==== 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 30-SEP-08 3EPX . COMPND 2 MOLECULE: IAG-NUCLEOSIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA VIVAX; . AUTHOR W.VERSEES,A.GOEMINNE,M.BERG,A.VANDEMEULEBROUCKE,A.HAEMERS, . 646 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 487 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 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 . 60 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 32.2 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 6 4 2 0 1 1 5 5 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 3 3 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 91 0, 0.0 2,-0.3 0, 0.0 27,-0.3 0.000 360.0 360.0 360.0 146.4 38.3 5.8 65.1 2 3 A K E -a 28 0A 78 25,-2.2 27,-3.2 1,-0.0 2,-0.2 -0.787 360.0-100.6-107.1 149.2 40.0 9.1 65.4 3 4 A N E +ab 29 131A 27 127,-0.6 129,-2.6 -2,-0.3 2,-0.4 -0.505 44.4 179.8 -69.0 131.2 38.4 12.6 65.2 4 5 A V E -ab 30 132A 0 25,-2.4 27,-2.4 -2,-0.2 28,-0.7 -0.996 18.1-163.2-135.3 138.4 38.9 14.4 61.8 5 6 A V E -ab 32 133A 2 127,-2.4 129,-2.9 -2,-0.4 2,-0.6 -0.989 16.7-142.8-115.1 132.7 37.8 17.7 60.4 6 7 A L E -ab 33 134A 0 26,-2.0 28,-2.6 -2,-0.4 2,-0.7 -0.882 13.0-171.5 -94.6 120.5 38.0 18.3 56.6 7 8 A D E +ab 34 135A 0 127,-2.9 129,-2.8 -2,-0.6 130,-1.1 -0.919 30.1 157.4-111.8 98.4 39.0 21.8 55.7 8 9 A H E -a 35 0A 1 26,-2.4 28,-1.7 -2,-0.7 129,-0.2 -0.708 48.9-139.9-128.1 167.7 38.4 21.9 51.9 9 10 A D - 0 0 1 26,-0.2 26,-0.1 -2,-0.2 36,-0.1 0.018 50.6-108.9-125.7 28.8 37.8 24.2 49.0 10 11 A G + 0 0 0 1,-0.2 76,-0.2 35,-0.1 31,-0.2 0.633 65.3 137.9 70.6 22.1 35.2 22.2 47.0 11 12 A N S > S- 0 0 3 74,-0.1 4,-1.4 29,-0.1 -1,-0.2 -0.426 70.7 -91.3 -87.1 177.5 37.0 21.0 43.9 12 13 A L H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.909 126.5 46.3 -60.9 -43.7 36.4 17.4 42.6 13 14 A D H > S+ 0 0 4 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.828 104.3 63.0 -69.7 -29.8 39.2 15.8 44.5 14 15 A D H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.889 107.5 45.0 -53.8 -41.0 38.2 17.6 47.7 15 16 A F H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.4 -2,-0.2 0.830 109.4 52.3 -76.9 -33.3 35.0 15.7 47.4 16 17 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.915 109.8 52.5 -62.5 -41.3 36.7 12.4 46.7 17 18 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.923 107.4 51.1 -55.9 -47.9 38.7 13.2 49.8 18 19 A M H X S+ 0 0 1 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.915 109.2 50.3 -58.7 -43.0 35.5 13.7 51.8 19 20 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.928 110.4 50.1 -63.4 -44.3 34.2 10.3 50.6 20 21 A L H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.924 115.3 42.3 -57.2 -49.0 37.4 8.5 51.6 21 22 A L H < S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.2 7,-0.2 0.957 118.4 44.8 -63.0 -51.6 37.3 10.1 55.1 22 23 A A H < S+ 0 0 2 -4,-2.9 3,-0.2 1,-0.2 -2,-0.2 0.851 112.3 51.0 -63.9 -37.2 33.6 9.6 55.6 23 24 A S H < S+ 0 0 11 -4,-2.7 2,-1.3 -5,-0.2 -1,-0.2 0.743 95.1 71.8 -76.2 -24.0 33.5 6.0 54.3 24 25 A N >X + 0 0 13 -4,-1.1 4,-2.7 -3,-0.4 3,-1.4 -0.442 55.8 157.3 -94.2 63.2 36.3 4.7 56.5 25 26 A T T 34 + 0 0 78 -2,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.628 65.8 64.6 -68.0 -19.3 34.4 4.7 59.8 26 27 A E T 34 S+ 0 0 83 -3,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.833 120.5 22.7 -65.7 -33.6 