==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-OCT-03 1R4F . COMPND 2 MOLECULE: IAG-NUCLEOSIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA VIVAX; . AUTHOR W.VERSEES,S.LOVERIX,A.VANDEMEULEBROUCKE,P.GEERLINGS, . 628 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 475 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 3.3 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 . 1 0.2 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 . 66 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 5 3 1 0 0 2 5 4 2 0 2 1 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 . 0 0 2 0 1 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 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 0 A S 0 0 167 0, 0.0 26,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 59.1 26.0 45.8 -10.6 2 2 A A - 0 0 18 24,-0.2 2,-0.3 27,-0.1 27,-0.2 -0.326 360.0-130.2 -66.9 146.0 24.5 44.6 -7.3 3 3 A K E -a 29 0A 69 25,-1.9 27,-2.4 1,-0.1 2,-0.2 -0.752 24.8-101.7-101.2 146.8 21.1 42.9 -7.4 4 4 A N E -ab 30 132A 16 127,-0.7 129,-3.2 -2,-0.3 2,-0.3 -0.442 44.3-178.4 -68.2 133.4 18.1 43.8 -5.2 5 5 A V E -ab 31 133A 0 25,-2.2 27,-2.6 127,-0.2 28,-0.6 -0.987 16.9-164.7-136.2 143.9 17.6 41.4 -2.3 6 6 A V E -ab 33 134A 0 127,-2.4 129,-3.1 -2,-0.3 2,-0.6 -0.988 16.5-141.7-126.1 135.1 15.0 41.2 0.5 7 7 A L E -ab 34 135A 0 26,-2.3 28,-2.1 -2,-0.4 2,-0.6 -0.893 14.4-174.1-102.6 123.9 15.6 39.1 3.6 8 8 A D E +ab 35 136A 0 127,-2.8 129,-2.8 -2,-0.6 130,-1.0 -0.904 29.4 148.4-117.6 97.1 12.5 37.2 4.9 9 9 A H E -a 36 0A 0 26,-1.9 28,-1.4 -2,-0.6 129,-0.2 -0.672 52.4-131.3-127.3 179.3 13.6 35.6 8.2 10 10 A D - 0 0 2 127,-0.2 26,-0.1 26,-0.2 30,-0.1 -0.094 55.1-102.8-125.9 35.1 12.5 34.5 11.7 11 11 A G + 0 0 0 1,-0.1 75,-0.5 35,-0.1 76,-0.4 0.742 68.8 137.5 52.8 42.6 15.2 35.9 13.9 12 12 A N > - 0 0 19 73,-0.1 4,-2.0 74,-0.1 5,-0.2 -0.538 67.9 -92.1-106.2 176.2 17.5 33.0 14.8 13 13 A L H >> S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.958 126.4 40.7 -52.1 -59.6 21.3 32.8 15.0 14 14 A D H 3> S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.829 109.2 61.8 -63.2 -27.8 21.8 31.6 11.4 15 15 A D H 3> S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.908 108.3 43.5 -60.8 -41.4 19.1 34.0 10.2 16 16 A F H < S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 7,-0.2 0.978 117.6 45.4 -67.0 -53.5 23.9 39.8 2.5 23 23 A A H 