==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 18-JUL-08 3DVO . COMPND 2 MOLECULE: SGRAIR RESTRICTION ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR P.W.DUNTEN,N.C.HORTON,E.J.LITTLE . 1340 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 914 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 6.0 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 . 1 0.1 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 . 73 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 181 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 455 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 1.6 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 7 10 5 0 1 5 0 0 0 1 7 6 3 0 1 0 0 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 9 1 3 2 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 PARALLEL BRIDGES PER LADDER . 8 0 4 4 4 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 . 4 0 0 4 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 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 P 0 0 40 0, 0.0 4,-0.2 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 177.6 1.1 10.0 -67.6 2 3 A F + 0 0 15 2,-0.1 2,-0.5 43,-0.1 71,-0.1 0.942 360.0 51.8 -58.2 -50.5 1.3 13.0 -65.3 3 4 A T S S- 0 0 101 1,-0.1 -1,-0.0 42,-0.1 66,-0.0 -0.761 112.3-100.4 -79.3 125.5 2.8 15.2 -68.0 4 5 A Y - 0 0 50 -2,-0.5 2,-0.4 1,-0.1 3,-0.1 -0.094 39.9-163.7 -47.6 140.4 0.4 14.8 -71.1 5 6 A S > - 0 0 35 -4,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.918 20.7-161.0-138.8 110.6 1.7 12.4 -73.8 6 7 A I H > S+ 0 0 111 -2,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.846 97.9 48.9 -51.6 -37.3 0.4 12.3 -77.3 7 8 A E H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 108.6 48.3 -75.8 -48.5 1.8 8.8 -77.6 8 9 A A H 4 S+ 0 0 32 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.903 113.8 50.5 -55.8 -42.0 0.5 7.3 -74.4 9 10 A T H >< S+ 0 0 3 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.905 107.6 53.1 -61.6 -42.5 -2.9 8.7 -75.5 10 11 A R H 3< S+ 0 0 145 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.856 106.5 53.9 -60.1 -35.8 -2.5 7.2 -78.9 11 12 A N T 3< S+ 0 0 119 -4,-2.0 2,-0.4 -5,-0.1 -1,-0.3 0.374 85.9 112.4 -84.1 4.5 -1.8 3.8 -77.3 12 13 A L < - 0 0 36 -3,-1.5 5,-0.1 -5,-0.1 -3,-0.0 -0.645 69.8-122.7 -82.6 133.2 -5.0 3.9 -75.3 13 14 A A >> - 0 0 48 -2,-0.4 3,-1.2 1,-0.1 4,-0.7 -0.260 34.2-107.4 -56.5 157.7 -7.9 1.5 -76.0 14 15 A T G >4 S+ 0 0 100 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.871 121.1 53.0 -62.6 -34.9 -11.1 3.4 -76.7 15 16 A T G 34 S+ 0 0 111 1,-0.2 -1,-0.3 5,-0.1 25,-0.1 0.595 105.9 53.9 -77.6 -10.8 -12.5 2.4 -73.3 16 17 A E G <4 S+ 0 0 94 -3,-1.2 -1,-0.2 3,-0.0 -2,-0.2 0.537 81.4 116.3 -98.0 -9.4 -9.5 3.7 -71.5 17 18 A R << - 0 0 50 -4,-0.7 23,-0.2 -3,-0.7 24,-0.1 -0.270 68.7-132.0 -61.8 146.7 -9.6 7.2 -73.1 18 19 A C S S+ 0 0 2 22,-0.2 19,-2.3 1,-0.1 2,-0.5 0.711 93.9 55.9 -76.4 -20.5 -10.3 10.1 -70.7 19 20 A I E S-A 36 0A 7 