==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 17-SEP-12 4H4B . COMPND 2 MOLECULE: CYTOSOLIC PURINE 5'-NUCLEOTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.RHIMI,N.AGHAJARI . 468 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 . 32 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 1 3 0 2 1 1 1 2 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 3 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 . 3 4 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 1 0 0 0 1 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 3 A T 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 80.4 -7.5 37.1 32.7 2 4 A S > - 0 0 27 58,-0.2 4,-0.5 1,-0.0 0, 0.0 0.375 360.0 -81.3 -76.9-149.8 -6.6 34.6 35.5 3 5 A W H > S+ 0 0 29 2,-0.2 4,-1.7 1,-0.1 5,-0.1 0.761 121.8 56.8 -99.1 -32.1 -3.4 34.2 37.5 4 6 A S H > S+ 0 0 1 56,-0.3 4,-2.3 2,-0.2 5,-0.1 0.763 103.5 59.3 -71.6 -23.0 -1.1 32.2 35.2 5 7 A D H > S+ 0 0 61 55,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.909 103.9 50.6 -62.0 -47.8 -1.7 35.1 32.7 6 8 A R H X S+ 0 0 56 -4,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.924 112.1 46.7 -52.9 -51.0 -0.2 37.5 35.3 7 9 A L H X S+ 0 0 20 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.888 112.2 48.6 -63.6 -43.4 2.9 35.2 35.7 8 10 A Q H X S+ 0 0 33 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.712 111.7 52.3 -71.3 -20.0 3.4 34.8 32.0 9 11 A N H < S+ 0 0 107 -4,-1.5 4,-0.5 2,-0.2 3,-0.4 0.929 114.2 40.9 -71.9 -48.8 3.1 38.6 31.7 10 12 A A H >< S+ 0 0 25 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.881 113.5 56.2 -62.5 -42.3 5.8 39.1 34.4 11 13 A A H 3< S+ 0 0 5 -4,-3.0 217,-0.5 1,-0.2 218,-0.4 0.770 98.2 62.8 -56.7 -34.0 7.8 36.3 32.8 12 14 A D T 3< S+ 0 0 110 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.605 86.6 79.0 -81.3 -14.3 7.9 38.0 29.4 13 15 A M S < S- 0 0 133 -3,-1.0 216,-0.2 -4,-0.5 2,-0.1 -0.808 81.7-125.0 -92.7 131.0 9.8 41.1 30.4 14 16 A P - 0 0 94 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.474 37.1 -98.5 -66.6 148.6 13.7 40.8 30.8 15 17 A A - 0 0 25 -2,-0.1 2,-0.9 1,-0.1 7,-0.1 -0.505 20.3-140.5 -73.4 132.5 15.0 41.9 34.2 16 18 A N - 0 0 94 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.878 19.3-166.7 -86.2 105.8 16.5 45.4 34.5 17 19 A M + 0 0 57 -2,-0.9 -1,-0.1 4,-0.1 2,-0.1 0.386 44.7 124.2 -86.9 3.3 19.4 44.4 36.7 18 20 A D > - 0 0 65 1,-0.1 4,-1.2 4,-0.0 -2,-0.1 -0.426 67.6-129.6 -53.4 131.8 20.1 48.0 37.6 19 21 A K H > S+ 0 0 154 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.899 103.4 49.3 -62.0 -48.5 20.0 48.2 41.4 20 22 A H H > S+ 0 0 152 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 111.3 49.6 -53.6 -47.1 17.7 51.3 41.7 21 23 A A H > S+ 0 0 12 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.698 108.2 54.1 -72.7 -21.6 15.2 49.8 39.2 22 24 A L H X S+ 0 0 17 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.937 