==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 01-AUG-12 4GE4 . COMPND 2 MOLECULE: KYNURENINE/ALPHA-AMINOADIPATE AMINOTRANSFERASE, . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.PANDIT . 850 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 38 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 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 4 2 0 4 3 1 0 0 2 2 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 2 2 2 6 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 . 2 6 1 3 2 3 0 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 . 4 0 1 2 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 1 A M 0 0 66 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 137.8 41.7 14.9 6.5 2 2 A N > + 0 0 100 1,-0.2 3,-1.3 100,-0.0 4,-0.2 -0.842 360.0 179.3-104.6 86.9 44.0 16.8 4.1 3 3 A Y G > + 0 0 14 -2,-0.9 3,-2.4 1,-0.2 -1,-0.2 0.751 67.6 80.0 -60.9 -27.1 41.8 16.5 1.0 4 4 A A G > S+ 0 0 67 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.699 85.2 59.0 -54.0 -29.0 44.4 18.4 -1.1 5 5 A R G < S+ 0 0 52 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.589 106.0 50.0 -79.2 -8.2 46.5 15.2 -1.5 6 6 A F G < S+ 0 0 0 -3,-2.4 2,-0.4 -4,-0.2 -1,-0.2 0.078 100.4 74.7-111.7 13.2 43.5 13.6 -3.2 7 7 A I S < S- 0 0 33 -3,-0.9 117,-0.2 117,-0.1 116,-0.1 -0.993 76.0-131.9-133.4 125.2 42.8 16.4 -5.7 8 8 A T > - 0 0 11 115,-2.8 4,-2.2 -2,-0.4 5,-0.2 -0.228 28.5-108.3 -67.4 162.1 45.0 17.1 -8.8 9 9 A A H > S+ 0 0 86 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.896 121.6 52.5 -58.0 -41.7 46.2 20.6 -9.7 10 10 A A H 4 S+ 0 0 37 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.881 109.6 47.7 -61.8 -45.5 43.7 20.7 -12.6 11 11 A S H >4 S+ 0 0 4 112,-0.2 3,-1.2 1,-0.2 -2,-0.2 0.907 112.5 48.9 -64.0 -40.0 40.8 19.8 -10.3 12 12 A A H 3< S+ 0 0 55 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.747 104.1 61.5 -70.6 -25.6 41.9 22.5 -7.7 13 13 A A T 3< S+ 0 0 33 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.556 81.2 111.5 -76.9 -11.0 42.1 25.1 -10.5 14 14 A R < - 0 0 20 -3,-1.2 269,-0.1 -4,-0.3 268,-0.1 -0.444 49.1-168.0 -70.9 136.9 38.4 24.7 -11.3 15 15 A N - 0 0 85 557,-0.2 -2,-0.1 -2,-0.2 -1,-0.0 -0.896 26.1 -99.1-120.9 155.3 36.2 27.7 -10.5 16 16 A P - 0 0 50 0, 0.0 -1,-0.0 0, 0.0 266,-0.0 -0.287 47.6 -97.2 -68.4 158.4 32.4 28.0 -10.3 17 17 A S > - 0 0 28 1,-0.1 4,-2.1 4,-0.0 3,-0.4 -0.296 32.5-108.6 -68.0 159.4 30.5 29.6 -13.3 18 18 A P H > S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.828 120.7 57.4 -60.4 -29.6 29.6 33.3 -13.3 19 19 A I H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.878 106.0 47.0 -66.0 -41.3 25.9 32.3 -12.9 20 20 A R H > S+ 0 0 108 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.956 113.4 50.0 -64.1 -47.7 26.7 30.3 -9.6 21 21 A T H X S+ 0 0 46 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.862 