==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 26-JUL-11 3T4P . COMPND 2 MOLECULE: O-ACETYL SERINE SULFHYDRYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA DONOVANI; . AUTHOR I.RAJ,S.GOURINATH . 323 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.5 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 . 21 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 0 1 2 0 0 1 1 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 2 A A 0 0 97 0, 0.0 163,-0.1 0, 0.0 162,-0.0 0.000 360.0 360.0 360.0 -65.7 -10.0 8.8 -19.6 2 3 A A - 0 0 79 1,-0.0 162,-0.0 162,-0.0 0, 0.0 0.623 360.0-111.0 -80.2 157.3 -8.3 9.4 -21.9 3 4 A P + 0 0 122 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.263 41.6 177.8 -49.4 141.8 -6.2 6.1 -22.2 4 5 A F - 0 0 49 12,-0.1 2,-1.0 5,-0.0 3,-0.1 -0.917 29.5-132.1-155.9 106.5 -2.5 6.9 -21.2 5 6 A D >> - 0 0 88 -2,-0.3 3,-1.0 1,-0.2 4,-0.8 -0.607 21.7-172.2 -74.3 106.1 0.0 4.0 -21.2 6 7 A K T 34 S+ 0 0 70 -2,-1.0 -1,-0.2 1,-0.2 5,-0.1 0.721 80.2 63.2 -70.2 -26.4 1.6 4.6 -17.8 7 8 A S T 34 S+ 0 0 90 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.690 112.9 34.4 -77.7 -12.1 4.2 2.0 -18.5 8 9 A K T <4 S+ 0 0 158 -3,-1.0 2,-0.2 2,-0.0 -2,-0.2 0.465 114.0 48.5-118.7 2.1 5.5 4.0 -21.5 9 10 A N S < S- 0 0 85 -4,-0.8 2,-0.5 -3,-0.1 -5,-0.0 -0.812 76.6-110.9-135.4 169.8 5.2 7.7 -20.6 10 11 A V - 0 0 134 -2,-0.2 2,-0.1 -3,-0.0 -3,-0.1 -0.918 34.4-133.7-106.7 122.3 6.1 10.1 -17.7 11 12 A A - 0 0 31 -2,-0.5 3,-0.1 -5,-0.1 6,-0.0 -0.436 1.4-146.5 -69.9 151.1 2.9 11.4 -15.9 12 13 A Q S S+ 0 0 183 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.746 84.4 14.5 -90.2 -20.6 2.8 15.2 -15.1 13 14 A S S > S- 0 0 49 1,-0.1 3,-2.0 -3,-0.0 -1,-0.2 -0.995 77.1-115.2-151.9 155.9 0.9 14.6 -11.9 14 15 A I G > S+ 0 0 72 -2,-0.3 3,-2.3 1,-0.3 4,-0.3 0.814 108.4 71.8 -64.8 -22.9 0.1 11.6 -9.6 15 16 A D G > S+ 0 0 22 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.796 86.0 65.4 -66.6 -16.6 -3.6 11.9 -10.4 16 17 A Q G < S+ 0 0 63 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.640 92.5 63.7 -75.3 -11.2 -2.9 10.5 -13.9 17 18 A L G < S+ 0 0 65 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.488 80.7 106.6 -86.0 -8.5 -1.8 7.2 -12.3 18 19 A I S < S- 0 0 22 -3,-1.2 31,-0.1 -4,-0.3 26,-0.0 -0.502 80.5 -2.2 -71.4 143.8 -5.5 6.7 -10.9 19 20 A G S S+ 0 0 2 -2,-0.2 146,-0.0 22,-0.1 145,-0.0 -0.278 81.0 101.3 69.7-161.1 -7.5 4.0 -12.7 20 21 A Q + 0 0 56 1,-0.1 -14,-0.1 24,-0.0 -1,-0.1 0.930 64.4 171.9 38.7 53.0 -6.3 2.0 -15.6 21 22 A