==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-OCT-06 2ISN . COMPND 2 MOLECULE: NYSGXRC-8828Z, PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR R.AGARWAL,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CEN . 660 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 458 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 193 29.2 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 59 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 2 0 0 0 0 2 2 0 0 0 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 6 5 2 9 4 2 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 . 0 4 0 0 0 0 0 0 0 0 0 0 0 2 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 K 0 0 110 0, 0.0 333,-3.4 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 -64.5 10.8 36.6 1.4 2 4 A K E +A 333 0A 32 331,-0.3 15,-0.4 15,-0.2 2,-0.4 -0.737 360.0 179.5 -86.4 111.7 13.1 38.9 3.4 3 5 A V E -A 332 0A 2 329,-2.9 329,-2.2 -2,-0.8 2,-0.4 -0.895 25.2-150.5-120.3 141.7 15.7 36.6 5.0 4 6 A I E -AB 331 15A 1 11,-2.2 11,-1.9 -2,-0.4 2,-0.5 -0.903 14.9-168.2-105.0 135.7 18.7 37.1 7.3 5 7 A T E -AB 330 14A 8 325,-2.8 325,-2.7 -2,-0.4 2,-0.5 -0.977 2.6-171.5-128.6 117.3 21.5 34.6 7.0 6 8 A V E -AB 329 13A 18 7,-2.8 7,-2.7 -2,-0.5 2,-0.7 -0.945 4.1-170.3-111.5 121.6 24.2 34.5 9.6 7 9 A N E +AB 328 12A 40 321,-3.1 321,-1.4 -2,-0.5 2,-0.3 -0.926 36.1 127.2-111.1 104.1 27.3 32.2 9.0 8 10 A E E > - B 0 11A 70 3,-1.7 3,-2.7 -2,-0.7 317,-0.1 -0.972 58.3 -6.1-153.8 161.7 29.3 32.1 12.2 9 11 A W T 3 S- 0 0 15 -2,-0.3 315,-3.1 1,-0.3 313,-0.0 -0.243 125.1 -32.2 51.5-124.5 30.9 29.8 14.7 10 12 A Y T 3 S+ 0 0 41 313,-0.2 310,-2.2 311,-0.0 2,-0.3 0.016 121.4 77.5-114.1 26.7 29.7 26.2 13.7 11 13 A T E < -BC 8 319A 2 -3,-2.7 -3,-1.7 308,-0.2 2,-0.5 -0.926 57.9-150.7-139.1 160.8 26.3 27.2 12.4 12 14 A T E -BC 7 318A 13 306,-2.0 306,-2.5 -2,-0.3 2,-0.4 -0.989 28.2-170.5-126.3 115.0 24.4 28.7 9.5 13 15 A T E -BC 6 317A 1 -7,-2.7 -7,-2.8 -2,-0.5 2,-0.4 -0.942 8.0-176.2-114.5 130.3 21.2 30.4 10.8 14 16 A V E +BC 5 316A 0 302,-2.5 302,-2.8 -2,-0.4 2,-0.3 -0.980 8.3 174.8-124.0 137.8 18.4 31.7 8.6 15 17 A A E +BC 4 315A 1 -11,-1.9 -11,-2.2 -2,-0.4 2,-0.3 -0.996 6.6 162.6-145.0 148.9 15.4 33.6 9.9 16 18 A A E - C 0 314A 0 298,-2.0 298,-2.2 -2,-0.3 2,-0.3 -0.978 11.5-165.4-159.0 158.6 12.3 35.4 8.5 17 19 A T E - C 0 313A 5 -15,-0.4 2,-0.3 -2,-0.3 296,-0.2 -0.984 2.6-163.6-148.8 153.9 8.9 36.6 9.6 18 20 A X E - C 0 312A 40 294,-2.4 294,-2.0 -2,-0.3 9,-0.1 -0.990 25.7-135.1-142.7 149.4 5.7 37.8 8.0 19 21 A L > + 0 0 39 -2,-0.3 