==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-SEP-08 3EPW . COMPND 2 MOLECULE: IAG-NUCLEOSIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA VIVAX; . AUTHOR W.VERSEES,A.GOEMINNE,M.BERG,A.VANDEMEULEBROUCKE,A.HAEMERS,K . 652 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22928.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 503 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 4.0 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 . 62 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 32.7 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+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 8 3 3 0 2 0 4 6 2 0 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 4 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 . 2 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 66 0, 0.0 2,-0.3 0, 0.0 27,-0.3 0.000 360.0 360.0 360.0 142.8 39.0 -9.1 30.2 2 3 A K E -a 28 0A 78 25,-2.2 27,-3.1 1,-0.0 2,-0.3 -0.760 360.0-101.0-103.8 151.4 38.4 -5.7 28.7 3 4 A N E -ab 29 131A 16 127,-0.6 129,-3.0 -2,-0.3 2,-0.4 -0.510 43.4-179.3 -71.4 131.0 39.4 -2.3 30.1 4 5 A V E -ab 30 132A 0 25,-2.6 27,-2.4 -2,-0.3 28,-0.7 -0.995 17.4-163.6-133.5 137.8 36.6 -0.4 31.8 5 6 A V E -ab 32 133A 0 127,-2.4 129,-2.9 -2,-0.4 2,-0.6 -0.982 17.0-142.7-114.4 134.4 36.4 3.0 33.5 6 7 A L E -ab 33 134A 0 26,-2.1 28,-2.5 -2,-0.4 2,-0.7 -0.880 13.4-172.3 -99.2 120.9 33.4 3.8 35.7 7 8 A D E +ab 34 135A 0 127,-2.9 129,-2.8 -2,-0.6 130,-1.1 -0.921 30.1 157.5-112.3 97.9 32.2 7.4 35.5 8 9 A H E -a 35 0A 0 26,-2.6 28,-1.9 -2,-0.7 129,-0.1 -0.710 48.3-139.4-126.4 170.8 29.6 7.5 38.2 9 10 A D - 0 0 1 26,-0.2 26,-0.1 -2,-0.2 36,-0.1 0.068 50.4-107.6-128.1 27.8 27.8 9.9 40.5 10 11 A G + 0 0 0 1,-0.2 76,-0.2 35,-0.1 31,-0.2 0.633 66.5 136.1 73.3 18.8 27.6 8.0 43.8 11 12 A N S > S- 0 0 3 74,-0.1 4,-1.6 29,-0.1 -1,-0.2 -0.366 71.0 -91.8 -86.3-179.1 24.1 6.9 44.2 12 13 A L H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.925 126.5 46.8 -64.7 -44.9 23.2 3.4 45.4 13 14 A D H > S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.849 105.1 62.0 -66.6 -30.3 22.9 1.8 42.0 14 15 A D H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 108.3 43.5 -55.7 -42.2 26.2 3.5 41.0 15 16 A F H X S+ 0 0 0 -4,-1.6 4,-2.5 -3,-0.2 -2,-0.2 0.860 111.0 52.2 -77.2 -32.9 27.9 1.5 43.7 16 17 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.931 109.7 51.9 -61.6 -42.0 26.0 -1.7 42.8 17 18 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.927 108.4 51.0 -57.7 -45.3 27.3 -1.1 39.2 18 19 A M