106.3 51.1 -72.4 -50.4 15.1 46.5 41.1 23 25 A K H < S+ 0 0 99 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.861 115.0 43.9 -51.7 -42.4 14.2 48.3 44.4 24 26 A K H >X S+ 0 0 141 -4,-1.6 3,-1.2 2,-0.2 4,-0.8 0.821 109.4 56.6 -74.7 -35.3 11.3 50.1 42.6 25 27 A Y H >< S+ 0 0 53 -4,-1.4 3,-1.0 1,-0.3 6,-0.2 0.973 106.4 49.5 -56.2 -57.6 10.2 46.9 40.8 26 28 A R T 3< S+ 0 0 21 -4,-2.2 -1,-0.3 1,-0.3 7,-0.2 0.202 93.8 77.5 -72.5 12.6 9.7 45.0 44.1 27 29 A R T <4 S+ 0 0 182 -3,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.871 78.1 79.8 -80.1 -47.9 7.7 48.0 45.4 28 30 A E S X< S- 0 0 125 -3,-1.0 3,-1.8 -4,-0.8 4,-0.3 -0.362 91.2-126.4 -62.6 136.8 4.7 46.8 43.4 29 31 A A G > S+ 0 0 32 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.742 101.7 66.4 -69.1 -30.2 3.1 44.0 45.3 30 32 A Y G 3 S+ 0 0 52 1,-0.3 -1,-0.3 413,-0.1 414,-0.2 0.635 110.7 41.9 -60.1 -14.7 3.0 41.3 42.7 31 33 A H G < S+ 0 0 23 -3,-1.8 -1,-0.3 -6,-0.2 -2,-0.2 0.411 91.8 109.5-117.0 -2.8 6.8 41.3 42.9 32 34 A R < - 0 0 74 -3,-1.3 2,-0.5 -4,-0.3 412,-0.4 -0.357 61.9-137.1 -73.5 150.2 7.3 41.6 46.6 33 35 A V - 0 0 0 -7,-0.2 2,-0.4 415,-0.1 410,-0.2 -0.957 26.2-142.8 -99.3 131.7 8.6 38.9 48.8 34 36 A F E -A 442 0A 42 408,-3.2 408,-1.9 -2,-0.5 2,-0.5 -0.795 9.2-142.5-101.6 140.1 6.5 38.8 52.0 35 37 A V E +A 441 0A 29 -2,-0.4 406,-0.2 406,-0.2 3,-0.1 -0.884 29.9 165.3-112.8 129.4 8.0 38.0 55.3 36 38 A N S S+ 0 0 37 404,-3.3 2,-0.3 -2,-0.5 405,-0.2 0.751 82.7 14.6-103.7 -35.8 6.5 36.0 58.2 37 39 A R S S- 0 0 84 403,-1.3 -1,-0.4 425,-0.0 421,-0.1 -0.986 97.0 -95.0-136.9 136.3 9.7 35.5 60.2 38 40 A S - 0 0 46 -2,-0.3 2,-0.3 422,-0.3 421,-0.2 -0.014 43.2-175.3 -49.4 148.9 12.9 37.6 59.7 39 41 A L E -I 458 0B 2 419,-2.4 419,-2.6 326,-0.0 2,-0.9 -0.948 20.5-146.1-153.9 125.3 15.5 35.9 57.5 40 42 A A E > -I 457 0B 36 -2,-0.3 3,-2.1 417,-0.2 4,-0.5 -0.838 6.2-161.9 -99.1 103.2 19.0 37.2 56.6 41 43 A M G > S+ 0 0 10 415,-1.8 3,-1.1 -2,-0.9 -1,-0.2 0.776 85.7 73.9 -57.1 -28.6 19.8 36.2 53.1 42 44 A E G 3 S+ 0 0 136 414,-0.5 -1,-0.3 413,-0.3 413,-0.1 0.846 99.3 47.6 -46.0 -37.3 23.5 36.7 53.8 43 45 A K G < S+ 0 0 149 -3,-2.1 2,-0.4 412,-0.1 -1,-0.2 0.551 81.7 103.6 -93.7 -9.5 23.3 33.5 55.8 44 46 A I < + 0 0 4 -3,-1.1 300,-0.2 -4,-0.5 299,-0.1 -0.639 40.9 175.1 -71.5 127.7 21.5 31.2 53.4 45 47 A K + 0 0 107 298,-3.2 197,-3.5 -2,-0.4 2,-0.4 0.656 63.8 35.7-104.3 -28.7 24.1 28.8 51.9 46 48 A C E -bc 242 344A 1 297,-1.3 299,-2.5 195,-0.2 2,-0.4 -0.997 61.3-159.7-132.5 137.3 21.9 26.5 49.8 47 49 A F E -bc 243 345A 1 195,-2.7 197,-2.6 -2,-0.4 2,-0.4 -0.906 18.1-168.2-108.3 136.7 18.9 27.3 47.9 48 50 A G E -bc 244 346A 0 297,-2.4 299,-2.7 -2,-0.4 2,-0.3 -0.983 2.6-151.8-131.7 148.7 16.7 24.2 47.2 49 51 A F E -bc 245 347A 0 195,-2.8 197,-2.5 -2,-0.4 2,-0.2 -0.882 17.2-151.2-125.9 147.1 13.8 23.8 44.9 50 52 A D - 0 0 11 297,-1.8 5,-0.4 -2,-0.3 197,-0.1 -0.544 21.2-152.3 -89.3 170.2 10.6 21.9 44.2 51 53 A M >>> + 0 0 0 -2,-0.2 5,-2.6 3,-0.2 3,-2.5 0.770 65.9 71.7-109.3 -68.9 9.7 21.6 40.5 52 54 A D B 345S-j 56 0C 28 1,-0.3 297,-0.3 2,-0.2 5,-0.2 -0.284 122.2 -5.0 -63.1 130.9 6.0 21.2 39.9 53 55 A Y T 345S+ 0 0 0 3,-2.1 -1,-0.3 1,-0.1 4,-0.2 0.650 134.5 64.8 52.1 18.4 4.1 24.5 40.5 54 56 A T T <45S+ 0 0 3 -3,-2.5 392,-0.3 2,-0.4 -3,-0.2 0.535 121.5 3.4-118.1 -71.1 7.4 26.0 41.8 55 57 A L T <5S+ 0 0 7 -4,-1.1 2,-0.6 -5,-0.4 -3,-0.2 0.717 139.3 47.0 -84.7 -26.5 10.0 26.1 38.9 56 58 A A B - 0 0 39 164,-1.3 4,-2.5 -2,-0.6 5,-0.3 -0.140 43.4 -99.4 -47.3 133.9 -0.8 27.6 32.9 60 62 A S T 4 S- 0 0 2 1,-0.2 -56,-0.3 2,-0.2 -58,-0.2 -0.925 87.2 -0.9-120.3 140.4 -4.4 28.0 34.1 61 63 A P T > S+ 0 0 44 0, 0.0 4,-3.3 0, 0.0 5,-0.3 -0.986 122.8 67.0 -86.4 -3.7 -7.2 26.9 33.3 62 64 A E H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.912 105.8 42.0 -47.5 -55.2 -5.6 25.0 30.5 63 65 A Y H X S+ 0 0 12 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.925 114.2 51.4 -62.1 -46.4 -3.7 22.6 32.7 64 66 A E H > S+ 0 0 3 -5,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.910 108.4 51.5 -60.5 -39.6 -6.6 22.1 35.1 65 67 A S H X S+ 0 0 41 -4,-3.3 4,-3.9 1,-0.2 5,-0.3 0.973 108.4 52.8 -59.0 -47.7 -9.1 21.3 32.3 66 68 A L H X S+ 0 0 18 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.897 111.4 45.1 -51.3 -47.7 -6.7 18.7 31.0 67 69 A G H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.936 116.3 46.9 -60.2 -46.8 -6.5 17.1 34.4 68 70 A F H X S+ 0 0 4 -4,-2.6 4,-3.6 2,-0.2 5,-0.2 0.949 112.4 47.9 -62.6 -55.5 -10.2 17.3 34.8 69 71 A E H X S+ 0 0 113 -4,-3.9 4,-3.2 1,-0.2 -1,-0.2 0.930 112.7 49.6 -51.0 -51.5 -11.0 15.9 31.3 70 72 A L H X S+ 0 0 12 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.866 114.7 44.7 -58.3 -37.5 -8.6 13.1 31.8 71 73 A T H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.887 111.0 52.0 -76.0 -39.5 -10.1 12.2 35.2 72 74 A V H X S+ 0 0 7 -4,-3.6 4,-2.3 2,-0.2 5,-0.3 0.987 112.5 48.0 -56.8 -50.0 -13.6 12.5 34.0 73 75 A E H X S+ 0 0 94 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.925 108.1 52.9 -57.2 -50.7 -12.7 10.1 31.2 74 76 A R H X S+ 0 0 67 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.898 110.5 48.7 -49.3 -48.8 -11.0 7.6 33.4 75 77 A L H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-0.3 0.863 111.8 46.8 -64.1 -41.8 -14.0 7.4 35.6 76 78 A V H ><5S+ 0 0 18 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.888 108.2 59.8 -66.0 -33.5 -16.4 6.9 32.7 77 79 A S H 3<5S+ 0 0 85 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.806 105.2 46.6 -66.0 -27.3 -14.0 4.4 31.5 78 80 A I T 3<5S- 0 0 85 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.240 135.8 -78.5 -98.2 12.4 -14.4 2.3 34.7 79 81 A G T < 5S+ 0 0 66 -3,-1.7 -3,-0.2 1,-0.4 -2,-0.1 0.380 79.9 140.8 114.8 -2.0 -18.2 2.5 34.6 80 82 A Y < - 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