3,-1.1 292,-0.2 2,-0.2 0.921 40.5 178.3 -66.5 -43.8 2.6 39.7 9.1 20 22 A G T 3 - 0 0 24 1,-0.2 -1,-0.2 291,-0.1 291,-0.1 -0.547 67.4 -19.3 73.5-139.5 0.3 37.3 7.3 21 23 A R T 3 S+ 0 0 108 289,-0.4 -1,-0.2 287,-0.4 290,-0.1 0.271 116.8 99.2 -87.6 16.0 -3.3 38.2 7.8 22 24 A R S < S- 0 0 105 -3,-1.1 288,-0.1 288,-0.2 -3,-0.0 -0.757 76.3-128.0-103.6 149.4 -2.6 40.3 10.8 23 25 A P S S+ 0 0 110 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.810 92.0 17.1 -61.6 -35.6 -2.3 44.2 10.9 24 26 A T S S- 0 0 63 -5,-0.1 2,-0.6 -3,-0.0 -2,-0.1 -0.860 76.4-120.1-132.9 169.2 1.1 44.1 12.7 25 27 A D + 0 0 3 -2,-0.3 642,-0.4 1,-0.1 -6,-0.1 -0.948 25.3 175.9-115.6 111.6 3.8 41.5 13.3 26 28 A E + 0 0 18 -2,-0.6 20,-1.8 20,-0.2 2,-0.3 0.223 46.2 110.3 -98.5 13.0 4.4 40.9 17.0 27 29 A D E -O 45 0B 3 18,-0.2 640,-0.5 -9,-0.1 2,-0.4 -0.680 45.1-173.6 -89.7 143.3 7.0 38.2 16.5 28 30 A A E -O 44 0B 0 16,-2.7 16,-3.4 -2,-0.3 2,-0.5 -0.997 8.0-153.1-136.9 140.4 10.7 38.8 17.3 29 31 A I E -OP 43 665B 0 636,-2.6 636,-2.3 -2,-0.4 2,-1.1 -0.955 12.3-151.5-123.3 128.7 13.6 36.6 16.7 30 32 A L E -OP 42 664B 0 12,-2.5 12,-2.1 -2,-0.5 634,-0.2 -0.824 18.8-175.2 -91.9 99.0 16.9 36.4 18.5 31 33 A V E - 0 0 0 632,-1.9 2,-0.3 -2,-1.1 -1,-0.2 0.870 60.4 -23.7 -64.8 -38.5 19.1 35.2 15.6 32 34 A S E + P 0 663B 13 631,-1.1 631,-1.2 -3,-0.1 -1,-0.2 -0.947 56.4 163.3-172.9 152.8 22.2 34.8 17.8 33 35 A A 0 0 5 7,-0.3 7,-2.6 -2,-0.3 629,-0.1 -0.915 360.0 360.0-169.3 147.8 24.0 35.8 20.9 34 36 A P 0 0 68 0, 0.0 5,-0.2 0, 0.0 31,-0.1 -0.383 360.0 360.0 -89.1 360.0 26.9 34.4 23.0 35 ! 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 36 41 A P 0 0 150 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.6 32.4 30.5 25.3 37 42 A N + 0 0 62 1,-0.2 70,-0.7 69,-0.1 2,-0.4 0.801 360.0 113.9 69.9 26.9 31.2 27.6 23.0 38 43 A V E - Q 0 106B 20 68,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.989 41.3-179.2-135.2 128.0 27.6 28.8 23.6 39 44 A R E - Q 0 105B 28 66,-2.3 66,-2.6 -2,-0.4 2,-0.5 -0.965 9.9-158.5-116.7 144.6 25.0 30.2 21.3 40 45 A I E + Q 0 104B 1 -7,-2.6 2,-0.3 -2,-0.4 -7,-0.3 -0.977 15.1 170.9-125.4 130.1 21.5 31.3 22.2 41 46 A K E + Q 0 103B 3 62,-2.0 62,-2.8 -2,-0.5 2,-0.3 -0.957 5.8 170.3-133.8 152.9 18.7 31.7 19.7 42 47 A A E -OQ 30 102B 0 -12,-2.1 -12,-2.5 -2,-0.3 2,-0.4 -0.997 29.4-144.2-161.3 161.2 15.0 32.2 20.2 43 48 A V E -OQ 29 101B 2 58,-1.9 58,-2.1 -2,-0.3 2,-0.5 -0.999 21.7-164.4-129.4 122.3 11.7 33.0 18.6 44 49 A F E -O 28 0B 2 -16,-3.4 -16,-2.7 -2,-0.4 2,-0.7 -0.959 3.3-161.6-115.8 122.4 9.4 35.2 