0 65 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.739 106.3 55.1 -70.4 -23.4 11.1 -20.1 6.6 92 99 A K H X S+ 0 0 63 -4,-1.3 4,-1.4 -3,-0.3 -1,-0.2 0.938 111.4 44.4 -71.4 -49.3 7.4 -20.7 7.0 93 100 A I H < S+ 0 0 55 -4,-2.1 6,-0.5 2,-0.2 3,-0.4 0.940 113.4 49.8 -57.6 -49.9 7.2 -21.7 3.4 94 101 A A H < S+ 0 0 2 -4,-2.9 80,-0.2 1,-0.3 -1,-0.2 0.922 117.1 40.9 -60.3 -42.8 10.3 -23.8 3.4 95 102 A N H < S+ 0 0 90 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.638 91.9 112.4 -82.4 -13.3 9.1 -25.7 6.5 96 103 A S S X S- 0 0 38 -4,-1.4 4,-0.8 -3,-0.4 3,-0.2 -0.042 85.3-104.3 -54.0 164.5 5.5 -25.9 5.3 97 104 A D T 4 S+ 0 0 155 1,-0.2 -1,-0.1 2,-0.2 -4,-0.1 0.744 116.7 50.2 -73.8 -21.7 4.3 -29.4 4.4 98 105 A K T 4 S+ 0 0 117 1,-0.2 -1,-0.2 -5,-0.1 -4,-0.1 0.809 118.4 34.0 -84.3 -31.5 4.5 -28.9 0.7 99 106 A Y T 4 S+ 0 0 32 -6,-0.5 75,-0.6 -3,-0.2 -2,-0.2 0.372 94.5 109.0-104.9 4.5 8.1 -27.6 0.5 100 107 A C S < S- 0 0 47 -4,-0.8 -5,-0.1 -5,-0.1 175,-0.1 -0.391 78.4 -79.3 -93.2 165.7 9.8 -29.4 3.3 101 108 A T - 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