T - 0 0 4 1,-0.1 -1,-0.1 144,-0.0 20,-0.1 -0.439 32.2 -95.8 -86.3 163.6 -5.7 -0.7 -13.0 22 23 A P - 0 0 68 0, 0.0 18,-2.7 0, 0.0 2,-0.4 -0.176 26.1-143.4 -70.7 168.0 -4.8 -4.4 -13.7 23 24 A A E -A 39 0A 38 16,-0.2 2,-0.4 17,-0.1 16,-0.2 -0.987 17.7-169.6-134.2 143.9 -7.1 -7.3 -13.9 24 25 A L E -A 38 0A 68 14,-2.4 14,-3.1 -2,-0.4 2,-0.3 -0.995 20.7-124.6-142.4 131.1 -6.2 -10.7 -12.6 25 26 A Y E -A 37 0A 149 -2,-0.4 2,-0.4 12,-0.2 12,-0.2 -0.579 27.5-123.4 -76.6 139.0 -7.7 -14.2 -12.9 26 27 A L + 0 0 7 10,-2.9 10,-0.4 -2,-0.3 -1,-0.0 -0.658 44.6 163.6 -75.7 131.5 -8.4 -16.0 -9.6 27 28 A N > + 0 0 121 -2,-0.4 3,-2.0 8,-0.1 -1,-0.2 0.611 57.9 26.8-124.7 -85.7 -6.4 -19.2 -9.9 28 29 A K T 3 S+ 0 0 170 237,-0.3 238,-0.1 1,-0.3 -2,-0.1 0.872 123.7 50.5 -60.1 -35.0 -5.6 -21.5 -7.0 29 30 A L T 3 S+ 0 0 30 1,-0.1 2,-1.1 233,-0.1 -1,-0.3 0.661 93.9 85.0 -71.1 -18.8 -8.6 -20.3 -5.0 30 31 A N < + 0 0 29 -3,-2.0 -1,-0.1 1,-0.1 6,-0.0 -0.747 43.1 159.6 -91.1 100.5 -10.9 -21.0 -7.9 31 32 A N + 0 0 119 -2,-1.1 2,-0.1 2,-0.0 -1,-0.1 0.049 48.7 93.3-101.0 23.0 -11.9 -24.6 -7.8 32 33 A T S S- 0 0 27 2,-0.3 254,-0.1 1,-0.0 253,-0.0 -0.454 84.6-110.2-111.7-177.9 -15.0 -24.1 -10.1 33 34 A K S S+ 0 0 155 252,-0.4 259,-3.1 -2,-0.1 2,-0.3 0.277 90.9 85.0 -97.9 15.0 -15.7 -24.4 -13.8 34 35 A A S S- 0 0 2 257,-0.2 2,-0.3 258,-0.2 -2,-0.3 -0.780 80.1-118.9-110.7 156.5 -16.2 -20.6 -14.2 35 36 A K E - b 0 294A 119 258,-3.1 260,-2.7 -2,-0.3 2,-0.4 -0.747 26.1-160.3 -87.7 141.2 -13.4 -17.9 -14.9 36 37 A V E - b 0 295A 0 -10,-0.4 -10,-2.9 -2,-0.3 2,-0.4 -0.989 4.2-165.3-123.4 123.4 -13.2 -15.3 -12.1 37 38 A V E -Ab 25 296A 12 258,-3.1 260,-2.7 -2,-0.4 2,-0.6 -0.885 7.2-150.3-112.4 133.0 -11.5 -12.0 -13.0 38 39 A L E -Ab 24 297A 0 -14,-3.1 -14,-2.4 -2,-0.4 2,-0.7 -0.933 7.5-145.7-107.8 121.1 -10.5 -9.6 -10.2 39 40 A K E -Ab 23 298A 0 258,-2.7 260,-2.9 -2,-0.6 2,-1.9 -0.780 23.0-139.7 -85.1 113.6 -10.4 -5.8 -11.1 40 41 A M E > + b 0 299A 21 -18,-2.7 3,-2.2 -2,-0.7 -1,-0.1 -0.444 42.4 155.3 -86.9 67.5 -7.4 -4.8 -9.0 41 42 A E G > + 0 0 0 -2,-1.9 3,-1.5 258,-0.6 -1,-0.2 0.688 64.9 78.7 -70.1 -13.7 -8.5 -1.4 -7.6 42 43 A C G 3 S+ 0 0 5 257,-1.1 -1,-0.3 259,-0.3 260,-0.3 0.663 82.5 68.8 -58.3 -18.7 -6.1 -2.0 -4.7 43 44 A E G < S+ 0 0 104 -3,-2.2 -1,-0.2 -21,-0.1 -2,-0.2 0.435 70.8 117.1 -90.9 3.2 -3.4 -0.9 -7.2 44 45 A N S X S- 0 0 7 -3,-1.5 3,-2.2 1,-0.1 -26,-0.1 -0.123 84.3 -99.9 -57.2 160.6 -4.5 2.7 -7.4 45 46 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 0.820 124.7 37.1 -65.4 -30.4 -2.0 5.2 -6.2 46 47 A M T 3 S- 0 0 26 2,-0.3 4,-0.1 35,-0.0 -2,-0.1 0.000 122.1-105.7-104.9 24.2 -3.5 5.6 -2.7 47 48 A A S < S+ 0 0 20 -3,-2.2 255,-2.5 254,-0.1 2,-0.3 0.599 84.2 69.9 73.7 26.2 -4.4 1.9 -2.6 48 49 A S B > S-F 301 0B 0 253,-0.2 3,-1.9 33,-0.1 -2,-0.3 -0.993 84.7-104.9-164.4 167.9 -8.1 1.9 -3.2 49 50 A V T >> S+ 0 0 1 251,-2.4 3,-1.7 -2,-0.3 4,-0.9 0.672 105.5 79.1 -61.3 -23.9 -11.0 2.4 -5.6 50 51 A X H 3> S+ 0 0 8 1,-0.3 4,-3.2 250,-0.2 -1,-0.3 0.697 74.7 77.1 -67.5 -13.5 -11.9 5.7 -3.8 51 52 A D H <> S+ 0 0 0 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.880 93.3 51.8 -60.1 -31.4 -9.0 7.4 -5.7 52 53 A R H <> S+ 0 0 2 -3,-1.7 4,-2.4 -4,-0.2 -1,-0.2 0.925 110.6 45.6 -71.1 -44.1 -11.3 7.3 -8.8 53 54 A L H X S+ 0 0 3 -4,-0.9 4,-2.7 2,-0.2 5,-0.2 0.933 112.1 52.4 -63.7 -45.3 -14.2 9.0 -6.9 54 55 A G H X S+ 0 0 3 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.941 112.3 44.6 -50.5 -54.9 -11.7 11.6 -5.4 55 56 A F H X S+ 0 0 41 -4,-2.3 4,-3.2 -5,-0.2 5,-0.4 0.920 111.5 53.2 -56.5 -46.5 -10.4 12.6 -8.7 56 57 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.5 0.924 110.8 47.4 -59.4 -42.2 -13.8 12.7 -10.3 57 58 A I H X S+ 0 0 9 -4,-2.7 4,-2.3 3,-0.2 5,-0.4 0.981 117.9 39.8 -65.8 -52.9 -15.1 15.1 -7.6 58 59 A Y H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.924 122.1 41.3 -59.5 -50.8 -12.1 17.4 -7.8 59 60 A D H X S+ 0 0 23 -4,-3.2 4,-2.0 -5,-0.2 -1,-0.2 0.902 120.5 40.2 -62.8 -53.0 -11.8 17.4 -11.6 60 61 A K H X S+ 0 0 32 -4,-2.5 4,-1.8 -5,-0.4 6,-0.2 0.925 116.1 49.3 -72.9 -37.1 -15.4 17.5 -12.6 61 62 A A H <>S+ 0 0 7 -4,-2.3 5,-2.5 -5,-0.5 6,-1.0 0.900 113.0 47.4 -68.8 -36.4 -16.5 20.1 -9.9 62 63 A E H ><5S+ 0 0 53 -4,-1.7 3,-1.7 -5,-0.4 -1,-0.2 0.911 111.7 51.3 -66.9 -46.4 -13.6 22.4 -10.8 63 64 A K H 3<5S+ 0 0 158 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.812 110.1 48.7 -61.5 -31.2 -14.5 22.0 -14.5 64 65 A E T 3<5S- 0 0 86 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.373 120.0-111.3 -85.8 -0.2 -18.1 22.9 -13.8 65 66 A G T < 5S+ 0 0 53 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.467 87.7 113.8 83.7 3.9 -17.0 25.9 -11.8 66 67 A K S > - 0 0 83 -2,-0.4 4,-2.9 26,-0.0 3,-2.1 -0.983 31.2-118.4-132.4 116.5 -12.0 26.9 -6.8 69 70 A P T 34 S+ 0 0 64 0, 0.0 26,-0.2 0, 0.0 25,-0.1 -0.180 98.4 16.9 -54.3 141.5 -8.6 25.9 -5.5 70 71 A G T 34 S+ 0 0 76 24,-2.6 25,-0.1 2,-0.3 3,-0.1 0.409 128.4 54.9 75.1 -4.5 -7.5 28.0 -2.4 71 72 A K T <4 S+ 0 0 120 -3,-2.1 -1,-0.2 23,-0.2 2,-0.1 0.597 90.6 69.7-117.3 -53.1 -11.1 