==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-DEC-08 3FGP . COMPND 2 MOLECULE: CYSTEINE SYNTHASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.AGREN,R.SCHNELL,G.SCHNEIDER . 636 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 3.9 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 . 48 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.5 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 1 3 4 0 1 1 4 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 4 1 7 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 PARALLEL BRIDGES PER LADDER . 8 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 R 0 0 154 0, 0.0 2,-0.4 0, 0.0 330,-0.2 0.000 360.0 360.0 360.0 -11.5 -13.3 2.1 9.4 2 4 A Y B -a 331 0A 56 328,-2.8 330,-3.5 1,-0.1 3,-0.1 -0.974 360.0-166.2-124.9 138.7 -16.7 3.8 9.0 3 5 A D S S+ 0 0 74 -2,-0.4 331,-0.4 1,-0.2 2,-0.3 0.515 85.6 23.6 -88.4 -10.4 -17.5 7.5 9.0 4 6 A S S >> S- 0 0 34 329,-0.1 3,-1.4 1,-0.1 4,-0.6 -0.988 75.2-121.2-156.7 144.4 -21.2 6.6 9.4 5 7 A L G >4 S+ 0 0 3 -2,-0.3 3,-1.4 567,-0.3 -1,-0.1 0.834 110.2 67.5 -51.9 -36.4 -23.3 3.7 10.7 6 8 A L G 34 S+ 0 0 31 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.756 91.7 58.9 -63.5 -25.8 -24.9 3.5 7.2 7 9 A Q G <4 S+ 0 0 96 -3,-1.4 2,-1.1 1,-0.2 -1,-0.3 0.758 93.3 69.0 -68.1 -26.7 -21.6 2.3 5.7 8 10 A A S << S+ 0 0 11 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 -0.315 80.1 113.3 -87.9 47.3 -21.7 -0.7 8.2 9 11 A L - 0 0 35 -2,-1.1 34,-0.1 -3,-0.3 -3,-0.0 -0.886 67.3 -0.2-124.7 146.7 -24.7 -2.1 6.3 10 12 A G S S+ 0 0 12 -2,-0.3 152,-0.0 30,-0.1 153,-0.0 -0.205 75.9 102.6 68.5-160.9 -24.8 -5.3 4.2 11 13 A N + 0 0 110 1,-0.1 -1,-0.1 151,-0.1 152,-0.0 0.875 61.1 177.1 47.4 43.6 -21.8 -7.6 3.8 12 14 A T - 0 0 2 1,-0.1 -1,-0.1 26,-0.0 28,-0.1 -0.393 31.5 -92.5 -77.3 152.7 -23.4 -9.9 6.4 13 15 A P - 0 0 15 0, 0.0 26,-3.1 0, 0.0 2,-0.5 -0.318 24.5-152.9 -60.8 139.2 -22.0 -13.3 7.5 14 16 A L E -Hi 38 317B 0 302,-2.8 304,-2.8 24,-0.2 2,-0.5 -0.987 21.2-169.5-111.9 118.5 -23.0 -16.6 5.9 15 17 A V E -Hi 37 318B 1 22,-3.0 22,-3.6 -2,-0.5 304,-0.2 -0.929 18.5-130.0-121.1 124.9 -22.6 -19.3 8.4 16 18 A G E -H 36 0B 1 302,-2.9 2,-0.9 -2,-0.5 20,-0.2 -0.478 12.7-142.8 -71.4 137.6 -22.8 -23.1 7.8 17 19 A L > + 0 0 1 18,-2.7 4,-1.8 1,-0.2 18,-0.4 -0.774 26.3 172.6-103.2 83.9 -25.1 -25.0 10.2 18 20 A Q T 4 S+ 0 0 88 -2,-0.9 6,-0.4 301,-0.4 -1,-0.2 0.832 75.6 39.9 -65.2 -33.3 -23.1 -28.2 10.6 19 21 A R T 4 S+ 0 0 128 236,-0.2 -1,-0.2 -3,-0.1 237,-0.1 0.873 119.2 42.0 -83.9 -46.0 -25.3 -29.7 13.3 20 22 A L T 4 S+ 0 0 12 