H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.939 110.9 47.9 -58.2 -47.5 30.8 -0.7 40.6 19 20 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.931 111.3 50.8 -60.2 -44.1 30.5 -4.0 42.4 20 21 A L H X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.928 114.7 43.0 -60.6 -46.4 29.1 -5.7 39.3 21 22 A L H < S+ 0 0 0 -4,-2.8 3,-0.4 -5,-0.2 7,-0.2 0.955 118.0 44.1 -61.9 -51.1 31.9 -4.5 37.2 22 23 A A H < S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.848 110.7 53.4 -67.1 -36.7 34.7 -5.2 39.7 23 24 A S H < S+ 0 0 9 -4,-2.8 2,-1.5 -5,-0.3 -1,-0.2 0.769 93.3 74.0 -73.5 -23.6 33.4 -8.6 40.7 24 25 A N >X + 0 0 11 -4,-1.1 4,-2.8 -3,-0.4 3,-1.2 -0.456 56.5 159.4 -91.6 65.2 33.3 -9.9 37.1 25 26 A T T 34 + 0 0 76 -2,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.745 67.2 61.8 -60.0 -29.7 37.1 -10.2 36.8 26 27 A E T 34 S+ 0 0 162 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.860 120.2 23.8 -64.3 -34.7 36.8 -12.7 33.8 27 28 A K T <4 S+ 0 0 70 -3,-1.2 -25,-2.2 1,-0.2 2,-0.4 0.751 121.9 47.4-103.1 -31.2 35.0 -10.0 31.7 28 29 A V E < -a 2 0A 5 -4,-2.8 2,-0.7 -27,-0.3 -1,-0.2 -0.964 48.7-166.1-130.0 129.7 36.1 -6.7 33.1 29 30 A R E -a 3 0A 119 -27,-3.1 -25,-2.6 -2,-0.4 2,-0.9 -0.958 23.0-149.7-106.9 106.9 39.3 -5.1 34.1 30 31 A L E +a 4 0A 12 -2,-0.7 -25,-0.2 -27,-0.2 3,-0.1 -0.710 23.5 171.7 -82.5 107.4 38.3 -2.1 36.1 31 32 A I E - 0 0 32 -27,-2.4 2,-0.3 -2,-0.9 -26,-0.2 0.450 57.6 -16.9-100.6 -1.7 41.2 0.4 35.5 32 33 A G E -a 5 0A 0 -28,-0.7 -26,-2.1 33,-0.2 2,-0.3 -0.927 50.7-151.9 174.8 164.2 39.7 3.5 37.1 33 34 A A E -ac 6 67A 1 33,-1.8 35,-2.3 -2,-0.3 2,-0.3 -0.989 4.5-164.9-148.4 152.1 36.7 5.3 38.4 34 35 A L E -ac 7 68A 0 -28,-2.5 -26,-2.6 -2,-0.3 2,-0.4 -0.977 9.8-148.5-135.2 153.5 35.6 8.9 38.8 35 36 A C E -ac 8 69A 0 33,-2.3 35,-3.0 -2,-0.3 2,-0.4 -0.972 8.3-153.0-124.2 137.3 32.8 10.3 40.9 36 37 A T - 0 0 0 -28,-1.9 2,-2.2 -2,-0.4 3,-0.2 -0.878 25.9-119.3-113.6 145.4 30.8 13.4 40.0 37 38 A D S S+ 0 0 60 35,-0.4 37,-0.2 33,-0.4 -28,-0.1 -0.226 86.1 98.4 -75.8 47.0 29.1 15.8 42.5 38 39 A A S S+ 0 0 0 -2,-2.2 40,-0.3 -30,-0.1 -1,-0.1 0.766 91.4 10.5-101.5 -90.7 25.7 15.0 40.9 39 40 A D S S+ 0 0 17 -3,-0.2 2,-0.3 38,-0.1 47,-0.2 0.022 134.6 32.8 -85.8 33.3 23.5 12.4 42.7 40 41 A C S S- 0 0 0 -4,-0.1 2,-0.6 -2,-0.1 44,-0.2 -0.931 94.8 -93.1-158.8 175.2 25.9 12.5 45.7 41 42 A F >> - 0 0 40 42,-0.7 4,-2.2 -2,-0.3 3,-1.0 -0.956 45.7-133.6 -94.7 119.9 28.1 14.8 47.6 42 43 A V H 3> S+ 0 0 29 -2,-0.6 4,-3.0 1,-0.3 5,-0.2 0.784 99.6 57.4 -56.1 -35.0 31.3 14.0 45.8 43 44 A E H 