29.2 -1.8 72 73 A S < - 0 0 8 -4,-2.9 24,-0.8 74,-0.1 2,-0.5 -0.408 64.5-152.6 -74.4 147.5 -13.3 26.0 -1.6 73 74 A I E -gh 96 146C 26 72,-2.4 74,-2.9 22,-0.1 2,-0.5 -0.984 12.1-143.9-118.4 125.4 -13.0 23.9 1.5 74 75 A V E -gh 97 147C 2 22,-2.5 24,-3.1 -2,-0.5 2,-0.4 -0.775 21.3-173.3 -97.4 126.6 -13.9 20.2 0.8 75 76 A V E +gh 98 148C 0 72,-2.8 74,-2.7 -2,-0.5 75,-0.4 -0.943 10.6 160.3-121.3 138.2 -15.6 18.5 3.7 76 77 A E E -g 99 0C 6 22,-2.0 24,-2.0 -2,-0.4 2,-0.6 -0.970 36.8-129.8-155.1 150.7 -16.6 14.9 4.2 77 78 A S E +g 100 0C 5 -2,-0.3 2,-0.3 22,-0.2 24,-0.2 -0.896 52.0 138.2 -96.0 117.2 -17.6 12.5 7.0 78 79 A S - 0 0 1 22,-1.8 245,-0.1 -2,-0.6 -2,-0.1 -0.873 38.9-178.6-162.9 125.5 -15.4 9.3 6.5 79 80 A S S S+ 0 0 5 -2,-0.3 2,-0.1 243,-0.2 22,-0.1 0.228 80.8 48.7-103.1 14.7 -13.5 7.0 8.7 80 81 A G S >> S- 0 0 13 244,-0.4 4,-1.3 149,-0.0 3,-0.6 -0.281 111.6 -44.4-130.2-143.3 -12.4 5.0 5.5 81 82 A N H 3> S+ 0 0 5 1,-0.2 4,-2.6 242,-0.2 5,-0.3 0.718 118.0 64.5 -72.5 -25.3 -10.9 5.4 2.1 82 83 A T H 3> S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.943 103.7 49.3 -60.9 -39.7 -12.9 8.3 0.8 83 84 A G H <> S+ 0 0 0 -3,-0.6 4,-2.7 1,-0.2 -2,-0.2 0.916 111.5 50.8 -66.8 -40.7 -11.4 10.6 3.4 84 85 A V H X S+ 0 0 10 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.953 112.8 43.1 -59.3 -52.4 -8.0 9.3 2.5 85 86 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.902 115.6 49.9 -65.0 -39.3 -8.4 9.9 -1.3 86 87 A L H X S+ 0 0 1 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.905 113.3 46.0 -62.9 -44.2 -10.0 13.3 -0.6 87 88 A A H X S+ 0 0 1 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.910 113.5 49.2 -61.8 -48.0 -7.2 14.3 1.7 88 89 A H H X S+ 0 0 15 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.949 118.6 37.3 -57.0 -52.7 -4.4 13.1 -0.8 89 90 A L H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.839 111.2 59.4 -76.9 -29.2 -5.8 14.9 -3.9 90 91 A G H >X>S+ 0 0 0 -4,-2.0 5,-2.8 -5,-0.3 4,-1.1 0.943 103.4 54.1 -65.4 -37.6 -6.9 18.0 -2.0 91 92 A A H ><5S+ 0 0 51 -4,-1.9 3,-0.6 1,-0.3 -1,-0.2 0.915 111.1 42.2 -59.0 -48.6 -3.3 18.5 -0.9 92 93 A I H 3<5S+ 0 0 81 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.502 115.6 51.3 -83.9 -2.4 -1.9 18.5 -4.4 93 94 A R H <<5S- 0 0 46 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.479 114.3-109.9-110.9 -1.9 -4.7 20.6 -5.8 94 95 A G T <<5 + 0 0 42 -4,-1.1 -24,-2.6 -3,-0.6 2,-0.4 0.889 69.6 138.2 76.7 41.2 -4.5 23.3 -3.3 95 96 A Y < - 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