20.7 45 50 A D E -O 27 0B 8 -2,-0.5 54,-3.0 54,-0.2 -18,-0.2 -0.878 14.0-163.8-105.9 106.4 5.7 35.4 19.8 46 51 A G E -C 98 0C 2 -20,-1.8 2,-0.3 -2,-0.7 52,-0.3 -0.399 6.1-165.6 -88.2 163.9 4.0 38.4 21.3 47 52 A H E +C 97 0C 48 50,-1.9 50,-1.7 2,-0.2 5,-0.1 -0.993 69.0 16.0-148.6 142.4 0.3 39.2 21.8 48 53 A A S S+ 0 0 101 -2,-0.3 2,-0.2 48,-0.2 -1,-0.1 0.768 132.9 0.0 67.3 25.9 -1.7 42.3 22.6 49 54 A G - 0 0 24 47,-0.1 4,-0.3 1,-0.1 -2,-0.2 -0.612 65.4-121.3 141.0 159.2 1.4 44.3 21.7 50 55 A E S > S+ 0 0 82 -2,-0.2 4,-1.9 -4,-0.1 5,-0.2 0.442 85.9 91.4-109.7 -1.9 5.0 43.9 20.5 51 56 A A H > S+ 0 0 46 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.890 90.0 43.8 -61.6 -41.9 6.8 45.6 23.4 52 57 A T H > S+ 0 0 0 2,-0.2 4,-2.6 45,-0.2 -1,-0.2 0.911 113.1 48.4 -72.5 -43.9 7.3 42.4 25.4 53 58 A S H > S+ 0 0 0 44,-0.3 4,-2.1 -4,-0.3 -2,-0.2 0.891 114.4 46.9 -65.0 -39.0 8.4 40.1 22.6 54 59 A Q H X S+ 0 0 37 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.822 110.6 52.4 -72.4 -29.6 10.9 42.6 21.3 55 60 A Y H X S+ 0 0 27 -4,-1.3 4,-2.4 -5,-0.2 5,-0.3 0.956 109.4 50.3 -67.6 -48.0 12.2 43.2 24.8 56 61 A C H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.904 109.4 50.5 -54.1 -47.8 12.7 39.5 25.2 57 62 A A H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.913 115.7 42.8 -58.0 -44.4 14.6 39.2 21.9 58 63 A K H < S+ 0 0 119 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.770 129.6 22.5 -75.0 -28.3 16.9 42.0 22.9 59 64 A H H X S+ 0 0 35 -4,-2.4 4,-1.2 -5,-0.1 3,-0.3 0.565 92.2 89.2-121.0 -9.6 17.5 41.0 26.6 60 65 A A H X S+ 0 0 1 -4,-3.0 4,-2.5 -5,-0.3 3,-0.3 0.897 90.3 54.0 -56.7 -43.6 16.9 37.3 27.1 61 66 A A H > S+ 0 0 7 -4,-0.4 4,-3.1 -5,-0.3 -1,-0.2 0.870 99.0 63.6 -59.2 -38.3 20.5 36.4 26.2 62 67 A K H 4 S+ 0 0 43 -3,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.927 111.9 35.6 -52.0 -48.3 21.7 38.8 28.9 63 68 A H H >< S+ 0 0 15 -4,-1.2 3,-1.0 -3,-0.3 4,-0.3 0.939 122.3 42.3 -72.7 -50.1 20.1 36.7 31.6 64 69 A L H >< S+ 0 0 7 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.792 104.8 68.7 -67.9 -27.4 20.6 33.2 30.2 65 70 A G T 3< S+ 0 0 41 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.633 92.5 56.6 -68.9 -15.0 24.2 34.1 29.2 66 71 A K T < S+ 0 0 146 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.589 81.1 115.3 -92.2 -10.7 25.4 34.3 32.7 67 72 A L < - 0 0 28 -3,-1.1 3,-0.1 -4,-0.3 -3,-0.0 -0.349 51.0-160.8 -64.8 133.3 24.4 30.8 33.7 68 73 A S S S+ 0 0 104 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.740 83.2 18.2 -83.9 -26.2 27.1 28.2 