17,-0.2 2,-0.6 21,-0.1 17,-0.2 -0.963 71.5-161.7-115.3 116.5 -13.0 11.6 -72.9 20 21 A Q E -A 35 0A 51 15,-2.1 15,-2.8 -2,-0.5 2,-0.6 -0.879 12.9-141.3 -98.6 120.7 -16.0 9.3 -73.8 21 22 A D E +A 34 0A 63 -2,-0.6 13,-0.2 13,-0.2 3,-0.2 -0.700 29.0 165.9 -79.5 118.6 -18.0 10.4 -76.8 22 23 A I > + 0 0 19 11,-2.3 3,-1.4 -2,-0.6 12,-0.2 0.070 35.7 117.6-123.7 26.8 -21.7 9.7 -76.1 23 24 A R T 3 S+ 0 0 88 10,-0.3 -1,-0.1 1,-0.3 11,-0.1 0.725 85.6 43.2 -62.7 -23.4 -23.4 11.8 -78.8 24 25 A N T 3 S+ 0 0 161 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.320 118.5 44.2-103.4 6.4 -24.8 8.6 -80.2 25 26 A A S < S- 0 0 66 -3,-1.4 -1,-0.2 8,-0.1 -2,-0.1 -0.396 81.7-168.7-147.4 63.4 -25.8 7.1 -76.9 26 27 A P - 0 0 95 0, 0.0 2,-0.5 0, 0.0 5,-0.1 -0.154 24.6-120.9 -59.9 144.3 -27.5 9.9 -74.9 27 28 A V > - 0 0 53 5,-0.3 3,-1.8 3,-0.1 5,-0.1 -0.780 44.4-101.3 -80.0 127.3 -28.2 9.6 -71.2 28 29 A R T 3 S+ 0 0 125 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 -0.198 104.1 9.5 -52.2 137.0 -32.0 10.0 -70.8 29 30 A N T 3 S+ 0 0 164 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.684 111.3 104.2 65.3 18.7 -33.0 13.5 -69.6 30 31 A R < - 0 0 160 -3,-1.8 -1,-0.2 2,-0.1 -3,-0.1 -0.987 58.6-157.1-132.5 144.5 -29.4 14.7 -70.1 31 32 A S + 0 0 121 -2,-0.4 -1,-0.1 -3,-0.1 -3,-0.1 0.448 46.7 141.0 -94.1 -1.6 -27.8 17.0 -72.7 32 33 A T + 0 0 50 1,-0.1 -5,-0.3 -5,-0.1 3,-0.1 -0.083 25.7 178.3 -48.9 130.6 -24.3 15.6 -72.0 33 34 A Q + 0 0 96 54,-0.3 -11,-2.3 1,-0.3 2,-0.4 0.762 69.2 21.6-103.3 -37.0 -22.3 15.2 -75.2 34 35 A F E S-A 21 0A 4 53,-0.5 -1,-0.3 -13,-0.2 2,-0.3 -0.999 72.3-142.5-132.6 134.5 -18.9 13.9 -73.8 35 36 A Q E -A 20 0A 83 -15,-2.8 -15,-2.1 -2,-0.4 2,-1.0 -0.715 14.1-131.2 -93.7 144.5 -18.3 12.3 -70.5 36 37 A L E -A 19 0A 21 -2,-0.3 2,-1.8 -17,-0.2 -17,-0.2 -0.830 22.8-144.5 -89.4 105.6 -15.2 12.9 -68.3 37 38 A A > - 0 0 19 -19,-2.3 4,-2.3 -2,-1.0 5,-0.2 -0.499 19.3-172.4 -74.4 87.9 -14.2 9.3 -67.6 38 39 A Q H > S+ 0 0 35 -2,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.841 77.8 48.0 -59.3 -39.1 -13.0 10.1 -64.1 39 40 A Q H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 112.1 51.2 -67.2 -42.1 -11.5 6.7 -63.3 40 41 A N H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.908 107.8 53.1 -54.9 -44.5 -9.7 6.6 -66.6 41 42 A M H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.4 0.902 107.7 50.4 -62.6 -44.0 -8.2 10.1 -66.0 42 43 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 168,-0.3 0.897 112.4 47.0 -60.5 -41.3 -6.9 9.0 -62.6 43 44 A A H X S+ 0 0 36 -4,-2.0 4,-0.8 3,-0.2 -2,-0.2 0.868 116.4 45.1 -69.5 -36.0 -5.2 6.0 -64.2 44 45 A Y H < S+ 0 0 20 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.958 124.5 30.0 -69.8 -50.7 -3.8 8.1 -67.0 45 46 A T H < S+ 0 0 2 -4,-3.1 3,-0.2 -5,-0.2 -3,-0.2 0.875 136.4 25.3 -79.8 -39.1 -2.5 11.0 -64.9 46 47 A F H >< S+ 0 0 0 -4,-2.1 164,-3.0 -5,-0.4 3,-0.6 0.169 81.2 117.0-116.5 17.3 -1.7 9.2 -61.7 47 48 A G T 3< S+ 0 0 19 -4,-0.8 164,-0.3 