3< S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.830 110.2 52.0 -60.1 -38.5 24.5 43.3 3.9 24 24 A S H 3< S+ 0 0 12 -4,-2.8 2,-1.1 -5,-0.2 -1,-0.2 0.708 94.8 73.1 -75.3 -18.5 28.3 43.1 4.0 25 25 A N XX + 0 0 32 -4,-0.8 4,-3.0 -3,-0.8 3,-0.8 -0.480 56.1 157.3 -95.7 64.6 28.6 42.0 0.3 26 26 A T T 34 + 0 0 60 -2,-1.1 -1,-0.2 1,-0.2 -24,-0.2 0.729 65.6 62.9 -58.7 -29.1 27.7 45.5 -1.1 27 27 A E T 34 S+ 0 0 163 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.862 121.0 19.9 -68.1 -36.3 29.4 44.7 -4.5 28 28 A K T <4 S+ 0 0 48 -3,-0.8 -25,-1.9 1,-0.2 2,-0.4 0.681 124.2 52.3-106.1 -23.6 27.0 41.8 -5.3 29 29 A V E < -a 3 0A 5 -4,-3.0 2,-0.7 -27,-0.2 -1,-0.2 -0.962 49.9-170.0-127.9 129.3 24.0 42.5 -3.0 30 30 A R E -a 4 0A 124 -27,-2.4 -25,-2.2 -2,-0.4 2,-0.8 -0.916 21.2-151.4-110.4 100.5 21.8 45.6 -2.5 31 31 A L E +a 5 0A 12 -2,-0.7 -25,-0.2 -27,-0.2 3,-0.1 -0.644 21.0 173.4 -78.3 110.7 19.7 44.8 0.5 32 32 A I E - 0 0 33 -27,-2.6 2,-0.3 -2,-0.8 -26,-0.2 0.388 57.9 -19.3 -99.4 2.4 16.5 46.8 0.1 33 33 A G E -a 6 0A 0 -28,-0.6 -26,-2.3 33,-0.2 2,-0.3 -0.907 48.2-148.5 168.9 164.3 14.5 45.4 3.0 34 34 A A E -ac 7 68A 0 33,-1.9 35,-2.1 -2,-0.3 2,-0.3 -0.983 7.3-163.5-149.9 154.1 13.8 42.8 5.6 35 35 A L E -ac 8 69A 0 -28,-2.1 -26,-1.9 -2,-0.3 2,-0.4 -0.979 10.3-144.4-139.2 152.0 10.9 41.3 7.4 36 36 A C E -ac 9 70A 0 33,-2.9 35,-4.2 -2,-0.3 2,-0.4 -0.940 5.6-156.7-121.6 142.1 10.5 39.2 10.6 37 37 A T - 0 0 0 -28,-1.4 2,-1.9 -2,-0.4 3,-0.2 -0.920 24.4-124.8-117.9 142.0 8.1 36.4 11.5 38 38 A D S S+ 0 0 83 33,-0.5 37,-0.2 35,-0.4 4,-0.1 -0.377 81.6 97.6 -81.3 58.6 7.1 35.4 15.0 39 39 A A S S+ 0 0 16 -2,-1.9 2,-0.3 39,-0.1 40,-0.2 0.746 90.5 14.3-106.3 -85.0 8.1 31.7 14.5 40 40 A D S S+ 0 0 29 -3,-0.2 2,-0.2 -30,-0.1 46,-0.2 -0.148 135.8 27.1 -88.6 38.2 11.6 30.7 15.7 41 41 A C S S- 0 0 5 -2,-0.3 2,-0.6 44,-0.2 -29,-0.1 -0.807 94.9 -91.4 172.6 147.1 11.8 33.9 17.8 42 42 A F >> - 0 0 39 -2,-0.2 4,-2.1 1,-0.2 3,-1.0 -0.648 42.3-134.1 -71.7 120.5 9.6 36.5 19.4 43 43 A V H 3> S+ 0 0 18 -2,-0.6 4,-3.3 1,-0.3 5,-0.3 0.830 101.4 62.8 -45.4 -41.1 9.1 38.9 16.6 44 44 A E H 3> S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.919 109.0 40.3 -53.2 -47.6 9.8 41.9 18.9 45 45 A N H <> S+ 0 0 30 -3,-1.0 4,-2.6 2,-0.2 5,-0.3 0.927 115.0 51.1 -68.5 -45.7 13.3 40.6 19.6 46 46 A G H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.886 110.9 49.7 -58.5 -39.9 