==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-SEP-12 4H2F . COMPND 2 MOLECULE: 5'-NUCLEOTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N STRAETER,K.M KNAPP,M ZEBISCH,J PIPPEL . 524 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 14.7 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 . 3 0.6 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-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 . 34 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 4 1 2 1 0 0 2 1 1 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 5 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 PARALLEL BRIDGES PER LADDER . 3 1 2 3 3 1 2 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 2 1 1 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 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 26 A P 0 0 121 0, 0.0 2,-0.5 0, 0.0 269,-0.2 0.000 360.0 360.0 360.0 158.8 6.1 -5.1 -23.1 2 27 A W E -A 269 0A 40 267,-2.4 267,-2.5 268,-0.1 2,-0.4 -0.912 360.0-149.5-110.0 131.4 6.3 -3.0 -19.9 3 28 A E E -A 268 0A 55 -2,-0.5 2,-0.4 265,-0.2 49,-0.3 -0.880 11.2-169.7-111.3 135.7 4.7 0.4 -20.2 4 29 A L E -A 267 0A 0 263,-2.5 263,-2.7 -2,-0.4 2,-0.5 -0.938 10.1-151.8-118.4 136.9 6.0 3.4 -18.3 5 30 A T E -Ab 266 53A 2 47,-2.9 49,-2.3 -2,-0.4 2,-0.6 -0.974 11.0-161.6-107.0 125.2 4.0 6.8 -18.1 6 31 A I E -Ab 265 54A 0 259,-3.2 259,-2.6 -2,-0.5 2,-0.4 -0.929 5.7-171.9-106.9 122.6 6.3 9.8 -17.6 7 32 A L E +Ab 264 55A 0 47,-3.1 49,-2.7 -2,-0.6 2,-0.4 -0.890 18.1 177.4-107.2 137.8 4.6 12.9 -16.3 8 33 A H E -Ab 263 56A 0 255,-1.3 255,-2.8 -2,-0.4 2,-0.3 -0.998 22.5-173.5-151.2 148.1 6.8 15.9 -16.3 9 34 A T E + b 0 57A 2 47,-2.2 49,-2.6 -2,-0.4 2,-0.3 -0.908 10.1 177.5-129.6 162.9 7.0 19.7 -15.6 10 35 A N + 0 0 3 245,-0.3 249,-0.5 -2,-0.3 50,-0.2 -0.972 59.7 18.1-160.1 152.4 9.8 22.2 -16.2 11 36 A D + 0 0 0 48,-2.9 247,-3.0 -2,-0.3 49,-0.2 0.842 60.8 160.7 54.3 44.4 10.3 26.0 -15.8 12 37 A V > - 0 0 7 47,-0.4 3,-1.4 245,-0.2 49,-0.2 0.821 28.4-160.0 -67.3 -30.3 7.4 26.3 -13.4 13 38 A H T 3 - 0 0 0 47,-2.7 49,-0.2 1,-0.3 48,-0.2 0.887 63.1 -56.7 54.8 49.5 9.0 29.6 -12.2 14 39 A S T 3 S+ 0 0 0 47,-1.9 2,-1.9 1,-0.2 3,-0.4 0.662 89.4 147.0 62.6 19.3 7.2 29.9 -8.8 15 40 A R < + 0 0 3 -3,-1.4 20,-0.4 1,-0.2 -1,-0.2 -0.447 11.5 147.9 -84.1 70.0 3.7 29.7 -10.4 16 41 A L + 0 0 3 -2,-1.9 20,-2.1 19,-0.2 21,-0.5 0.869 57.7 58.0 -71.2 -39.1 2.3 27.8 -7.4 17 42 A E S S- 0 0 48 -3,-0.4 18,-0.3 18,-0.2 16,-0.1 -0.613 104.7 -88.9 -89.4 155.9 -1.1 29.3 -7.7 18 43 A Q - 0 0 35 16,-0.2 8,-0.6 -2,-0.2 16,-0.2 -0.278 51.5-163.4 -56.7 154.7 -3.2 29.0 -10.8 19 44 A T B -GH 25 33B 6 14,-3.1 14,-2.7 1,-0.2 6,-0.2 -0.674 23.7 -84.4-132.5 174.7 -2.6 31.8 -13.4 20 45 A S > - 0 0 23 4,-2.8 3,-2.3 12,-0.2 -1,-0.2 -0.266 58.4 -89.5 -72.6 173.1 -4.1 33.4 -16.4 21 46 A E T 3 S+ 0 0 88 1,-0.3 210,-0.1 10,-0.2 -1,-0.1 0.768 129.2 51.3 -60.5 -22.4 -3.5 31.8 -19.8 22 47 A D T 3 S- 0 0 42 3,-0.1 -1,-0.3 209,-0.0 3,-0.1 0.258 121.0-103.0 -99.5 16.9 -0.3 33.9 -20.2 23 48 A S S < S+ 0 0 4 -3,-2.3 -2,-0.1 1,-0.3 3,-0.1 0.482 86.0 118.4 81.7 -2.8 1.2 33.0 -16.8 24 49 A S S S- 0 0 8 1,-0.2 -4,-2.8 371,-0.1 -1,-0.3 -0.239 79.8 -51.7 -85.9 179.3 0.3 36.4 -15.2 25 50 A K B -G 19 0B 97 368,-0.7 2,-0.5 -6,-0.2 -1,-0.2 -0.294 61.4-109.2 -57.7 140.4 -2.0 36.8 -12.2 26 51 A a + 0 0 30 -8,-0.6 3,-0.2 1,-0.2 -1,-0.1 -0.608 46.5 165.0 -74.8 114.7 -5.4 35.0 -12.6 27 52 A V + 0 0 117 -2,-0.5 2,-1.1 1,-0.2 -1,-0.2 0.841 69.1 52.3-102.2 -51.3 -7.9 37.9 -13.1 28 53 A D S > S- 0 0 71 1,-0.1 3,-3.2 3,-0.1 -1,-0.2 -0.674 76.7-158.4 -89.2 90.4 -10.9 35.9 -14.4 29 54 A A T 3 S+ 0 0 75 -2,-1.1 3,-0.3 1,-0.3 -1,-0.1 0.577 86.5 54.7 -51.1 -16.7 -11.2 33.2 -11.7 30 55 A S T 3 S+ 0 0 78 1,-0.2 -1,-0.3 -3,-0.0 257,-0.1 0.438 107.4 46.4-101.5 -0.9 -13.1 30.8 -14.1 31 56 A R S < S+ 0 0 179 -3,-3.2 -1,-0.2 255,-0.1 -10,-0.2 0.023 84.6 129.2-115.2 24.1 -10.5 30.8 -17.0 32 57 A a - 0 0 2 -3,-0.3 255,-0.3 -4,-0.2 2,-0.3 -0.324 37.1-165.5 -79.9 165.5 -7.4 30.2 -14.8 33 58 A M B +H 19 0B 25 -14,-2.7 -14,-3.1 253,-0.2 253,-0.2 -0.948 38.9 9.0-143.1 165.8 -4.9 27.5 -15.6 34 59 A G + 0 0 0 251,-2.8 4,-0.4 226,-0.4 -16,-0.2 -0.234 53.5 137.7 63.5-152.4 -2.1 25.6 -14.0 35 60 A G > - 0 0 4 -20,-0.4 4,-2.0 223,-0.3 -18,-0.2 0.120 68.0 -89.1 79.9 155.6 -1.0 25.8 -10.3 36 61 A V H > S+ 0 0 12 -20,-2.1 4,-2.7 1,-0.2 5,-0.1 0.782 121.3 60.1 -71.3 -28.1 -0.0 22.9 -8.2 37 62 A A H > S+ 0 0 2 -21,-0.5 255,-2.1 2,-0.2 4,-1.6 0.910 110.4 41.0 -69.1 -41.6 -3.5 22.1 -6.9 38 63 A R H > S+ 0 0 10 -4,-0.4 4,-1.8 253,-0.3 -2,-0.2 0.892 113.3 55.3 -70.5 -40.0 -4.8 21.5 -10.4 39 64 A L H X S+ 0 0 6 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.946 105.7 52.5 -51.3 -49.2 -1.6 19.6 -11.3 40 65 A F H X S+ 0 0 17 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.911 105.1 54.8 -58.1 -42.7 -2.1 17.3 -8.4 41 66 A T H X S+ 0 0 26 -4,-1.6 4,-2.1 249,-0.2 -1,-0.2 0.928 112.9 41.6 -51.9 -49.3 -5.7 16.4 -9.5 42 67 A K H X S+ 0 0 34 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.921 114.5 50.5 -74.0 -40.9 -4.5 15.4 -13.0 43 68 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.922 111.3 49.8 -62.2 -44.1 -1.4 13.5 -11.7 44 69 A Q H X S+ 0 0 26 -4,-3.1 4,-1.8 -5,-0.3 -1,-0.2 0.904 108.4 52.6 -62.9 -40.1 -3.6 11.6 -9.1 45 70 A Q H X S+ 0 0 98 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.906 112.0 45.1 -59.9 -43.1 -6.0 10.6 -11.8 46 71 A I H X S+ 0 0 12 -4,-2.0 4,-2.6 