162,-0.3 -1,-0.1 0.726 97.0 16.6 -58.0 -26.3 -1.1 5.6 -63.0 48 49 A E T 3 S+ 0 0 150 -3,-0.2 2,-0.4 -4,-0.2 -1,-0.2 0.261 118.4 74.5-130.0 12.9 2.6 5.7 -61.8 49 50 A V < - 0 0 18 -3,-0.6 161,-0.4 5,-0.1 160,-0.1 -0.975 42.7-178.6-135.3 122.1 2.6 8.7 -59.4 50 51 A I > - 0 0 4 -2,-0.4 3,-2.4 158,-0.2 9,-0.1 -0.970 42.0-120.8-109.1 115.7 1.3 9.2 -55.9 51 52 A P T 3 S+ 0 0 1 0, 0.0 8,-0.1 0, 0.0 263,-0.0 -0.264 98.6 28.8 -59.6 138.1 2.1 12.9 -55.1 52 53 A G T 3 S+ 0 0 0 3,-0.3 7,-0.0 266,-0.0 4,-0.0 0.145 121.2 57.5 95.8 -17.6 4.3 13.2 -52.1 53 54 A F S < S+ 0 0 32 -3,-2.4 -3,-0.1 2,-0.0 2,-0.1 -0.020 100.3 62.4-130.3 25.5 5.8 9.8 -52.8 54 55 A A S S- 0 0 30 1,-0.4 -5,-0.1 -5,-0.1 154,-0.0 -0.155 101.2 -19.1-122.7-139.8 7.1 10.5 -56.3 55 56 A S > - 0 0 65 1,-0.1 4,-2.8 -2,-0.1 -1,-0.4 -0.310 59.8-118.2 -70.1 154.6 9.6 12.9 -57.8 56 57 A A H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.843 114.7 61.0 -60.9 -33.6 10.6 15.9 -55.7 57 58 A G H 4 S+ 0 0 53 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.892 111.9 35.8 -58.1 -47.0 9.2 18.1 -58.6 58 59 A I H >4 S+ 0 0 19 -3,-0.2 3,-1.2 2,-0.2 257,-0.4 0.908 115.2 56.7 -69.7 -44.5 5.7 16.7 -58.1 59 60 A N H 3< S+ 0 0 13 -4,-2.8 257,-2.1 1,-0.3 256,-0.4 0.874 116.0 34.9 -56.6 -41.4 6.0 16.4 -54.3 60 61 A G T 3< S+ 0 0 51 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.311 93.6 115.3 -99.5 7.0 6.8 20.1 -53.9 61 62 A M S < S- 0 0 46 -3,-1.2 254,-0.5 -4,-0.1 2,-0.2 -0.378 85.6 -83.8 -71.5 151.5 4.5 21.3 -56.7 62 63 A D >> - 0 0 48 1,-0.2 4,-1.4 252,-0.1 3,-1.0 -0.425 39.1-137.1 -60.6 128.5 1.6 23.5 -55.8 63 64 A Y H 3> S+ 0 0 1 250,-2.5 4,-2.8 1,-0.3 5,-0.2 0.774 100.0 61.9 -65.4 -27.3 -1.2 21.0 -54.9 64 65 A R H 3> S+ 0 0 134 249,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.897 105.6 47.6 -61.1 -39.5 -3.8 22.9 -56.8 65 66 A D H <4 S+ 0 0 97 -3,-1.0 4,-0.5 2,-0.2 -2,-0.2 0.789 111.7 50.2 -75.5 -28.0 -1.9 22.3 -60.0 66 67 A V H >< S+ 0 0 0 -4,-1.4 3,-1.1 2,-0.2 -2,-0.2 0.949 112.7 45.8 -70.2 -50.3 -1.5 18.7 -59.1 67 68 A I H 3< S+ 0 0 3 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.728 113.7 50.9 -63.0 -22.3 -5.2 18.3 -58.4 68 69 A G T 3X S+ 0 0 35 -4,-1.2 4,-1.9 -5,-0.2 -1,-0.2 0.581 87.0 87.2 -92.2 -7.5 -6.0 20.2 -61.6 69 70 A R H <> S+ 0 0 48 -3,-1.1 4,-3.0 -4,-0.5 5,-0.2 0.892 82.1 54.9 -64.0 -45.2 -3.7 18.0 -63.8 70 71 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.927 110.6 44.3 -50.6 -54.2 -6.3 15.3 -64.7 71 72 A V H > S+ 0 0 24 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.895 113.7 52.5 -61.8 -38.7 -9.0 17.7 -66.0 72 73 A E H X S+ 0 0 112 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.943 109.4 47.4 -62.5 -48.3 -6.3 19.5 -67.9 73 74 A N H X S+ 0 0 3 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.870 112.8 51.1 -60.2 -35.7 -5.0 16.3 -69.6 74 75 A A H X S+ 0 0 0 -4,-2.1 4,-3.1 -5,-0.2 -2,-0.2 0.921 106.7 51.3 -69.2 -45.2 -8.6 15.4 -70.4 75 76 A V H X S+ 0 0 44 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.871 