34.5 69 74 A E S S- 0 0 96 2,-0.1 2,-0.4 0, 0.0 -1,-0.2 -0.974 73.6-131.9-140.0 150.7 24.8 25.2 33.9 70 75 A F + 0 0 18 -2,-0.3 2,-0.1 -3,-0.1 34,-0.1 -0.303 53.1 144.9-103.0 52.2 21.5 25.1 32.0 71 76 A T > - 0 0 70 -2,-0.4 4,-3.0 1,-0.1 5,-0.3 -0.389 65.0-105.8 -82.7 162.6 19.5 23.2 34.6 72 77 A F H > S+ 0 0 92 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.932 120.7 50.6 -53.3 -49.0 15.8 23.9 35.2 73 78 A A H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 114.5 41.9 -57.3 -48.3 16.6 25.7 38.5 74 79 A E H > S+ 0 0 68 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.915 118.4 45.3 -67.0 -43.0 19.2 28.0 36.9 75 80 A V H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.872 110.6 55.5 -67.4 -38.8 17.1 28.6 33.8 76 81 A K H X S+ 0 0 53 -4,-3.2 4,-2.5 -5,-0.3 5,-0.3 0.963 108.0 46.2 -60.4 -51.9 14.0 29.2 35.9 77 82 A K H X S+ 0 0 136 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.856 112.0 54.2 -61.5 -30.5 15.5 31.9 38.0 78 83 A A H X S+ 0 0 6 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.931 110.2 44.9 -68.0 -45.1 16.9 33.5 34.8 79 84 A C H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.893 113.2 49.0 -67.2 -40.8 13.4 33.6 33.2 80 85 A L H X S+ 0 0 32 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.860 109.3 54.6 -66.8 -33.1 11.7 35.0 36.2 81 86 A S H X S+ 0 0 54 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.949 110.6 45.1 -63.6 -47.6 14.4 37.6 36.5 82 87 A L H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.903 111.5 53.1 -61.8 -42.7 13.7 38.7 33.0 83 88 A D H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.902 109.0 48.6 -60.9 -41.7 10.0 38.6 33.5 84 89 A A H X S+ 0 0 47 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.866 111.8 50.0 -65.8 -37.1 10.3 40.9 36.6 85 90 A E H X S+ 0 0 21 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.898 110.8 50.1 -67.3 -41.4 12.5 43.2 34.6 86 91 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.945 112.7 44.7 -62.0 -49.9 9.9 43.3 31.8 87 92 A I H X S+ 0 0 37 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.902 115.0 49.8 -62.6 -41.5 7.0 44.1 34.1 88 93 A R H < S+ 0 0 168 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.961 118.4 37.2 -61.9 -53.9 9.0 46.7 35.9 89 94 A K H < S+ 0 0 142 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.814 129.5 30.5 -71.6 -31.8 10.2 48.4 32.7 90 95 A L H < S- 0 0 56 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.619 125.2 -23.3-104.1 -15.2 7.0 48.1 30.7 91 96 A G < - 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