111.6 47.6 -54.6 -46.9 28.7 33.4 -8.4 22 22 A M H >X S+ 0 0 8 -4,-2.3 4,-0.7 1,-0.2 3,-0.6 0.900 111.0 51.7 -62.3 -47.7 25.8 35.8 -9.2 23 23 A T H >< S+ 0 0 69 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.847 105.8 54.9 -56.7 -41.8 23.2 33.5 -7.5 24 24 A D H 3< S+ 0 0 95 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.758 103.6 55.7 -65.7 -27.4 25.4 33.4 -4.3 25 25 A I H << S+ 0 0 87 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.698 89.8 102.6 -76.7 -24.9 25.4 37.3 -4.1 26 26 A L << 0 0 61 -4,-0.7 775,-0.1 -3,-0.7 -3,-0.0 -0.177 360.0 360.0 -62.4 152.6 21.6 37.4 -4.1 27 27 A S 0 0 174 773,-0.2 -1,-0.1 0, 0.0 -4,-0.0 0.672 360.0 360.0-102.8 360.0 19.5 37.9 -0.9 28 ! 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 29 32 A S 0 0 163 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.4 11.2 42.0 -7.0 30 33 A M - 0 0 86 2,-0.0 2,-0.5 774,-0.0 774,-0.2 -0.989 360.0-155.4-133.4 140.3 14.0 41.2 -9.5 31 34 A I E -a 804 0A 25 772,-3.8 774,-3.0 -2,-0.4 2,-0.6 -0.944 19.2-160.6-109.0 120.7 14.7 41.7 -13.2 32 35 A S E +a 805 0A 59 -2,-0.5 797,-0.2 772,-0.2 798,-0.2 -0.922 34.2 152.2-112.4 121.6 17.1 39.2 -14.7 33 36 A L + 0 0 1 772,-3.6 793,-2.7 -2,-0.6 774,-0.4 -0.093 58.5 97.2-122.2 23.6 19.1 39.9 -17.9 34 37 A A + 0 0 5 772,-0.2 2,-0.3 791,-0.2 772,-0.1 0.897 64.8 61.9 -83.5 -50.7 21.9 37.5 -16.7 35 38 A G - 0 0 14 791,-0.1 2,-1.1 770,-0.1 793,-0.2 -0.623 69.1-132.2 -93.0 150.5 21.4 34.0 -18.1 36 39 A G + 0 0 13 -2,-0.3 -1,-0.1 792,-0.1 744,-0.1 -0.230 55.7 152.8 -84.0 43.4 21.4 32.7 -21.7 37 40 A L - 0 0 68 -2,-1.1 651,-0.1 742,-0.1 32,-0.1 -0.638 48.9-117.5 -77.1 128.6 18.2 30.8 -20.8 38 41 A P - 0 0 4 0, 0.0 32,-0.1 0, 0.0 651,-0.1 -0.270 44.6 -90.3 -58.2 149.8 15.8 30.0 -23.7 39 42 A N > - 0 0 6 649,-0.2 3,-1.8 1,-0.1 4,-0.2 -0.518 32.6-140.5 -64.5 124.1 12.4 31.7 -23.3 40 43 A P T 3 S+ 0 0 37 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.547 98.5 60.0 -67.1 -7.5 10.2 29.3 -21.3 41 44 A N T 3 S+ 0 0 83 1,-0.2 -2,-0.1 788,-0.0 788,-0.0 0.411 95.4 63.4 -96.9 -1.4 7.1 30.1 -23.4 42 45 A M S < S+ 0 0 53 -3,-1.8 -1,-0.2 705,-0.0 705,-0.1 0.366 72.6 116.8-101.4 -2.5 8.8 29.0 -26.7 43 46 A F - 0 0 7 -3,-0.3 438,-0.2 -4,-0.2 648,-0.1 -0.471 61.0-144.4 -68.1 136.6 9.2 25.4 -25.8 44 47 A P S S+ 0 0 6 0, 0.0 437,-1.8 0, 0.0 2,-0.4 0.740 81.7 76.8 -76.8 -21.6 7.2 23.0 -28.1 45 48 A F E +B 480 0B 3 645,-0.3 435,-0.2 435,-0.2 3,-0.1 -0.762 55.1 171.1 -90.7 131.5 6.3 20.6 -25.2 46 49 A K E - 0 0 40 433,-2.7 18,-0.3 1,-0.4 2,-0.3 0.796 55.1 -0.5-110.1 -44.6 3.5 21.9 -22.9 47 50 A T E -B 479 0B 38 432,-0.5 432,-2.0 17,-0.1 -1,-0.4 -0.953 57.2-156.8-146.7 160.7 2.2 19.3 -20.4 48 51 A A E -BC 478 59B 2 11,-2.1 11,-2.9 -2,-0.3 2,-0.4 -0.999 7.0-167.4-146.1 143.1 2.9 15.7 -19.6 49 52 A V E -BC 477 58B 49 428,-2.4 428,-2.4 -2,-0.3 2,-0.4 -1.000 9.8-174.3-130.5 124.4 1.1 12.8 -18.0 50 53 A I E -BC 476 57B 1 7,-2.8 7,-2.7 -2,-0.4 2,-0.3 -0.995 17.9-139.2-121.4 122.3 3.0 9.7 -16.9 51 54 A T E BC 475 56B 42 424,-1.7 423,-3.0 -2,-0.4 424,-0.7 -0.655 360.0 360.0 -83.1 138.6 1.2 6.6 -15.6 52 55 A V 0 0 20 3,-2.4 421,-0.2 -2,-0.3 419,-0.0 -0.702 360.0 360.0-105.7 360.0 2.9 4.8 -12.6 53 ! 