232,-0.1 -2,-0.2 15,-0.1 -1,-0.1 0.678 90.2 105.0 -79.2 -21.5 -28.8 -28.8 12.0 21 23 A S S < S- 0 0 10 -4,-1.8 3,-0.4 14,-0.2 13,-0.1 -0.385 79.0-125.6 -56.7 135.0 -28.0 -29.6 8.4 22 24 A P S S- 0 0 47 0, 0.0 2,-0.2 0, 0.0 12,-0.1 0.926 99.5 -3.3 -44.5 -51.8 -29.5 -32.9 7.1 23 25 A R B +J 33 0B 65 10,-2.1 10,-2.5 1,-0.1 -4,-0.1 -0.744 63.2 175.2-149.1 103.2 -26.0 -34.0 6.0 24 26 A W S S+ 0 0 20 -3,-0.4 2,-0.5 -6,-0.4 8,-0.1 0.920 70.7 57.4 -66.2 -44.3 -23.0 -31.7 6.4 25 27 A D S S- 0 0 111 -7,-0.1 -1,-0.1 6,-0.1 2,-0.1 -0.780 82.4-126.1-102.4 125.9 -20.4 -34.2 5.3 26 28 A D + 0 0 93 -2,-0.5 2,-0.2 6,-0.1 -2,-0.0 -0.426 44.1 165.0 -58.0 137.7 -20.4 -36.0 2.0 27 29 A G B > -O 30 0C 39 3,-2.2 3,-0.6 -2,-0.1 -1,-0.0 -0.760 56.4 -88.9-139.4-171.0 -20.1 -39.7 2.7 28 30 A R T 3 S+ 0 0 253 -2,-0.2 -2,-0.1 1,-0.2 -1,-0.0 0.677 121.4 69.5 -78.3 -17.5 -20.6 -43.0 0.9 29 31 A D T 3 S- 0 0 137 1,-0.3 -1,-0.2 0, 0.0 -3,-0.1 0.665 122.4 -82.9 -69.3 -15.7 -24.3 -42.8 2.0 30 32 A G B < -O 27 0C 16 -3,-0.6 -3,-2.2 254,-0.0 -1,-0.3 -0.763 63.0 -33.8 136.8 179.1 -24.4 -40.0 -0.5 31 33 A P - 0 0 41 0, 0.0 -6,-0.1 0, 0.0 251,-0.1 -0.180 66.0 -87.5 -70.7 159.4 -23.8 -36.3 -1.1 32 34 A H - 0 0 19 -8,-0.1 253,-2.2 252,-0.1 2,-0.4 -0.222 22.8-160.4 -63.3 148.9 -24.1 -33.4 1.4 33 35 A V E -Jk 23 285B 0 -10,-2.5 -10,-2.1 251,-0.2 2,-0.4 -0.909 27.7-172.2-129.4 99.9 -27.3 -31.5 2.1 34 36 A R E - k 0 286B 39 251,-3.1 253,-3.4 -2,-0.4 2,-0.4 -0.808 20.5-152.7-111.9 139.3 -26.0 -28.2 3.7 35 37 A L E - k 0 287B 0 -18,-0.4 -18,-2.7 -2,-0.4 2,-0.4 -0.885 11.0-169.9-105.5 134.4 -27.7 -25.3 5.3 36 38 A W E -Hk 16 288B 0 251,-2.5 253,-2.8 -2,-0.4 2,-0.6 -0.988 12.9-144.7-130.6 121.9 -26.1 -21.9 5.3 37 39 A A E -Hk 15 289B 0 -22,-3.6 -22,-3.0 -2,-0.4 2,-0.8 -0.770 1.8-152.1 -97.3 120.1 -27.4 -19.1 7.4 38 40 A K E -Hk 14 290B 0 251,-3.0 253,-2.5 -2,-0.6 2,-1.7 -0.812 17.9-144.4 -90.2 108.0 -27.3 -15.5 6.1 39 41 A L E > + k 0 291B 2 -26,-3.1 3,-1.4 -2,-0.8 253,-0.1 -0.497 34.0 161.7 -88.5 82.4 -27.1 -13.3 9.2 40 42 A E G > + 0 0 0 251,-1.7 3,-0.8 -2,-1.7 -1,-0.2 0.500 65.2 80.0 -77.4 -4.3 -29.1 -10.2 8.4 41 43 A D G 3 S+ 0 0 36 250,-0.4 -1,-0.3 1,-0.2 253,-0.1 0.631 76.0 77.8 -73.4 -11.0 -29.4 -9.4 12.2 42 44 A R G < S+ 0 0 29 -3,-1.4 -1,-0.2 -29,-0.1 -2,-0.1 0.133 74.1 106.0 -86.9 24.2 -25.9 -8.1 11.8 43 45 A N S X S- 0 0 0 -3,-0.8 3,-3.0 -34,-0.1 -34,-0.1 -0.688 91.2 -90.1 -96.9 159.1 -27.3 -4.9 10.2 44 46 A P T 3 S+ 0 0 10 0, 0.0 531,-0.4 0, 0.0 -35,-0.1 0.716 126.6 27.5 -38.5 -49.1 -27.4 -1.4 12.0 45 47 A T T 3 S- 0 0 2 2,-0.3 3,-0.1 529,-0.1 -3,-0.1 0.222 121.2-100.6-100.9 9.2 -30.9 -1.8 13.5 46 48 A G S < S+ 0 0 12 -3,-3.0 248,-0.6 1,-0.2 2,-0.3 0.657 87.4 85.1 87.3 19.2 -30.7 -5.7 13.6 47 49 A S B > S-P 293 0D 0 246,-0.2 3,-1.3 32,-0.1 -2,-0.3 -0.969 83.2-111.6-148.5 161.9 -32.7 -6.6 10.6 48 50 A I T > S+ 0 0 1 244,-1.8 3,-1.5 -2,-0.3 245,-0.1 0.680 103.0 81.8 -58.9 -22.0 -32.7 -7.2 6.9 49 51 A X T 3> S+ 0 0 17 243,-0.3 4,-2.1 1,-0.3 -1,-0.2 0.681 70.6 77.9 -69.7 -13.1 -34.9 -4.1 6.5 50 52 A D H <> S+ 0 0 0 -3,-1.3 4,-2.1 1,-0.2 -1,-0.3 0.847 91.8 56.9 -57.6 -35.2 -31.9 -1.7 6.7 51 53 A R H <> S+ 0 0 11 -3,-1.5 4,-2.1 -4,-0.2 -2,-0.2 0.981 112.6 33.2 -63.0 -61.3 -31.2 -2.7 3.1 52 54 A P H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.873 117.1 58.2 -63.7 -33.9 -34.4 -1.7 1.4 53 55 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.945 110.1 42.0 -59.0 -53.1 -34.9 1.3 3.8 54 56 A V H X S+ 0 0 16 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.914 118.1 46.7 -60.2 -42.2 -31.6 2.8 2.9 55 57 A R H X S+ 0 0 72 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.856 108.0 54.4 -74.1 -35.7 -32.2 2.1 -0.8 56 58 A M H X S+ 0 0 0 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.895 111.8 45.6 -63.3 -39.2 -35.7 3.4 -0.9 57 59 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.967 113.6 49.5 -66.4 -52.6 -34.6 6.8 0.6 58 60 A E H X S+ 0 0 88 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.889 112.2 48.1 -46.2 -50.6 -31.6 6.9 -1.9 59 61 A Q H X S+ 0 0 62 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.899 109.3 52.0 -62.8 -46.6 -33.9 6.2 -4.8 60 62 A A H <>S+ 0 0 6 -4,-2.1 5,-2.3 2,-0.2 6,-1.1 0.840 109.2 51.8 -55.4 -39.1 -36.5 8.8 -3.7 61 63 A E H ><5S+ 0 0 70 -4,-2.2 3,-1.5 4,-0.2 -2,-0.2 0.959 110.3 48.0 -61.3 -50.9 -33.6 11.3 -3.6 62 64 A A H 3<5S+ 0 0 78 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.868 108.5 53.8 -55.6 -43.3 -32.5 10.3 -7.1 63 65 A D T 3<5S- 0 0 97 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.543 115.9-116.6 -72.3 -7.9 -36.1 10.7 -8.4 64 66 A G T < 5S+ 0 0 38 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.621 84.0 119.5 82.4 14.9 -36.2 14.3 -6.9 65 67 A L < + 0 0 81 -5,-2.3 2,-0.5 -6,-0.2 -4,-0.2 0.754 65.0 57.0 -81.3 -26.3 -39.0 13.3 -4.5 66 68 A L + 0 0 11 -6,-1.1 -2,-0.2 -9,-0.1 -1,-0.2 -0.946 59.6 168.0-117.8 118.7 -36.9 14.1 -1.4 67 69 A R > - 0 0 159 -2,-0.5 3,-2.3 76,-0.1 -6,-0.0 -0.806 55.4 -77.1-119.0 165.8 -35.4 17.5 -0.7 68 70 A P T 3 S+ 0 0 115 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.620 125.2 42.5 -34.8 -45.7 -33.8 18.7 2.7 69 71 A G T 3 S+ 0 0 57 