3> S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.935 112.2 43.0 -61.1 -41.5 33.5 13.7 48.9 44 45 A N H <> S+ 0 0 19 -3,-1.0 4,-2.7 2,-0.2 5,-0.2 0.927 114.5 49.8 -66.9 -44.4 31.2 10.9 50.1 45 46 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.903 111.4 50.2 -61.3 -37.9 30.9 9.3 46.7 46 47 A F H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.940 111.8 46.6 -64.1 -48.1 34.7 9.4 46.4 47 48 A N H X S+ 0 0 27 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.887 111.2 51.1 -66.0 -38.6 35.3 7.8 49.8 48 49 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.912 108.8 52.1 -65.3 -39.9 32.7 5.1 49.2 49 50 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.954 113.1 44.8 -58.4 -47.2 34.3 4.3 45.8 50 51 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.895 112.4 51.2 -63.8 -42.4 37.6 3.9 47.6 51 52 A K H X S+ 0 0 13 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.870 111.5 47.0 -66.3 -37.1 36.2 1.9 50.5 52 53 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.939 112.2 50.6 -67.5 -46.4 34.5 -0.6 48.1 53 54 A M H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.931 111.7 47.6 -54.3 -47.3 37.7 -0.9 46.0 54 55 A C H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.895 109.7 52.5 -66.5 -41.3 39.7 -1.6 49.2 55 56 A L H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.930 114.1 43.8 -54.3 -46.5 37.2 -4.2 50.4 56 57 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 6,-1.6 0.839 110.7 54.3 -74.7 -32.0 37.4 -6.0 47.1 57 58 A H H X S+ 0 0 60 -4,-2.6 4,-0.9 4,-0.2 -1,-0.2 0.928 113.3 42.7 -61.4 -45.4 41.2 -5.7 46.9 58 59 A N H < S+ 0 0 58 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.673 124.1 35.0 -78.3 -17.2 41.6 -7.3 50.3 59 60 A N H < S+ 0 0 62 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.589 130.5 19.3-117.8 -13.2 38.9 -10.0 49.8 60 61 A M H < S- 0 0 39 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.163 101.3-104.0-144.3 21.9 39.1 -11.1 46.1 61 62 A N < + 0 0 147 -4,-0.9 -4,-0.2 1,-0.2 -3,-0.1 0.750 56.3 172.5 71.1 21.2 42.4 -10.0 44.8 62 63 A L - 0 0 7 -6,-1.6 -1,-0.2 -9,-0.1 -2,-0.1 -0.508 34.4-119.6 -67.6 122.5 40.9 -7.0 42.9 63 64 A P - 0 0 87 0, 0.0 -33,-0.1 0, 0.0 -1,-0.1 -0.357 28.5-113.3 -62.1 140.2 43.7 -4.8 41.5 64 65 A L - 0 0 68 -7,-0.1 -10,-0.0 -8,-0.0 -11,-0.0 -0.329 36.8-173.1 -66.5 155.7 43.7 -1.2 42.8 65 66 A F - 0 0 12 -2,-0.0 -33,-0.2 -32,-0.0 2,-0.1 -0.962 30.6 -86.5-147.7 158.0 42.9 1.5 40.4 66 67 A P - 0 0 25 0, 0.0 -33,-1.8 0, 0.0 2,-0.4 -0.418 36.4-161.8 -68.5 145.5 43.0 5.3 40.4 67 68 A I E -c 33 0A 0 -35,-0.2 2,-0.3 -2,-0.1 47,-0.3 -0.999 9.6-172.0-131.1 126.3 39.9 7.1 41.6 68 69 A G E -c 34 0A 0 -35,-2.3 -33,-2.3 -2,-0.4 2,-0.5 -0.872 22.6-131.7-120.6 153.2 39.2 10.8 40.8 69 70 A K E -cd 35 115A 45 45,-0.6 47,-2.8 -2,-0.3 48,-0.3 -0.910 30.1-131.6 -98.2 124.2 36.7 13.4 41.8 70 71 A S - 0 0 8 -35,-3.0 -33,-0.4 -2,-0.5 -28,-0.1 -0.535 2.7-146.5 -73.9 144.0 35.3 15.3 38.8 71 72 A A + 0 0 55 -2,-0.2 -1,-0.1 -35,-0.1 -35,-0.1 0.413 55.1 133.9 -84.5 0.7 35.2 19.1 38.9 72 73 A A - 0 0 13 1,-0.1 -35,-0.4 0, 0.0 2,-0.3 -0.174 42.7-152.2 -56.1 142.3 32.0 19.1 36.9 73 74 A T - 0 0 114 -37,-0.1 3,-0.1 67,-0.1 2,-0.1 -0.872 20.3 -99.6-118.5 152.2 29.3 21.4 38.2 74 75 A A - 0 0 40 -2,-0.3 115,-0.2 -37,-0.2 114,-0.1 -0.330 18.3-170.0 -68.4 143.5 25.5 21.0 37.8 75 76 A V S S+ 0 0 73 113,-2.7 114,-0.2 1,-0.3 -1,-0.2 0.816 99.5 12.3 -82.9 -50.6 23.3 22.7 35.3 76 77 A N S S- 0 0 20 112,-1.9 -1,-0.3 111,-0.2 113,-0.0 -0.902 92.8-140.8-125.8 98.3 20.3 21.3 37.2 77 78 A P - 0 0 81 0, 0.0 -39,-0.1 0, 0.0 3,-0.1 -0.183 18.0-109.0 -63.6 152.4 21.3 19.9 40.6 78 79 A F - 0 0 10 -40,-0.3 2,-0.1 1,-0.1 5,-0.0 -0.344 44.7 -83.5 -70.0 156.9 19.8 16.8 42.1 79 80 A P >> - 0 0 36 0, 0.0 4,-1.5 0, 0.0 3,-0.9 -0.398 37.8-127.9 -59.8 136.6 17.5 16.9 45.1 80 81 A K H 3> S+ 0 0 101 1,-0.3 4,-0.9 2,-0.2 -2,-0.1 0.842 105.9 61.2 -58.7 -35.5 19.5 17.0 48.3 81 82 A E H 34 S+ 0 0 121 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.856 106.1 46.5 -61.6 -35.9 17.7 14.0 49.8 82 83 A W H X4 S+ 0 0 73 -3,-0.9 3,-1.2 1,-0.2 -1,-0.2 0.847 106.4 58.9 -74.3 -32.2 18.9 11.8 46.9 83 84 A R H >< S+ 0 0 39 -4,-1.5 -42,-0.7 1,-0.2 3,-0.6 0.655 91.2 72.8 -71.9 -15.4 22.4 13.1 47.2 84 85 A C T >X S+ 0 0 1 -4,-0.9 4,-1.5 -3,-0.4 3,-1.1 0.638 70.5 87.9 -72.9 -16.0 22.7 11.9 50.8 85 86 A L H <> S+ 0 0 31 -3,-1.2 4,-2.3 1,-0.3 -1,-0.2 0.837 83.5 54.0 -62.9 -33.4 22.9 8.2 50.1 86 87 A A H <> S+ 0 0 0 -3,-0.6 4,-2.2 1,-0.2 -1,-0.3 0.801 103.9 58.5 -70.5 -25.2 26.7 8.1 49.7 87 88 A K H <> S+ 0 0 36 -3,-1.1 4,-0.9 -4,-0.3 -1,-0.2 0.943 107.2 46.8 -61.6 -48.9 26.9 9.7 53.1 88 89 A N H >< S+ 0 0 6 -4,-1.5 3,-1.0 1,-0.2 4,-0.4 0.930 113.0 49.0 -57.5 -46.4 25.0 6.8 54.5 89 90 A M H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.872 101.9 62.1 -63.6 -36.7 27.2 4.3 52.6 90 91 A D H 3< S+ 0 0 12 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.768 109.0 44.0 -59.2 -25.7 30.4 6.0 53.8 91 92 A D T << S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.414 83.7 122.0 -99.8 -1.3 29.3 5.1 57.4 92 93 A M X - 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