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 54 58 A G 0 0 105 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 6.3 -2.8 2.9 -11.4 55 59 A K - 0 0 84 -4,-0.1 -3,-2.4 1,-0.1 2,-0.3 0.111 360.0-135.9 -59.4 169.4 -1.5 6.4 -10.2 56 60 A T E -C 51 0B 52 -5,-0.2 2,-0.4 2,-0.0 -5,-0.2 -0.963 6.7-149.1-135.9 148.9 -0.3 9.3 -12.4 57 61 A I E -C 50 0B 2 -7,-2.7 -7,-2.8 -2,-0.3 2,-0.4 -0.972 24.7-163.7-112.3 130.0 2.5 11.9 -12.5 58 62 A Q E -C 49 0B 128 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.964 19.8-164.2-124.9 134.8 1.6 15.2 -14.0 59 63 A F E -C 48 0B 2 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.0 -0.955 21.8-163.1-112.4 101.8 3.7 18.0 -15.3 60 64 A G > - 0 0 40 -2,-0.6 4,-2.6 -13,-0.2 3,-0.4 -0.197 43.1 -77.3 -71.4 173.9 1.3 21.0 -15.6 61 65 A E H > S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.821 131.4 38.4 -45.9 -45.0 2.3 24.0 -17.7 62 66 A E H > S+ 0 0 131 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.798 113.6 54.5 -81.4 -27.1 4.7 25.6 -15.3 63 67 A M H > S+ 0 0 42 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.886 109.5 50.4 -68.4 -38.9 6.2 22.3 -14.1 64 68 A M H X S+ 0 0 1 -4,-2.6 4,-1.8 -18,-0.3 -2,-0.2 0.883 106.7 53.1 -67.1 -42.5 6.9 21.6 -17.8 65 69 A K H < S+ 0 0 41 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.838 112.9 44.7 -62.3 -36.7 8.6 25.0 -18.4 66 70 A R H >< S+ 0 0 89 -4,-1.5 3,-1.4 2,-0.2 -2,-0.2 0.919 111.9 52.6 -71.3 -45.9 10.9 24.2 -15.4 67 71 A A H 3< S+ 0 0 0 -4,-2.4 227,-1.0 1,-0.3 226,-0.3 0.775 112.2 46.1 -58.9 -31.6 11.5 20.5 -16.7 68 72 A L T 3< S+ 0 0 0 -4,-1.8 625,-2.2 225,-0.2 624,-1.3 0.385 105.2 81.0 -93.4 0.8 12.5 21.9 -20.1 69 73 A Q S < S- 0 0 20 -3,-1.4 224,-0.2 623,-0.3 225,-0.1 -0.691 90.5 -86.1-110.3 159.6 14.8 24.6 -18.6 70 74 A Y - 0 0 50 -2,-0.2 623,-0.1 -32,-0.1 -1,-0.1 -0.202 48.2-175.7 -54.7 150.2 18.4 24.7 -17.2 71 75 A S - 0 0 23 220,-0.1 5,-0.1 1,-0.1 222,-0.0 -0.875 36.1 -56.0-145.8 169.6 18.7 23.7 -13.5 72 76 A P > - 0 0 64 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.206 43.6-124.9 -57.7 145.8 21.6 23.6 -10.9 73 77 A S T 3 S+ 0 0 17 1,-0.2 3,-0.1 217,-0.2 215,-0.1 0.765 110.0 51.5 -54.1 -37.8 24.7 21.5 -11.7 74 78 A A T 3 S- 0 0 19 1,-0.3 35,-3.2 34,-0.1 -1,-0.2 0.578 122.9 -91.7 -81.6 -11.8 24.4 19.5 -8.4 75 79 A G < - 0 0 1 -3,-1.2 -1,-0.3 33,-0.2 218,-0.1 -0.525 54.1 -47.8 122.7 170.4 20.7 18.6 -9.1 76 80 A I > - 0 0 0 -2,-0.2 4,-2.2 1,-0.1 3,-0.4 -0.504 54.6-122.4 -73.4 140.4 17.2 20.0 -8.4 77 81 A P H > S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.844 