1,-0.2 3,-0.4 0.936 109.3 55.6 -69.6 -38.1 -3.3 9.2 -14.0 47 72 A R H < S+ 0 0 46 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.844 109.1 48.2 -60.7 -33.7 -1.6 7.4 -11.1 48 73 A R H < S+ 0 0 187 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.803 116.7 42.4 -72.6 -30.4 -5.0 5.7 -10.5 49 74 A A H < S+ 0 0 70 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.1 0.760 112.6 53.5 -86.0 -27.6 -5.4 4.7 -14.1 50 75 A E < - 0 0 39 -4,-2.6 3,-0.2 1,-0.1 -1,-0.1 -0.883 64.5-148.1-119.0 140.7 -1.8 3.6 -14.9 51 76 A P S S+ 0 0 111 0, 0.0 2,-0.6 0, 0.0 91,-0.2 0.881 87.0 40.1 -78.6 -32.1 0.4 1.1 -13.2 52 77 A N S S+ 0 0 17 -49,-0.3 -47,-2.9 89,-0.1 2,-0.4 -0.886 72.8 161.0-121.2 99.6 3.9 2.5 -13.7 53 78 A V E -b 5 0A 21 -2,-0.6 2,-0.4 -49,-0.2 -47,-0.2 -0.953 19.3-173.1-129.1 136.6 4.1 6.3 -13.3 54 79 A L E -b 6 0A 2 -49,-2.3 -47,-3.1 -2,-0.4 2,-0.5 -0.983 10.0-157.6-120.0 141.1 7.0 8.7 -12.7 55 80 A L E +b 7 0A 0 -2,-0.4 31,-3.2 29,-0.2 32,-1.1 -0.985 23.1 177.5-119.0 119.9 6.5 12.4 -12.1 56 81 A L E -bc 8 87A 0 -49,-2.7 -47,-2.2 -2,-0.5 2,-0.4 -0.911 21.9-154.0-125.3 151.3 9.7 14.4 -12.9 57 82 A D E -bc 9 88A 0 30,-1.9 32,-2.5 -2,-0.4 -47,-0.2 -0.974 6.4-155.0-125.1 135.0 10.6 18.0 -12.9 58 83 A A - 0 0 0 -49,-2.6 -48,-0.1 -2,-0.4 30,-0.1 0.129 53.1 -90.1 -99.6 21.5 13.4 19.3 -15.2 59 84 A G S S+ 0 0 0 -50,-0.2 -48,-2.9 32,-0.1 -47,-0.4 -0.137 87.5 91.7 108.3 169.3 14.4 22.4 -13.1 60 85 A D + 0 0 0 -49,-0.2 -47,-2.7 -50,-0.2 -46,-0.1 0.863 41.0 137.3 61.7 47.0 13.7 26.2 -12.6 61 86 A Q + 0 0 8 -49,-0.2 -47,-1.9 -48,-0.2 -46,-0.1 0.843 56.4 84.1 -74.3 -35.6 11.0 25.8 -9.9 62 87 A Y S S+ 0 0 0 -49,-0.2 -49,-0.2 -48,-0.1 31,-0.1 -0.325 78.9 24.3 -64.3 147.4 12.8 28.7 -8.2 63 88 A Q S S+ 0 0 7 2,-0.1 -48,-0.1 -50,-0.1 3,-0.1 0.733 70.4 83.5 86.4 129.4 12.1 32.4 -9.1 64 89 A G S S+ 0 0 0 1,-0.4 434,-2.4 -50,-0.1 2,-0.3 0.136 79.8 39.3 144.7 -29.9 9.2 34.4 -10.6 65 90 A T S >> S- 0 0 2 432,-0.2 4,-1.7 436,-0.1 3,-0.9 -0.860 89.0 -87.3-139.7 174.2 6.5 35.4 -8.0 66 91 A I H 3> S+ 0 0 7 -2,-0.3 4,-2.5 1,-0.2 5,-0.4 0.781 116.3 71.8 -55.5 -28.4 5.9 36.5 -4.5 67 92 A W H 3> S+ 0 0 4 -53,-0.3 4,-2.5 1,-0.2 5,-0.4 0.934 103.9 38.6 -56.3 -45.9 5.9 32.9 -3.4 68 93 A F H <> S+ 0 0 5 -3,-0.9 4,-1.8 3,-0.2 -1,-0.2 0.868 112.5 57.2 -74.5 -32.1 9.7 32.6 -4.0 69 94 A T H < S+ 0 0 21 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.903 119.3 30.5 -61.1 -41.6 10.4 36.1 -2.6 70 95 A V H < S+ 0 0 29 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.902 132.2 30.8 -86.4 -43.0 8.7 35.3 0.7 71 96 A Y H >< S- 0 0 37 -4,-2.5 3,-2.1 -5,-0.4 -3,-0.2 0.663 83.0-153.5 -98.3 -18.0 9.4 31.5 1.1 72 97 A K T 3< S- 0 0 109 -4,-1.8 -4,-0.1 -5,-0.4 -3,-0.1 0.729 75.2 -35.8 57.0 32.8 12.7 31.3 -0.8 73 98 A G T 3> S+ 0 0 0 -6,-0.3 4,-2.4 32,-0.1 -1,-0.3 0.139 115.6 101.5 109.2 -19.9 12.4 27.6 -1.9 74 99 A A H <> S+ 0 0 40 -3,-2.1 4,-2.4 1,-0.2 5,-0.1 0.871 85.0 52.4 -65.0 -33.0 10.6 26.2 1.2 75 100 A E H > S+ 0 0 0 -8,-0.2 4,-2.4 2,-0.2 5,-0.3 0.813 106.2 53.7 -67.3 -31.7 7.4 26.4 -0.8 76 101 A V H > S+ 0 0 0 2,-0.2 4,-2.8 3,-0.2 5,-0.4 0.978 112.3 43.4 -68.2 -50.5 9.0 24.4 -3.7 77 102 A A H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 34,-0.3 0.945 116.2 48.9 -61.1 -46.0 10.1 21.6 -1.3 78 103 A H H X S+ 0 0 61 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.930 117.7 36.8 -60.0 -52.1 6.7 21.6 0.5 79 104 A F H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.879 115.9 51.3 -75.9 -32.6 4.5 21.4 -2.6 80 105 A M H X>S+ 0 0 3 -4,-2.8 5,-2.0 -5,-0.3 4,-0.6 0.886 112.8 49.7 -68.8 -32.6 6.8 19.1 -4.7 81 106 A N H ><5S+ 0 0 25 -4,-2.3 3,-0.8 -5,-0.4 -2,-0.2 0.923 108.8 50.9 -64.4 -44.1 6.8 16.8 -1.7 82 107 A A H 3<5S+ 0 0 31 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.856 111.2 48.1 -62.1 -34.2 3.0 17.0 -1.5 83 108 A L H 3<5S- 0 0 1 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.558 109.7-129.2 -79.3 -12.0 2.7 16.1 -5.2 84 109 A R T <<5 - 0 0 127 -3,-0.8 -29,-0.2 -4,-0.6 -3,-0.2 0.923 29.4-165.0 58.7 53.0 5.2 13.2 -4.6 85 110 A Y < - 0 0 9 -5,-2.0 -29,-0.2 1,-0.1 -1,-0.1 -0.390 14.5-146.4 -56.6 141.7 7.6 14.1 -7.4 86 111 A D S S- 0 0 50 -31,-3.2 2,-0.3 1,-0.3 -30,-0.2 0.745 70.3 -17.6 -84.4 -26.1 9.9 11.2 -8.1 87 112 A A E -c 56 0A 0 -32,-1.1 -30,-1.9 25,-0.2 2,-0.3 -0.941 54.7-156.0-168.7 162.4 13.0 13.3 -9.1 88 113 A M E -cd 57 114A 0 25,-2.0 27,-3.1 -2,-0.3 2,-0.4 -0.993 12.4-139.6-144.5 142.9 14.0 16.7 -10.1 89 114 A A E - d 0 115A 0 -32,-2.5 2,-0.3 -2,-0.3 27,-0.2 -0.826 32.3-109.5 -94.9 147.6 17.0 18.1 -12.1 90 115 A L - 0 0 1 25,-1.9 105,-0.4 -2,-0.4 2,-0.2 -0.549 35.4-166.3 -72.8 132.8 18.7 21.3 -10.9 91 116 A G > - 0 0 0 -2,-0.3 3,-0.7 61,-0.1 4,-0.3 -0.565 37.7 -95.2-106.4-178.2 18.1 24.3 -13.3 92 117 A N G > S+ 0 0 0 1,-0.2 3,-2.0 -2,-0.2 69,-0.3 0.870 119.7 59.6 -64.5 -36.1 19.9 27.7 -13.3 93 118 A H G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.743 87.0 75.0 -71.3 -20.3 17.3 29.5 -11.1 94 119 A E G < S+ 0 0 0 -3,-0.7 -1,-0.3 1,-0.3 3,-0.3 0.703 97.0 50.6 -63.1 -11.6 17.9 27.0 -8.3 95 120 A F G X S+ 0 0 2 -3,-2.0 3,-2.4 -4,-0.3 66,-0.8 0.321 76.1 106.8-101.9 9.4 21.1 29.0 -7.8 96 121 A D T < S+ 0 0 7 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.778 86.6 38.8 -65.3 -28.6 19.6 32.4 -7.7 97 122 A N T 3> S- 0 0 72 1,-0.4 4,-1.1 -3,-0.3 -1,-0.3 -0.020 124.0-103.9-103.0 24.4 20.0 32.8 -3.9 98 123 A G T <4 - 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