36.7 2.1 61.4 27 28 A K T <4 S+ 0 0 90 -3,-1.4 -25,-2.2 1,-0.2 2,-0.4 0.747 124.0 46.4-101.9 -32.7 39.6 4.6 61.1 28 29 A V E < -a 2 0A 3 -4,-2.7 2,-0.7 -27,-0.3 -1,-0.2 -0.959 48.7-167.1-129.8 126.3 38.0 8.1 60.9 29 30 A R E -a 3 0A 71 -27,-3.2 -25,-2.4 -2,-0.4 2,-0.8 -0.943 23.6-148.3-107.1 106.9 35.2 9.8 62.8 30 31 A L E +a 4 0A 12 -2,-0.7 -25,-0.2 -27,-0.2 3,-0.1 -0.667 23.2 173.2 -82.0 107.5 34.4 12.9 60.7 31 32 A I E - 0 0 34 -27,-2.4 2,-0.3 -2,-0.8 -26,-0.2 0.430 58.3 -18.9-100.2 -0.8 33.3 15.5 63.2 32 33 A G E -a 5 0A 0 -28,-0.7 -26,-2.0 33,-0.2 2,-0.3 -0.936 50.5-141.2 171.8 166.1 33.0 18.5 60.9 33 34 A A E -ac 6 67A 2 33,-2.0 35,-2.4 -2,-0.3 2,-0.3 -0.992 6.1-160.8-147.5 148.8 33.8 20.1 57.6 34 35 A L E -ac 7 68A 2 -28,-2.6 -26,-2.4 -2,-0.3 2,-0.4 -0.962 8.3-154.5-126.7 143.6 34.7 23.6 56.4 35 36 A C E -ac 8 69A 0 33,-2.2 35,-3.1 -2,-0.3 2,-0.4 -0.989 7.5-158.0-123.2 136.2 34.4 25.0 52.8 36 37 A T - 0 0 0 -28,-1.7 2,-2.3 -2,-0.4 3,-0.1 -0.895 26.2-121.7-118.0 140.7 36.5 27.9 51.5 37 38 A D S S+ 0 0 54 33,-0.4 37,-0.2 35,-0.4 -28,-0.1 -0.252 85.0 97.5 -76.1 48.6 35.7 30.1 48.5 38 39 A A S S+ 0 0 0 -2,-2.3 40,-0.3 -30,-0.1 -1,-0.1 0.753 91.5 11.8-102.2 -91.5 39.0 29.2 46.8 39 40 A D S S+ 0 0 19 -3,-0.1 2,-0.3 38,-0.1 47,-0.2 -0.005 135.2 32.2 -83.4 29.3 38.9 26.4 44.1 40 41 A C S S- 0 0 0 -4,-0.1 2,-0.6 45,-0.1 44,-0.2 -0.947 94.3 -93.2-155.5 175.0 35.1 26.7 44.2 41 42 A F >> - 0 0 53 42,-0.8 4,-2.0 -2,-0.3 3,-1.0 -0.954 45.4-134.6 -90.4 119.5 32.2 29.1 44.7 42 43 A V H 3> S+ 0 0 21 -2,-0.6 4,-2.8 1,-0.3 5,-0.2 0.769 99.6 57.1 -54.3 -36.2 31.7 28.5 48.4 43 44 A E H 3> S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.908 111.1 44.3 -62.0 -42.2 27.9 28.2 48.2 44 45 A N H <> S+ 0 0 2 -3,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.917 114.3 48.7 -64.8 -46.1 28.2 25.4 45.7 45 46 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.884 111.1 52.2 -61.7 -39.5 31.0 23.7 47.7 46 47 A F H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.937 110.8 46.1 -59.1 -53.2 28.8 24.0 50.8 47 48 A N H X S+ 0 0 13 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.885 111.8 50.6 -60.2 -42.9 25.8 22.4 49.2 48 49 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.929 109.1 52.0 -63.2 -43.4 27.8 19.6 47.7 49 50 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.960 114.0 43.9 -55.2 -50.8 29.3 18.9 51.1 50 51 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.910 112.7 51.3 -61.2 -42.9 25.8 18.7 52.7 51 52 A K H X S+ 0 0 10 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.886 112.4 45.8 -66.3 -38.5 24.4 16.7 49.9 52 53 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.941 113.2 50.2 -66.1 -48.3 27.2 14.1 50.1 53 54 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.902 112.5 47.4 -56.1 -44.1 26.9 13.9 53.9 54 55 A C H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.905 110.0 50.8 -70.4 -41.3 23.1 13.4 53.7 55 56 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.919 114.1 46.0 -54.7 -46.3 23.4 10.7 51.1 56 57 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 6,-1.6 0.816 109.9 54.0 -71.5 -30.8 25.9 8.9 53.3 57 58 A H H X S+ 0 0 58 -4,-2.0 4,-1.2 4,-0.3 -1,-0.2 0.949 113.3 42.4 -65.5 -47.4 23.8 9.4 56.4 58 59 A N H < S+ 0 0 55 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.739 125.4 33.5 -70.7 -23.8 20.8 7.8 54.8 59 60 A N H < S+ 0 0 66 