107.2 54.1 -58.6 -35.5 16.8 20.9 -4.6 78 82 A E H > S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.844 111.4 44.8 -68.3 -33.9 13.8 18.5 -3.9 79 83 A L H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.918 113.4 51.8 -74.2 -41.0 15.6 15.5 -5.3 80 84 A L H X S+ 0 0 39 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.892 111.6 45.4 -59.8 -46.4 18.8 16.5 -3.3 81 85 A S H X S+ 0 0 68 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.885 113.6 49.5 -68.4 -37.1 17.0 16.8 -0.0 82 86 A W H X S+ 0 0 58 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.912 114.1 45.3 -66.3 -43.0 15.0 13.5 -0.5 83 87 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.860 110.4 54.7 -69.2 -34.0 18.3 11.7 -1.4 84 88 A K H X S+ 0 0 64 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.916 110.5 45.5 -64.4 -43.5 20.1 13.3 1.6 85 89 A Q H X S+ 0 0 91 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.830 110.0 55.5 -67.6 -35.7 17.3 12.1 4.0 86 90 A L H X S+ 0 0 5 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.937 109.0 47.0 -61.4 -46.4 17.5 8.6 2.3 87 91 A Q H X>S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.8 0.872 112.8 49.2 -62.9 -42.0 21.3 8.4 3.1 88 92 A I H X5S+ 0 0 38 -4,-1.9 4,-1.3 3,-0.2 -1,-0.2 0.920 114.9 43.9 -65.2 -45.0 20.8 9.6 6.7 89 93 A K H <5S+ 0 0 120 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 123.8 35.8 -67.5 -40.9 18.0 7.0 7.3 90 94 A L H <5S+ 0 0 35 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.847 139.1 11.1 -80.1 -41.2 19.9 4.1 5.6 91 95 A H H <5S- 0 0 8 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.556 72.4-155.5-118.5 -15.8 23.5 4.9 6.5 92 96 A N << - 0 0 113 -4,-1.3 -4,-0.2 -5,-0.8 -3,-0.1 0.876 28.5-148.0 35.6 60.9 23.4 7.6 9.3 93 97 A P > - 0 0 2 0, 0.0 3,-1.8 0, 0.0 151,-0.2 -0.415 14.6-131.1 -65.3 138.6 27.0 8.6 8.3 94 98 A P T 3 S+ 0 0 47 0, 0.0 3,-0.4 0, 0.0 153,-0.1 0.723 103.1 66.0 -55.6 -22.6 29.2 10.0 11.1 95 99 A T T > + 0 0 3 151,-0.3 3,-1.6 1,-0.2 10,-1.2 0.463 67.2 102.6 -79.6 -7.7 30.1 13.0 8.8 96 100 A I T < S+ 0 0 13 -3,-1.8 -1,-0.2 1,-0.3 7,-0.0 0.871 94.0 27.0 -44.4 -55.9 26.6 14.6 8.7 97 101 A H T 3 S+ 0 0 171 -3,-0.4 -1,-0.3 7,-0.1 -2,-0.1 0.158 90.8 122.0-100.0 19.2 27.3 17.4 11.2 98 102 A Y S < S- 0 0 65 -3,-1.6 5,-0.1 5,-0.1 6,-0.1 -0.477 76.5 -96.1 -72.2 151.1 31.1 17.7 10.6 99 103 A P > > - 0 0 63 0, 0.0 3,-1.3 0, 0.0 5,-0.9 -0.341 39.7-107.3 -63.5 153.0 32.2 21.2 9.5 100 104 A P G > 5S+ 0 0 63 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.862 119.7 53.2 -50.8 -40.7 32.6 21.5 5.7 101 105 A S G 3 5S+ 0 0 81 1,-0.3 -98,-0.2 2,-0.2 -3,-0.0 0.754 104.2 57.6 -65.4 -26.4 36.4 21.5 5.7 102 106 A Q G < 5S- 0 0 101 -3,-1.3 -1,-0.3 -100,-0.1 -4,-0.0 0.220 132.3 -87.8 -88.8 10.3 36.4 18.3 7.9 103 107 A G T < 5 - 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