24,-0.1 24,-0.1 2,-0.1 23,-0.0 0.260 86.4 131.9 -92.1 13.0 -37.0 19.5 4.7 70 72 A A < - 0 0 5 -3,-2.3 24,-2.2 1,-0.1 2,-0.5 -0.246 45.7-148.3 -72.2 147.5 -39.0 16.4 3.6 71 73 A T E -qr 94 144E 10 72,-2.1 74,-2.3 22,-0.2 2,-0.4 -0.965 12.8-143.4-109.9 129.8 -40.9 14.1 5.9 72 74 A I E -qr 95 145E 0 22,-3.5 24,-3.1 -2,-0.5 2,-0.4 -0.755 13.4-159.2 -85.1 139.3 -41.2 10.4 4.9 73 75 A L E +qr 96 146E 0 72,-2.5 74,-0.8 -2,-0.4 75,-0.3 -0.993 16.7 169.0-118.0 128.3 -44.5 8.8 5.7 74 76 A E E -q 97 0E 0 22,-2.4 24,-2.1 -2,-0.4 2,-0.8 -0.971 35.1-132.5-144.1 132.2 -44.7 5.0 5.9 75 77 A P E +q 98 0E 6 0, 0.0 2,-0.3 0, 0.0 24,-0.2 -0.682 58.9 125.3 -76.4 109.6 -47.3 2.6 7.2 76 78 A T + 0 0 13 22,-1.1 -2,-0.1 -2,-0.8 0, 0.0 -0.919 37.5 175.6-166.8 139.4 -45.3 0.2 9.4 77 79 A S S S+ 0 0 40 -2,-0.3 34,-0.1 22,-0.0 -1,-0.1 0.424 75.3 54.9-114.4 -12.7 -45.3 -1.1 12.9 78 80 A G S >> S- 0 0 25 3,-0.0 4,-1.2 138,-0.0 3,-0.7 0.212 110.3 -40.6-107.3-143.2 -42.4 -3.5 12.4 79 81 A N H 3> S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.768 123.3 60.2 -66.5 -30.4 -38.9 -3.7 11.2 80 82 A T H 3> S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.880 102.3 54.9 -65.2 -37.1 -39.2 -1.3 8.3 81 83 A G H <> S+ 0 0 0 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.930 109.9 45.4 -57.2 -49.0 -40.2 1.5 10.6 82 84 A I H X S+ 0 0 8 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.877 115.6 47.2 -62.3 -44.8 -37.1 1.0 12.8 83 85 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.919 113.3 47.0 -62.7 -47.8 -34.9 0.8 9.7 84 86 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.821 110.2 55.0 -69.0 -29.7 -36.5 3.9 8.1 85 87 A A H X S+ 0 0 3 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.935 112.0 42.1 -65.2 -49.6 -36.2 5.8 11.4 86 88 A M H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.949 120.6 42.9 -61.6 -47.8 -32.5 5.2 11.7 87 89 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.904 112.5 50.6 -69.9 -46.2 -31.9 5.9 8.0 88 90 A A H X>S+ 0 0 1 -4,-2.9 5,-2.7 1,-0.2 4,-0.9 0.959 111.6 50.6 -55.9 -51.9 -34.2 9.0 7.7 89 91 A R H <5S+ 0 0 55 -4,-1.9 3,-0.4 -5,-0.3 -1,-0.2 0.852 110.2 47.0 -48.8 -49.9 -32.5 10.5 10.7 90 92 A L H <5S+ 0 0 44 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.803 115.2 47.1 -71.0 -26.7 -28.9 10.0 9.5 91 93 A K H <5S- 0 0 58 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.543 119.8-112.6 -88.7 -8.9 -29.9 11.4 6.1 92 94 A G T <5S+ 0 0 49 -4,-0.9 -3,-0.2 -3,-0.4 2,-0.2 0.733 71.6 127.0 85.0 26.3 -31.7 14.4 7.8 93 95 A Y < - 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