110.4 51.7 -59.3 -35.9 -9.4 18.7 -72.1 76 77 A T H X S+ 0 0 55 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.923 110.8 46.3 -65.7 -45.7 -6.2 18.2 -74.2 77 78 A E H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.908 112.8 52.0 -62.1 -42.2 -7.3 14.8 -75.2 78 79 A G H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.918 111.0 45.7 -59.9 -46.4 -10.8 16.1 -76.0 79 80 A T H X S+ 0 0 71 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.918 110.2 54.0 -66.8 -40.8 -9.5 18.9 -78.2 80 81 A H H < S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 118.6 34.2 -60.2 -41.4 -7.1 16.7 -80.0 81 82 A F H < S+ 0 0 70 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.810 134.6 20.5 -84.1 -33.8 -9.8 14.2 -81.0 82 83 A F H >< S- 0 0 46 -4,-2.5 3,-3.0 -5,-0.2 4,-0.5 0.357 78.3-170.5-124.7 5.2 -12.9 16.5 -81.5 83 84 A R G >< S+ 0 0 187 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 -0.033 76.5 3.0 42.6-130.0 -11.5 20.0 -82.0 84 85 A D G 3 S+ 0 0 166 1,-0.3 -1,-0.3 3,-0.0 -5,-0.1 0.562 128.4 65.4 -62.1 -11.1 -14.3 22.6 -82.0 85 86 A D G < S+ 0 0 96 -3,-3.0 -1,-0.3 -6,-0.1 2,-0.2 0.781 72.3 105.8 -83.3 -26.0 -16.9 20.0 -81.1 86 87 A F < + 0 0 30 -3,-1.5 2,-0.3 -4,-0.5 -7,-0.0 -0.352 45.3 157.5 -60.4 119.9 -15.4 19.1 -77.7 87 88 A R + 0 0 52 -2,-0.2 -53,-0.5 -9,-0.0 -54,-0.3 -0.962 13.7 168.3-147.0 125.3 -17.7 20.6 -75.1 88 89 A V - 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0 0 53 -2,-0.5 2,-0.4 65,-0.1 -2,-0.1 -0.017 40.4-167.9 -45.5 145.0 -44.1 37.3 -72.3 341 6 B S > - 0 0 34 -4,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.966 20.8-158.0-140.4 118.4 -45.0 40.3 -74.4 342 7 B I H > S+ 0 0 84 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.882 98.0 51.5 -62.4 -35.2 -43.0 41.4 -77.4 343 8 B E H > S+ 0 0 125 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 109.6 46.0 -68.7 -44.0 -44.5 44.9 -77.0 344 9 B A H > S+ 0 0 30 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.929 112.2 54.6 -65.6 -38.9 -43.8 45.3 -73.3 345 10 B T H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.933 109.5 44.1 -60.2 -46.8 -40.3 44.1 -74.0 346 11 B R H 3< S+ 0 0 164 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.812 104.9 64.9 -71.6 -22.5 -39.5 46.6 -76.7 347 12 B N H 3< S+ 0 0 113 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.681 84.1 103.0 -66.2 -16.1 -41.1 49.3 -74.4 348 13 B L S << S- 0 0 36 -3,-1.3 2,-0.2 -4,-0.6 5,-0.1 -0.408 77.0-123.3 -70.5 138.7 -38.2 48.7 -72.0 349 14 B A >> - 0 0 47 -2,-0.1 3,-3.7 1,-0.1 4,-0.5 -0.611 36.7-103.2 -73.7 147.2 -35.4 51.2 -71.8 350 15 B T G >4 S+ 0 0 82 1,-0.3 3,-1.2 -2,-0.2 -1,-0.1 0.802 122.1 51.7 -45.9 -39.5 -32.1 49.4 -72.5 351 16 B T G 34 S+ 0 0 105 1,-0.2 -1,-0.3 5,-0.1 5,-0.1 0.448 104.1 58.5 -80.9 2.5 -31.1 49.4 -68.7 352 17 B E G <4 S+ 0 0 99 -3,-3.7 -1,-0.2 3,-0.1 -2,-0.2 0.406 82.2 119.5-102.9 -0.8 -34.5 47.8 -67.8 353 18 B R << - 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