==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-DEC-12 3ZEI . COMPND 2 MOLECULE: O-ACETYLSERINE SULFHYDRYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR O.POYRAZ,R.SCHNELL,G.SCHNEIDER . 300 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.7 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 . 0 0.0 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 . 19 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 0 2 1 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 4 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 PARALLEL BRIDGES PER LADDER . 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 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 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 0 219 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.6 -20.9 -31.5 -10.3 2 2 A S + 0 0 132 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.801 360.0 137.4-117.0 91.0 -20.6 -28.0 -8.8 3 3 A I - 0 0 119 -2,-0.6 2,-0.2 0, 0.0 3,-0.0 -0.998 47.4-132.6-136.6 124.3 -18.4 -26.0 -10.9 4 4 A A - 0 0 34 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.510 9.4-139.3 -76.4 148.3 -19.1 -22.4 -11.9 5 5 A E S S- 0 0 160 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.837 83.7 -7.9 -75.5 -36.5 -18.6 -21.5 -15.6 6 6 A D S > S- 0 0 51 1,-0.0 3,-1.8 -3,-0.0 -1,-0.2 -0.949 79.7 -93.3-150.8 174.0 -17.0 -18.2 -14.7 7 7 A I G > S+ 0 0 69 1,-0.3 3,-2.2 -2,-0.3 75,-0.1 0.793 115.1 67.4 -61.8 -30.7 -16.3 -16.0 -11.6 8 8 A T G > S+ 0 0 15 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.683 91.5 62.1 -69.0 -13.8 -19.5 -14.0 -12.0 9 9 A Q G < S+ 0 0 97 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.502 97.4 59.9 -85.1 -1.5 -21.6 -17.1 -11.2 10 10 A L G < S+ 0 0 97 -3,-2.2 2,-0.3 -4,-0.1 -1,-0.2 0.103 78.5 116.9-110.8 15.5 -19.9 -17.0 -7.7 11 11 A I < + 0 0 14 -3,-0.8 2,-0.1 27,-0.1 27,-0.1 -0.637 69.6 2.3 -83.0 141.6 -21.2 -13.6 -6.8 12 12 A G + 0 0 10 -2,-0.3 145,-0.0 23,-0.2 -3,-0.0 -0.390 68.0 113.3 84.6-160.6 -23.6 -13.3 -3.8 13 13 A R + 0 0 152 1,-0.2 -1,-0.1 -2,-0.1 145,-0.0 0.942 53.2 174.4 53.7 49.4 -24.8 -16.1 -1.5 14 14 A T - 0 0 2 1,-0.1 -1,-0.2 19,-0.0 21,-0.1 -0.630 25.2-112.7 -92.9 151.9 -22.8 -14.5 1.4 15 15 A P - 0 0 45 0, 0.0 19,-2.5 0, 0.0 2,-0.4 -0.288 13.1-126.6 -86.8 162.4 -23.1 -15.8 4.9 16 16 A L E -A 33 0A 46 17,-0.2 2,-0.3 -2,-0.1 17,-0.2 -0.834 23.2-169.8 -97.2 139.0 -24.6 -14.5 8.2 17 17 A V E -A 32 0A 53 15,-2.5 15,-3.7 -2,-0.4 2,-0.4 -0.993 20.7-126.0-127.5 139.9 -22.4 -14.4 11.4 18 18 A R E -A 31 0A 139 -2,-0.3 2,-0.4 13,-0.3 13,-0.2 -0.694 23.5-127.2 -80.8 133.6 -23.6 -13.7 15.0 19 19 A L + 0 0 6 11,-2.6 11,-0.3 -2,-0.4 240,-0.1 -0.706 31.8 174.4 -80.0 135.1 -21.8 -10.9 16.8 20 20 A R S S+ 0 0 144 -2,-0.4 -1,-0.1 238,-0.1 3,-0.1 0.768 72.8 17.4-111.0 -41.0 -20.5 -12.2 20.2 21 21 A R S S+ 0 0 135 1,-0.2 2,-2.3 237,-0.1 3,-0.3 