==== 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/HYDROLASE INHIBITOR 12-SEP-12 4H2B . COMPND 2 MOLECULE: 5'-NUCLEOTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.ZEBISCH,J.PIPPEL,K.KNAPP,N.STRAETER . 524 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 67.2 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 . 76 14.5 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 . 1 0.2 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 . 41 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 21.6 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 0 3 1 0 1 1 0 2 1 2 0 0 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 3 2 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 0 126 0, 0.0 2,-0.5 0, 0.0 269,-0.2 0.000 360.0 360.0 360.0 150.8 20.1 58.4 8.1 2 27 A W E -A 269 0A 41 267,-2.5 267,-2.5 2,-0.0 2,-0.5 -0.933 360.0-150.4-103.5 124.2 20.6 55.0 6.5 3 28 A E E -A 268 0A 66 -2,-0.5 2,-0.4 265,-0.2 49,-0.3 -0.833 12.0-170.6-108.1 122.9 18.4 52.4 8.3 4 29 A L E -A 267 0A 0 263,-2.7 263,-3.1 -2,-0.5 2,-0.6 -0.946 11.1-152.5-110.8 136.7 19.5 48.7 8.5 5 30 A T E -Ab 266 53A 1 47,-3.2 49,-2.4 -2,-0.4 2,-0.6 -0.918 11.1-161.9-106.6 114.9 17.3 45.9 9.8 6 31 A I E -Ab 265 54A 0 259,-3.2 259,-2.7 -2,-0.6 2,-0.5 -0.913 4.6-170.6 -99.6 114.1 19.3 43.0 11.3 7 32 A L E +Ab 264 55A 0 47,-3.4 49,-2.9 -2,-0.6 2,-0.4 -0.898 18.2 179.0 -96.4 137.0 17.4 39.8 11.6 8 33 A H E -Ab 263 56A 0 255,-1.8 255,-2.8 -2,-0.5 2,-0.3 -0.988 23.6-174.3-153.1 143.5 19.3 37.1 13.5 9 34 A T E + b 0 57A 2 47,-2.2 49,-2.7 -2,-0.4 2,-0.3 -0.896 10.3 179.5-125.8 157.6 19.2 33.6 14.9 10 35 A N + 0 0 3 245,-0.3 249,-0.4 -2,-0.3 50,-0.2 -0.971 62.4 11.7-157.3 144.8 21.6 31.7 17.2 11 36 A D + 0 0 0 48,-2.7 247,-3.1 -2,-0.3 49,-0.2 0.836 63.0 160.7 57.5 39.3 21.9 28.3 18.7 12 37 A V > - 0 0 6 47,-0.4 3,-1.2 245,-0.3 49,-0.2 0.864 26.3-165.2 -62.7 -34.6 19.0 27.0 16.6 13 38 A H T 3 - 0 0 8 47,-2.5 48,-0.2 1,-0.3 49,-0.2 0.904 61.4 -51.4 51.3 52.6 20.4 23.5 17.4 14 39 A S T 3 S+ 0 0 1 47,-1.3 2,-1.9 1,-0.2 3,-0.4 0.633 87.4 146.5 69.2 20.1 18.6 21.4 14.9 15 40 A R < + 0 0 21 -3,-1.2 20,-0.4 1,-0.2 -1,-0.2 -0.468 11.7 145.8 -85.0 66.0 15.1 22.7 15.7 16 41 A L + 0 0 3 -2,-1.9 20,-2.2 19,-0.2 21,-0.5 0.868 60.4 57.6 -71.5 -35.5 14.0 22.4 12.0 17 42 A E S S- 0 0 50 -3,-0.4 18,-0.4 18,-0.2 16,-0.1 -0.589 103.8 -92.2 -91.8 152.0 10.5 21.5 13.1 18 43 A Q - 0 0 28 16,-0.2 8,-0.6 -2,-0.2 2,-0.2 -0.302 50.9-157.1 -58.4 153.5 8.3 23.6 15.3 19 44 A T B -GH 25 33B 6 14,-2.7 14,-2.7 6,-0.2 6,-0.2 -0.744 20.2 -86.5-128.9 170.3 8.6 22.7 19.0 20 45 A S > - 0 0 19 4,-2.7 3,-2.0 -2,-0.2 -1,-0.2 -0.229 57.3 -90.5 -63.4 173.8 6.8 22.9 22.3 21 46 