14.0 39.6 16.0 47 47 A F H X S+ 0 0 4 -4,-3.3 4,-2.1 -5,-0.2 -1,-0.2 0.925 111.3 48.3 -64.2 -47.7 12.9 43.0 14.8 48 48 A N H X S+ 0 0 36 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.911 111.1 49.1 -61.3 -45.0 15.1 44.9 17.2 49 49 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.829 108.6 54.7 -66.6 -30.7 18.2 42.8 16.4 50 50 A T H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.943 111.3 44.5 -67.1 -43.8 17.6 43.4 12.8 51 51 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.902 112.4 52.1 -64.7 -41.2 17.6 47.1 13.3 52 52 A K H X S+ 0 0 9 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.829 111.3 46.2 -66.1 -33.0 20.6 46.9 15.6 53 53 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.899 111.8 51.7 -76.4 -40.2 22.6 45.0 13.1 54 54 A M H X S+ 0 0 0 -4,-2.3 4,-3.5 -5,-0.2 -2,-0.2 0.949 113.8 43.7 -60.2 -47.8 21.6 47.4 10.2 55 55 A C H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.894 109.2 55.1 -66.2 -42.0 22.6 50.5 12.2 56 56 A L H < S+ 0 0 0 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.2 0.953 117.5 38.4 -55.2 -46.7 25.9 49.0 13.5 57 57 A M H >X S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 4,-1.9 0.922 109.7 60.0 -70.1 -45.2 26.7 48.4 9.8 58 58 A H H 3< S+ 0 0 59 -4,-3.5 5,-0.4 1,-0.3 -1,-0.2 0.856 107.3 47.5 -50.8 -40.0 25.2 51.6 8.5 59 59 A N T 3< S+ 0 0 66 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.491 119.3 37.3 -83.5 -3.0 27.6 53.6 10.7 60 60 A N T <4 S+ 0 0 73 -3,-1.9 2,-0.3 -4,-0.3 -2,-0.2 0.471 120.2 12.4-125.5 -8.2 30.7 51.7 9.7 61 61 A M S < S- 0 0 32 -4,-1.9 2,-1.6 2,-0.1 -1,-0.1 -0.872 93.8 -62.2-153.9-173.4 30.4 50.9 6.1 62 62 A N S S+ 0 0 138 -2,-0.3 -4,-0.1 -38,-0.1 -3,-0.1 -0.620 74.6 132.3 -81.4 85.2 28.6 51.5 2.8 63 63 A L - 0 0 12 -2,-1.6 -2,-0.1 -5,-0.4 3,-0.1 -0.808 45.8-145.1-143.3 101.1 25.1 50.2 3.8 64 64 A P - 0 0 97 0, 0.0 2,-0.2 0, 0.0 -33,-0.1 -0.286 30.6-104.8 -62.5 145.6 22.0 52.2 3.0 65 65 A L - 0 0 70 -7,-0.1 -10,-0.0 -10,-0.0 -11,-0.0 -0.468 42.2-171.8 -70.5 140.6 19.1 52.1 5.5 66 66 A F - 0 0 12 -2,-0.2 -33,-0.2 -3,-0.1 2,-0.1 -0.883 27.8 -90.9-131.7 162.8 16.2 49.9 4.5 67 67 A P - 0 0 26 0, 0.0 -33,-1.9 0, 0.0 2,-0.4 -0.449 32.9-158.6 -75.1 147.8 12.7 49.2 5.9 68 68 A I E -c 34 0A 0 -35,-0.2 2,-0.4 -2,-0.1 47,-0.3 -0.989 9.7-168.4-129.4 123.0 12.1 46.4 8.4 69 69 A G E -c 35 0A 0 -35,-2.1 -33,-2.9 -2,-0.4 2,-0.5 -0.874 20.4-135.5-118.1 