0.752 109.3 70.2-109.7 -36.5 -18.4 -9.4 21.7 22 22 A V S S+ 0 0 0 1,-0.2 -1,-0.2 233,-0.1 -3,-0.1 -0.472 77.1 98.0 -83.9 67.8 -19.3 -6.2 19.8 23 23 A T > + 0 0 42 -2,-2.3 3,-2.6 -3,-0.1 -1,-0.2 0.103 48.4 171.4-144.0 22.4 -22.7 -6.3 21.5 24 24 A D T 3 S- 0 0 80 -3,-0.3 255,-0.1 1,-0.3 -3,-0.0 -0.173 76.2 -7.1 -54.9 117.3 -22.5 -3.9 24.5 25 25 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 253,-0.0 2,-0.2 0.473 93.1 152.6 80.0 4.2 -25.9 -3.4 26.1 26 26 A A < + 0 0 29 -3,-2.6 253,-0.3 1,-0.1 -1,-0.2 -0.453 26.2 175.7 -69.5 138.1 -27.8 -5.3 23.4 27 27 A V + 0 0 71 251,-3.1 258,-2.5 -2,-0.2 2,-0.3 0.312 68.0 68.9-113.3 -2.4 -31.0 -7.0 24.2 28 28 A A S S- 0 0 10 250,-0.7 2,-0.3 256,-0.2 259,-0.2 -0.815 93.0-104.4-109.4 157.1 -31.6 -8.1 20.6 29 29 A D E - b 0 287A 52 257,-2.6 259,-3.0 -2,-0.3 2,-0.6 -0.644 34.6-155.6 -76.8 131.9 -29.7 -10.6 18.6 30 30 A I E + b 0 288A 2 -2,-0.3 -11,-2.6 -11,-0.3 2,-0.4 -0.953 14.1 178.6-112.7 119.8 -27.3 -9.0 16.1 31 31 A V E -Ab 18 289A 9 257,-3.3 259,-3.0 -2,-0.6 2,-0.4 -0.960 16.4-143.4-120.4 143.8 -26.2 -10.9 13.1 32 32 A A E -Ab 17 290A 0 -15,-3.7 -15,-2.5 -2,-0.4 2,-0.6 -0.869 4.9-143.3-110.5 134.5 -23.9 -9.6 10.3 33 33 A K E -Ab 16 291A 0 257,-2.5 259,-2.4 -2,-0.4 2,-1.4 -0.866 21.3-141.9 -95.7 117.2 -24.2 -10.3 6.6 34 34 A L E > + b 0 292A 8 -19,-2.5 3,-2.2 -2,-0.6 4,-0.1 -0.590 26.8 173.6 -90.2 79.9 -20.6 -10.5 5.3 35 35 A E G > S+ 0 0 0 257,-1.4 3,-1.6 -2,-1.4 -1,-0.2 0.667 71.5 79.0 -59.7 -16.9 -20.6 -8.9 1.8 36 36 A F G 3 S+ 0 0 25 256,-0.5 -1,-0.3 1,-0.2 5,-0.3 0.630 73.9 76.9 -65.8 -11.5 -16.8 -9.3 1.8 37 37 A F G < S+ 0 0 125 -3,-2.2 -1,-0.2 -22,-0.1 -2,-0.2 0.638 71.9 106.7 -72.5 -14.5 -17.3 -13.0 0.9 38 38 A N S X S- 0 0 1 -3,-1.6 3,-2.6 -4,-0.1 -27,-0.1 -0.289 91.8-101.8 -56.7 150.8 -18.0 -11.8 -2.7 39 39 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -28,-0.1 0.764 122.6 35.2 -56.0 -33.7 -15.2 -12.5 -5.2 40 40 A A T 3 S- 0 0 3 2,-0.3 4,-0.1 34,-0.0 -3,-0.1 0.045 119.2-107.0-109.4 21.7 -13.8 -9.0 -5.2 41 41 A N S < S+ 0 0 53 -3,-2.6 254,-1.7 -5,-0.3 2,-0.3 0.583 83.8 82.1 75.1 17.0 -14.6 -8.4 -1.5 42 42 A S B > S-F 294 0B 0 252,-0.2 3,-1.2 -7,-0.1 -2,-0.3 -0.984 82.1-113.5-146.8 164.2 -17.5 -6.0 -1.6 43 43 A V T >> S+ 0 0 9 250,-1.9 3,-1.8 -2,-0.3 4,-0.5 0.719 103.9 79.3 -58.3 -27.7 -21.3 -5.9 -2.1 44 44 A K H 3> S+ 0 0 28 1,-0.3 4,-2.4 249,-0.2 3,-0.4 0.727 73.1 77.1 -64.5 -22.2 -20.7 -4.0 -5.4 45 45 A D H <> S+ 0 0 0 -3,-1.2 4,-2.0 1,-0.2 -1,-0.3 0.865 90.6 57.9 -48.2 -38.7 -20.0 -7.3 -7.2 46 46 A R H <> S+ 0 0 1 -3,-1.8 4,-1.7 -4,-0.2 -1,-0.2 0.879 111.8 37.0 -64.5 -42.5 -23.7 -7.9 -7.1 47 47 A I H X S+ 0 0 1 -4,-0.5 4,-2.5 -3,-0.4 5,-0.3 0.743 110.6 61.8 -85.0 -23.6 -24.6 -4.7 -9.0 48 48 A G H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.961 114.2 35.1 -58.5 -53.5 -21.5 -5.0 -11.3 49 49 A V H X S+ 0 0 8 -4,-2.0 4,-3.1 -5,-0.2 -2,-0.2 0.924 119.2 51.5 -68.4 -42.5 -22.8 -8.3 -12.7 50 50 A A H X S+ 0 0 6 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.877 107.5 49.4 -69.4 -42.4 -26.4 -7.3 -12.5 51 51 A M H X S+ 0 0 1 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.865 115.7 45.4 -63.8 -36.7 -26.2 -4.0 -14.4 52 52 A L H X S+ 0 0 0 -4,-1.3 4,-2.8 -5,-0.3 -2,-0.2 0.925 112.4 50.8 -72.3 -44.0 -24.2 -5.8 -17.2 53 53 A Q H X S+ 0 0 69 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.917 110.0 50.0 -53.2 -50.2 -26.7 -8.8 -17.3 54 54 A A H X S+ 0 0 35 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.886 111.8 48.1 -59.2 -42.6 -29.6 -6.4 -17.6 55 55 A A H <>S+ 0 0 3 -4,-1.6 5,-2.9 2,-0.2 6,-0.5 0.926 113.6 48.1 -61.3 -45.1 -27.8 -4.5 -20.5 56 56 A E H ><5S+ 0 0 57 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.920 111.8 48.5 -60.4 -47.4 -27.1 -7.9 -22.1 57 57 A Q H 3<5S+ 0 0 155 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.712 111.7 50.5 -70.0 -21.6 -30.7 -9.1 -21.7 58 58 A A T 3<5S- 0 0 69 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.318 115.0-116.4 -98.2 7.8 -32.0 -5.9 -23.1 59 59 A G T < 5S+ 0 0 39 -3,-1.5 -3,-0.2 -4,-0.1 -2,-0.1 0.800 76.1 128.9 67.8 34.3 -29.7 -6.1 -26.2 60 60 A L < + 0 0 88 -5,-2.9 2,-0.6 -6,-0.1 -4,-0.2 0.573 46.2 85.1 -98.4 -12.0 -27.8 -2.9 -25.3 61 61 A I - 0 0 36 -6,-0.5 -2,-0.0 -5,-0.1 -9,-0.0 -0.846 62.4-173.1 -94.7 122.1 -24.3 -4.5 -25.6 62 62 A K > - 0 0 119 -2,-0.6 3,-1.8 76,-0.2 -2,-0.1 -0.638 42.0 -95.5-109.7 167.4 -23.1 -4.3 -29.2 63 63 A P T 3 S+ 0 0 144 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.776 127.1 37.6 -57.3 -25.9 -19.9 -5.9 -30.7 64 64 A D T 3 S+ 0 0 92 2,-0.1 -3,-0.0 75,-0.0 74,-0.0 0.250 86.1 135.2-108.4 9.0 -18.0 -2.6 -30.2 65 65 A T < - 0 0 22 -3,-1.8 24,-0.5 74,-0.1 2,-0.4 -0.303 37.1-160.0 -58.4 139.9 -19.5 -1.5 -26.9 66 66 A I E -gh 89 139C 5 72,-2.5 74,-3.2 22,-0.1 2,-0.4 -0.992 18.1-127.5-120.0 130.7 -17.1 -0.1 -24.2 67 67 A I E -gh 90 140C 1 22,-2.8 24,-3.2 -2,-0.4 2,-0.4 -0.636 32.2-178.3 -77.8 130.0 -18.2 -0.1 -20.5 68 68 A L E +g 91 0C 0 72,-2.6 75,-0.3 -2,-0.4 24,-0.2 -0.990 10.4 157.5-134.9 131.7 -17.8 3.3 -18.9 69 69 A E E -g 92 0C 4 22,-1.6 24,-1.6 -2,-0.4 2,-0.7 -0.985 35.9-133.8-150.6 134.4 -18.5 4.5 -15.3 70 70 A P E +g 93 0C 19 0, 0.0 2,-0.3 0, 0.0 24,-0.2 -0.819 48.3 150.5 -83.5 118.1 -17.4 7.4 -13.1 71 71 A T - 0 0 6 22,-2.0 -2,-0.1 -2,-0.7 21,-0.0 -0.975 40.5-177.4-152.5 136.2 -16.5 5.7 -9.8 72 72 A S S S+ 0 0 47 -2,-0.3 2,-0.1 22,-0.1 22,-0.1 0.060 75.8 50.0-109.5 22.6 -14.1 6.3 -6.9 73 73 A G S >> S- 0 0 24 149,-0.0 4,-0.9 148,-0.0 3,-0.9 -0.465 107.1 -51.9-139.0-155.4 -15.3 3.1 -5.0 74 74 A N H 3> S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.728 116.1 70.7 -66.7 -26.6 -16.1 -0.5 -5.0 75 75 A T H 3> S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.887 98.0 52.2 -59.4 -36.1 -18.3 -0.3 -8.1 76 76 A G H <> S+ 0 0 1 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.897 109.9 47.4 -63.7 -39.3 -15.2 0.3 -10.2 77 77 A I H X S+ 0 0 1 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.928 114.7 46.3 -70.1 -43.2 -13.5 -2.7 -8.8 78 78 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.946 113.5 48.2 -62.6 -50.6 -16.6 -4.9 -9.3 79 79 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.917 111.4 51.2 -57.7 -43.3 -17.1 -3.5 -12.9 80 80 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.912 113.4 44.4 -59.5 -44.0 -13.4 -4.2 -13.7 81 81 A M H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.917 115.0 47.1 -65.1 -47.4 -13.6 -7.7 -12.4 82 82 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.922 112.6 50.0 -64.8 -42.4 -16.9 -8.5 -14.2 83 83 A C H X>S+ 0 0 1 -4,-3.0 4,-2.4 -5,-0.3 5,-2.4 0.897 109.7 52.1 -61.9 -40.3 -15.6 -6.9 -17.5 84 84 A A H <5S+ 0 0 53 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.902 111.5 45.5 -64.2 -41.6 -12.5 -9.0 -17.3 85 85 A A H <5S+ 0 0 43 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.910 118.8 42.8 -65.5 -41.0 -14.6 -12.2 -16.8 86 86 A R H <5S- 0 0 62 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.736 109.5-121.6 -75.4 -25.9 -16.9 -11.1 -19.7 87 87 A G T <5 + 0 0 64 -4,-2.4 2,-0.2 1,-0.3 -3,-0.2 0.753 62.6 145.5 84.8 27.9 -14.0 -9.9 -22.0 88 88 A Y < - 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0 0 50 1,-0.1 4,-1.9 3,-0.0 5,-0.1 -0.124 18.1-121.9 -60.0 155.4 -4.3 6.3 -4.6 100 100 A L H > S+ 0 0 115 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.782 113.5 61.3 -66.0 -28.5 -1.8 4.4 -6.7 101 101 A E H > S+ 0 0 144 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.962 105.6 45.7 -62.4 -50.3 -2.9 1.2 -4.9 102 102 A R H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.911 112.2 50.7 -56.5 -49.0 -6.4 1.6 -6.2 103 103 A R H X S+ 0 0 42 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.924 110.0 49.9 -58.8 -45.4 -5.2 2.4 -9.7 104 104 A M H X S+ 0 0 135 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.867 110.1 51.3 -62.0 -37.1 -3.0 -0.7 -9.7 105 105 A L H X S+ 0 0 49 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.943 111.8 45.7 -64.1 -51.3 -5.9 -2.8 -8.5 106 106 A L H ><>S+ 0 0 4 -4,-2.7 5,-2.0 1,-0.2 3,-0.6 0.921 115.7 46.7 -56.8 -43.6 -8.2 -1.6 -11.3 107 107 A R H ><5S+ 0 0 126 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.784 100.6 66.6 -71.9 -27.7 -5.4 -2.0 -14.0 108 108 A A H 3<5S+ 0 0 84 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.857 102.5 48.4 -60.4 -31.6 -4.7 -5.5 -12.6 109 109 A Y T <<5S- 0 0 74 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.464 126.6-106.0 -85.9 -0.9 -8.1 -6.4 -13.9 110 110 A G T < 5 + 0 0 52 -3,-1.7 -20,-0.4 1,-0.3 -3,-0.2 0.564 68.8 150.4 90.3 10.4 -7.3 -4.7 -17.3 111 111 A A < - 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