A E T 3 S+ 0 0 64 1,-0.3 210,-0.1 2,-0.1 -1,-0.1 0.805 131.9 51.4 -61.8 -24.5 7.1 26.1 24.3 22 47 A D T 3 S- 0 0 99 3,-0.1 -1,-0.3 209,-0.0 3,-0.1 0.212 122.4-107.9 -98.2 15.2 10.1 24.5 26.1 23 48 A S S < S+ 0 0 0 -3,-2.0 -2,-0.1 1,-0.2 3,-0.1 0.583 83.2 118.0 73.9 14.8 11.7 23.7 22.7 24 49 A S S S- 0 0 27 1,-0.2 -4,-2.7 -5,-0.0 -1,-0.2 -0.178 78.0 -37.2 -91.7-167.7 11.0 19.9 23.0 25 50 A K B -G 19 0B 142 366,-0.3 2,-0.4 -6,-0.2 -1,-0.2 -0.224 65.2-115.3 -57.3 133.9 8.9 17.8 20.7 26 51 A a + 0 0 30 -8,-0.6 3,-0.2 1,-0.2 -1,-0.1 -0.597 47.0 158.6 -65.5 120.5 5.7 19.6 19.5 27 52 A V + 0 0 135 -2,-0.4 2,-1.0 1,-0.2 -1,-0.2 0.696 68.8 42.6-109.1 -50.5 2.8 17.8 20.9 28 53 A D S > S- 0 0 72 1,-0.2 3,-2.6 3,-0.1 -1,-0.2 -0.814 73.4-167.6-104.2 89.8 -0.1 20.3 20.8 29 54 A A G > S+ 0 0 55 -2,-1.0 3,-2.6 1,-0.3 -1,-0.2 0.836 80.7 64.6 -51.2 -39.7 0.5 21.8 17.3 30 55 A S G 3 S+ 0 0 85 1,-0.3 -1,-0.3 -3,-0.1 257,-0.1 0.671 111.7 38.2 -62.7 -13.0 -1.9 24.7 17.8 31 56 A R G < S+ 0 0 187 -3,-2.6 -1,-0.3 255,-0.1 -2,-0.2 0.188 92.2 120.0-114.3 9.7 0.4 25.9 20.6 32 57 A a < - 0 0 2 -3,-2.6 2,-0.3 -4,-0.1 255,-0.2 -0.258 43.2-156.5 -80.8 169.8 3.8 25.1 19.0 33 58 A M B +H 19 0B 15 -14,-2.7 -14,-2.7 253,-0.1 253,-0.2 -0.918 40.4 4.7-140.8 161.0 6.6 27.5 18.2 34 59 A G + 0 0 0 251,-3.0 4,-0.4 226,-0.4 -16,-0.2 -0.213 52.1 140.0 66.6-157.4 9.5 28.1 16.0 35 60 A G > - 0 0 4 -20,-0.4 4,-2.0 -18,-0.4 -18,-0.2 0.154 66.2 -90.0 87.7 157.0 10.7 25.8 13.2 36 61 A V H > S+ 0 0 13 -20,-2.2 4,-2.9 1,-0.2 5,-0.2 0.814 121.4 60.9 -74.9 -28.1 12.1 26.9 9.9 37 62 A A H > S+ 0 0 2 -21,-0.5 255,-1.9 2,-0.2 4,-1.5 0.901 110.8 41.2 -67.5 -40.8 8.7 27.0 8.0 38 63 A R H > S+ 0 0 10 -4,-0.4 4,-2.0 253,-0.3 -2,-0.2 0.903 113.0 54.5 -69.6 -41.6 7.4 29.7 10.5 39 64 A L H X S+ 0 0 10 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.948 104.8 55.1 -56.9 -43.7 10.7 31.5 10.4 40 65 A F H X S+ 0 0 43 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.921 106.1 51.7 -53.2 -51.9 10.4 31.7 6.6 41 66 A T H X S+ 0 0 12 -4,-1.5 4,-2.0 249,-0.2 -1,-0.2 0.929 113.3 43.2 -48.4 -52.8 7.0 33.3 6.9 42 67 A K H X S+ 0 0 41 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.927 113.1 49.9 -65.9 -44.6 8.2 36.0 9.3 43 68 A V H X S+ 0 0 3 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.938 111.7 50.6 -62.5 -41.1 11.5 36.8 7.4 44 69 A Q H X S+ 0 0 79 -4,-2.7 4,-1.3 -5,-0.3 -1,-0.2 0.910 109.2 50.7 -63.0 -40.0 9.5 37.1 4.2 45 70 A Q H X S+ 0 0 69 -4,-2.0 4,-1.0 -5,-0.2 3,-0.2 0.915 111.7 47.6 -63.5 -42.0 7.1 39.4 5.7 46 71 A I H >X S+ 0 0 15 -4,-2.4 4,-2.4 1,-0.2 3,-0.6 0.915 108.9 53.7 -69.5 -41.8 9.9 41.7 7.1 47 72 A R H 3< S+ 0 0 83 