146.6 8.7 44.9 8.9 70 70 A K E -cd 36 116A 43 45,-0.7 47,-2.9 -2,-0.4 2,-0.3 -0.837 31.6-129.2 -93.7 127.7 7.2 42.6 11.5 71 71 A S - 0 0 10 -35,-4.2 -33,-0.5 -2,-0.5 -28,-0.1 -0.615 6.5-149.4 -81.8 137.0 5.1 40.0 9.7 72 72 A A + 0 0 72 -2,-0.3 -1,-0.1 -35,-0.1 -35,-0.1 0.342 53.8 138.8 -82.3 6.1 1.5 39.4 11.0 73 73 A A - 0 0 12 1,-0.1 -35,-0.4 0, 0.0 2,-0.4 -0.220 40.4-152.4 -55.4 139.0 2.0 35.7 9.9 74 74 A T - 0 0 115 -37,-0.1 2,-0.1 67,-0.1 -35,-0.1 -0.917 16.0-109.2-119.0 143.6 0.6 33.1 12.3 75 75 A A - 0 0 33 -2,-0.4 115,-0.2 -37,-0.2 114,-0.1 -0.347 15.1-167.0 -73.6 147.7 1.7 29.6 12.8 76 76 A V S S+ 0 0 65 113,-3.0 114,-0.2 1,-0.3 -1,-0.1 0.726 97.0 15.3 -95.9 -34.9 -0.2 26.4 11.8 77 77 A N S S- 0 0 22 112,-1.6 -1,-0.3 111,-0.0 0, 0.0 -0.872 92.5-136.1-142.2 101.3 2.2 24.3 13.9 78 78 A P - 0 0 96 0, 0.0 3,-0.2 0, 0.0 -39,-0.1 -0.174 22.9-103.4 -61.2 148.1 4.3 26.4 16.5 79 79 A F - 0 0 23 -40,-0.2 5,-0.1 1,-0.2 -39,-0.0 -0.062 69.8 -46.3 -63.3 170.4 8.0 25.8 17.1 80 80 A P - 0 0 55 0, 0.0 2,-3.3 0, 0.0 -1,-0.2 -0.159 54.0-137.8 -43.0 111.1 9.2 23.9 20.2 81 81 A K S S+ 0 0 115 -3,-0.2 3,-0.1 1,-0.1 2,-0.1 -0.125 92.2 51.9 -69.3 45.6 7.2 25.6 23.0 82 82 A E S S- 0 0 97 -2,-3.3 2,-0.4 1,-0.1 -1,-0.1 0.043 111.7 -2.7-139.3-107.0 10.5 25.5 24.9 83 83 A W S S+ 0 0 87 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.859 75.3 108.2-107.4 133.5 13.9 26.8 23.6 84 84 A R + 0 0 24 1,-0.5 -1,-0.1 -2,-0.4 -44,-0.1 0.038 52.5 70.1-155.4 -89.1 14.4 28.3 20.2 85 85 A C + 0 0 49 -46,-0.2 -1,-0.5 1,-0.1 -44,-0.2 -0.135 36.8 178.1 -49.6 137.8 15.0 32.1 19.6 86 86 A L > + 0 0 50 -75,-0.5 4,-2.7 -46,-0.2 5,-0.2 0.073 58.3 106.0-123.1 8.8 18.3 33.5 20.9 87 87 A A H > S+ 0 0 0 -76,-0.4 4,-1.7 1,-0.2 -75,-0.1 0.808 75.7 53.7 -60.4 -33.1 17.1 36.8 19.5 88 88 A K H 4 S+ 0 0 86 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.931 109.5 48.3 -68.5 -44.9 16.5 38.1 23.0 89 89 A N H >4 S+ 0 0 50 1,-0.2 3,-2.3 2,-0.2 4,-0.3 0.961 110.4 49.7 -58.5 -53.8 20.0 37.1 24.0 90 90 A M H >< S+ 0 0 0 -4,-2.7 3,-2.5 1,-0.3 -1,-0.2 0.859 97.6 70.5 -53.3 -38.1 21.6 38.8 20.9 91 91 A D T 3< S+ 0 0 11 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.713 102.4 44.6 -53.4 -21.8 19.5 41.9 21.8 92 92 A D T < S+ 0 0 12 -3,-2.3 -1,-0.3 -4,-0.5 -2,-0.2 0.402 81.5 128.7-103.9 -0.3 21.9 42.4 24.8 93 93 A M X - 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