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.622 134.9 17.9-112.9 -18.6 22.7 4.9 53.1 60 61 A M H < S- 0 0 37 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.250 98.9-112.6-136.2 14.6 25.5 4.1 55.5 61 62 A N < + 0 0 136 -4,-1.2 -4,-0.3 1,-0.2 -3,-0.1 0.756 49.5 175.5 60.0 27.2 24.4 5.7 58.8 62 63 A L - 0 0 7 -6,-1.6 -1,-0.2 -9,-0.1 -2,-0.1 -0.485 36.4-113.3 -60.2 122.9 27.2 8.2 58.7 63 64 A P - 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 -0.382 31.6-111.8 -59.4 137.0 26.6 10.6 61.7 64 65 A L - 0 0 69 -2,-0.1 -10,-0.0 -7,-0.1 -11,-0.0 -0.331 39.2-174.2 -64.0 151.4 25.7 14.1 60.7 65 66 A F - 0 0 11 -2,-0.0 -33,-0.2 -32,-0.0 2,-0.2 -0.946 31.3 -84.2-145.7 158.8 28.3 16.8 61.5 66 67 A P - 0 0 27 0, 0.0 -33,-2.0 0, 0.0 2,-0.4 -0.475 35.3-163.7 -68.9 141.4 28.5 20.6 61.3 67 68 A I E -c 33 0A 0 -35,-0.2 2,-0.3 -2,-0.2 47,-0.2 -0.992 11.5-173.7-124.9 120.1 29.5 22.1 57.9 68 69 A G E -c 34 0A 0 -35,-2.4 -33,-2.2 -2,-0.4 2,-0.5 -0.887 21.3-132.3-118.3 146.9 30.6 25.8 57.9 69 70 A K E -cd 35 115A 34 45,-0.6 47,-2.7 -2,-0.3 48,-0.3 -0.832 26.9-130.1 -93.4 130.0 31.5 28.2 55.2 70 71 A S - 0 0 9 -35,-3.1 -33,-0.4 -2,-0.5 -28,-0.1 -0.606 4.8-149.5 -80.3 140.8 34.8 30.1 55.7 71 72 A A + 0 0 81 -2,-0.3 -1,-0.1 -35,-0.1 -35,-0.1 0.348 54.5 133.8 -83.8 2.4 34.9 33.9 55.4 72 73 A A - 0 0 14 1,-0.1 -35,-0.4 0, 0.0 2,-0.3 -0.262 43.6-151.5 -55.8 139.2 38.5 33.7 54.2 73 74 A T - 0 0 116 -37,-0.1 3,-0.1 67,-0.1 -35,-0.1 -0.856 20.0 -99.8-113.6 153.4 39.3 35.8 51.1 74 75 A A - 0 0 36 -2,-0.3 115,-0.2 -37,-0.2 114,-0.1 -0.345 17.6-168.6 -68.4 143.3 41.9 35.2 48.4 75 76 A V S S+ 0 0 65 113,-2.8 114,-0.2 1,-0.3 -1,-0.2 0.819 100.3 10.7 -81.8 -51.9 45.3 36.8 48.2 76 77 A N S S- 0 0 23 112,-1.5 -1,-0.3 111,-0.2 113,-0.0 -0.915 93.4-139.8-127.5 103.0 45.5 35.3 44.7 77 78 A P - 0 0 82 0, 0.0 -39,-0.1 0, 0.0 3,-0.1 -0.157 18.2-107.8 -67.9 154.5 42.2 33.8 43.4 78 79 A F - 0 0 12 -40,-0.3 2,-0.1 1,-0.1 5,-0.0 -0.352 46.8 -83.7 -69.9 156.9 41.8 30.6 41.5 79 80 A P >> - 0 0 38 0, 0.0 4,-1.4 0, 0.0 3,-0.5 -0.432 39.0-127.6 -60.3 136.5 40.9 30.6 37.7 80 81 A K H 3> S+ 0 0 45 1,-0.2 4,-0.7 2,-0.2 493,-0.1 0.823 104.8 60.4 -60.8 -36.2 37.1 30.9 37.4 81 82 A E H >4 S+ 0 0 130 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.914 106.7 46.8 -55.1 -45.4 36.8 27.8 35.1 82 83 A W H X4 S+ 0 0 71 -3,-0.5 3,-1.1 1,-0.2 -1,-0.2 0.839 106.5 58.8 -67.7 -33.5 38.3 25.6 37.8 83 84 A R H 3< S+ 0 0 38 -4,-1.4 -42,-0.8 1,-0.2 3,-0.5 0.609 93.0 69.5 -71.3 -13.0 36.0 27.1 40.5 84 85 A a T S+ 0 0 36 -3,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.844 81.8 56.3 -67.0 -34.0 33.2 22.3 39.1 86 87 A A H > S+ 0 0 0 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.827 100.0 60.8 -67.4 -31.3 31.3 22.2 42.4 87 88 A K H > S+ 0 0 14 -3,-0.4 4,-0.9 -4,-0.3 -1,-0.2 0.928 103.9 50.2 -56.3 -45.7 28.3 23.8 40.6 88 89 A N H >< S+ 0 0 21 -4,-1.2 3,-0.9 1,-0.2 4,-0.3 0.927 110.8 48.4 -58.0 -47.1 28.2 20.7 38.3 89 90 A M H >< S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.2 6,-0.2 0.886 103.1 61.8 -62.9 -38.6 28.3 18.4 41.3 90 91 A D H 3< S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.750 109.6 42.7 -59.3 -25.0 25.5 20.3 43.0 91 92 A D T << S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.380 85.0 124.0-104.0 1.8 23.2 19.5 40.1 92 93 A M X - 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