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.788 103.9 56.2 -65.5 -22.8 11.7 41.7 3.8 48 73 A R H 3< S+ 0 0 174 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.849 116.6 36.5 -69.5 -34.5 8.5 42.9 2.1 49 74 A A H << S+ 0 0 70 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.1 0.729 111.5 55.5 -89.5 -30.1 8.4 45.9 4.4 50 75 A E < - 0 0 38 -4,-2.4 3,-0.1 1,-0.1 -1,-0.1 -0.948 61.9-154.5-116.0 132.3 12.0 47.0 5.1 51 76 A P S S+ 0 0 115 0, 0.0 2,-0.6 0, 0.0 91,-0.2 0.792 83.8 47.9 -76.0 -30.0 14.4 47.9 2.3 52 77 A N S S+ 0 0 23 -49,-0.3 -47,-3.2 89,-0.1 2,-0.4 -0.867 74.1 158.6-120.0 98.8 17.7 47.1 3.9 53 78 A V E -b 5 0A 21 -2,-0.6 2,-0.4 -49,-0.2 -47,-0.2 -0.947 21.4-172.8-127.8 131.4 17.7 43.7 5.6 54 79 A L E -b 6 0A 2 -49,-2.4 -47,-3.4 -2,-0.4 2,-0.6 -0.998 10.1-157.0-118.5 136.2 20.3 41.3 6.7 55 80 A L E +b 7 0A 0 -2,-0.4 31,-3.2 29,-0.2 32,-1.0 -0.956 23.7 177.7-112.3 115.4 19.6 37.8 8.0 56 81 A L E -bc 8 87A 0 -49,-2.9 -47,-2.2 -2,-0.6 2,-0.4 -0.878 22.2-154.6-124.0 145.5 22.4 36.5 10.1 57 82 A D E -bc 9 88A 0 30,-2.0 32,-2.4 -2,-0.3 -47,-0.2 -0.991 6.6-155.9-122.3 133.4 23.1 33.4 12.1 58 83 A A - 0 0 0 -49,-2.7 -48,-0.2 -2,-0.4 30,-0.1 0.147 53.9 -95.5 -95.5 23.3 25.6 33.4 15.1 59 84 A G S S+ 0 0 0 -50,-0.2 -48,-2.7 32,-0.1 -47,-0.4 -0.129 86.5 95.9 94.0 173.9 26.3 29.7 14.9 60 85 A D + 0 0 0 -49,-0.2 -47,-2.5 -50,-0.2 -46,-0.1 0.852 38.1 137.7 63.2 48.1 25.3 26.4 16.5 61 86 A Q + 0 0 6 -49,-0.2 -47,-1.3 -50,-0.2 12,-0.1 0.818 58.5 82.6 -69.9 -40.7 22.9 25.3 13.8 62 87 A Y S S+ 0 0 0 -49,-0.2 -49,-0.2 -48,-0.1 31,-0.1 -0.402 80.2 27.8 -64.8 149.6 24.5 21.8 14.3 63 88 A Q S S+ 0 0 4 2,-0.1 3,-0.1 -50,-0.1 30,-0.1 0.772 71.8 90.6 80.4 125.9 23.5 19.4 17.0 64 89 A G S S+ 0 0 4 1,-0.4 2,-0.3 -50,-0.1 -50,-0.1 0.190 78.2 25.1 156.3 -32.0 20.2 19.1 18.8 65 90 A T S >> S- 0 0 23 433,-0.1 3,-1.5 435,-0.0 4,-1.5 -0.930 88.1 -83.6-144.6 179.0 17.7 16.6 17.3 66 91 A I H 3> S+ 0 0 24 -2,-0.3 4,-2.4 1,-0.3 5,-0.3 0.704 117.5 73.2 -58.6 -21.5 17.5 13.5 15.1 67 92 A W H 3> S+ 0 0 4 -53,-0.3 4,-2.7 1,-0.2 5,-0.4 0.932 102.0 40.3 -59.6 -43.2 17.7 15.9 12.1 68 93 A F H <> S+ 0 0 2 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.866 111.9 56.9 -73.7 -39.7 21.4 16.4 12.8 69 94 A T H < S+ 0 0 21 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.929 120.1 28.8 -54.2 -43.4 21.9 12.8 13.6 70 95 A V H < S+ 0 0 35 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.910 130.3 33.4 -86.8 -52.9 20.6 11.6 10.3 71 96 A Y H >< S- 0 0 36 -4,-2.7 3,-2.2 -5,-0.3 -3,-0.2 0.660 84.8-152.4 -89.4 -13.7 21.4 14.5 7.8 72 97 A K T 3< S- 0 0 123 -4,-1.6 34,-0.2 -5,-0.4 -4,-0.1 0.695 73.9 -36.1 55.4 30.8 24.6 15.6 9.5 73 98 A G T 3> S+ 0 0 0 -6,-0.3 4,-2.2 32,-0.1 -1,-0.3 0.182 115.5 103.1 107.4 -18.7 24.4 19.2 8.4 74 99 A A H <> S+ 0 0 35 -3,-2.2 4,-2.6 1,-0.2 5,-0.2 0.858 84.0 54.4 -67.6 -29.8 22.9 18.8 4.9 75 100 A E H > S+ 0 0 0 -8,-0.2 4,-2.7 2,-0.2 5,-0.3 0.856 105.3 52.4 -68.7 -34.5 19.7 19.9 6.5 76 101 A V H > S+ 0 0 0 2,-0.2 4,-2.7 3,-0.2 5,-0.4 0.963 112.6 43.8 -65.7 -54.0 21.3 23.1 7.7 77 102 A A H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 34,-0.2 0.955 116.0 48.0 -53.3 -46.3 22.7 24.0 4.3 78 103 A H H X S+ 0 0 68 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.938 118.6 36.7 -67.8 -50.7 19.5 23.1 2.6 79 104 A F H X S+ 0 0 2 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.865 116.0 51.8 -74.2 -34.4 17.1 25.1 4.9 80 105 A M H <>S+ 0 0 3 -4,-2.7 5,-1.8 -5,-0.3 4,-0.5 0.896 110.8 50.7 -65.5 -35.3 19.4 28.0 5.6 81 106 A N H ><5S+ 0 0 25 -4,-2.3 3,-1.0 -5,-0.4 -2,-0.2 0.912 107.5 53.2 -63.4 -41.6 19.8 28.3 1.8 82 107 A A H 3<5S+ 0 0 38 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.836 109.6 47.5 -68.3 -31.5 16.0 28.3 1.4 83 108 A L T 3<5S- 0 0 2 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.483 110.2-128.7 -82.7 -5.2 15.7 31.1 4.0 84 109 A R T < 5 - 0 0 173 -3,-1.0 -29,-0.2 -4,-0.5 -3,-0.2 0.919 29.6-162.9 58.5 50.1 18.4 33.0 2.1 85 110 A Y < - 0 0 11 -5,-1.8 -29,-0.2 1,-0.1 -1,-0.1 -0.334 13.2-148.0 -53.3 143.8 20.7 33.7 5.1 86 111 A D S S- 0 0 48 -31,-3.2 2,-0.3 1,-0.4 -30,-0.2 0.743 70.3 -13.1 -88.8 -32.5 23.1 36.5 4.3 87 112 A A E -c 56 0A 0 -32,-1.0 -30,-2.0 25,-0.2 2,-0.4 -0.949 54.5-158.2-164.0 155.8 25.9 35.2 6.6 88 113 A M E -cd 57 114A 0 25,-2.1 27,-2.7 -2,-0.3 2,-0.3 -0.998 12.3-141.9-139.3 141.3 26.6 32.7 9.4 89 114 A A E - d 0 115A 0 -32,-2.4 2,-0.3 -2,-0.4 27,-0.2 -0.765 33.1-104.9 -95.6 144.8 29.4 32.6 12.0 90 115 A L - 0 0 0 25,-2.2 105,-0.4 -2,-0.3 63,-0.2 -0.522 36.8-161.1 -71.3 129.3 30.9 29.2 13.0 91 116 A G > - 0 0 0 -2,-0.3 3,-0.6 61,-0.1 4,-0.2 -0.532 33.0-102.7 -95.8 169.4 29.8 27.9 16.4 92 117 A N G > S+ 0 0 0 1,-0.2 3,-2.0 -2,-0.2 69,-0.2 0.917 119.6 56.9 -58.6 -40.2 31.4 25.3 18.6 93 118 A H G > S+ 0 0 1 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.673 86.1 77.6 -73.1 -13.6 28.9 22.7 17.6 94 119 A E G < S+ 0 0 0 -3,-0.6 -1,-0.3 1,-0.2 3,-0.2 0.633 94.7 53.0 -62.8 -14.9 29.8 23.1 13.9 95 120 A F G X S+ 0 0 2 -3,-2.0 3,-2.0 -4,-0.2 66,-0.7 0.254 74.7 107.2 -99.5 10.5 32.9 21.1 14.8 96 121 A D T < S+ 0 0 8 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.827 86.1 40.2 -63.0 -33.3 31.0 18.1 16.4 97 122 A N T 3> S- 0 0 77 1,-0.4 4,-1.1 -4,-0.2 -1,-0.3 0.055 122.6-105.1-104.0 29.6 31.7 15.9 13.4 98 123 A G T <4 - 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