==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENDONUCLEASE 18-MAY-99 1QC9 . COMPND 2 MOLECULE: PROTEIN (ECO RI ENDONUCLEASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.CHANDRASEKHAR,M. M.HORVATH,C.SAMUDZI,J.CHOI,J. M.ROSENBERG . 759 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42994.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 532 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 9.5 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 87 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 3 0 0 0 0 0 3 6 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 PARALLEL BRIDGES PER LADDER . 6 6 0 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 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 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 17 A S 0 0 175 0, 0.0 2,-3.0 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -24.4 38.5 -62.1 12.9 2 18 A Q + 0 0 164 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.325 360.0 110.7 -74.2 65.3 36.0 -59.2 13.7 3 19 A G >> + 0 0 32 -2,-3.0 4,-2.5 3,-0.1 3,-1.7 0.828 65.8 26.0-104.5 -92.0 37.8 -57.2 10.9 4 20 A V H 3> S+ 0 0 57 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.888 123.5 50.2 -49.2 -49.9 36.2 -56.2 7.5 5 21 A I H 3> S+ 0 0 34 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.618 112.8 52.3 -68.4 -10.1 32.6 -56.3 8.8 6 22 A G H <> S+ 0 0 13 -3,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.915 108.4 44.6 -85.5 -56.8 34.0 -54.1 11.5 7 23 A I H X S+ 0 0 118 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.755 113.5 52.2 -62.9 -30.0 35.7 -51.4 9.5 8 24 A F H X S+ 0 0 48 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.967 107.9 49.7 -70.7 -53.3 32.7 -51.2 7.1 9 25 A G H X S+ 0 0 0 -4,-0.7 4,-1.6 -5,-0.2 -2,-0.2 0.854 111.8 49.8 -52.8 -40.2 30.2 -50.7 9.9 10 26 A D H X S+ 0 0 79 -4,-2.1 4,-3.4 1,-0.2 -1,-0.2 0.960 109.0 51.1 -63.2 -50.8 32.4 -48.0 11.4 11 27 A Y H < S+ 0 0 122 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.789 105.4 58.3 -56.9 -31.9 32.7 -46.2 8.0 12 28 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 3,-0.9 0.974 114.5 34.8 -62.4 -53.2 28.9 -46.2 7.7 13 29 A K H ><5S+ 0 0 67 -4,-1.6 3,-1.7 1,-0.2 -2,-0.2 0.909 108.5 65.4 -67.7 -44.8 28.4 -44.3 10.9 14 30 A A T 3<5S+ 0 0 71 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.357 117.9 28.1 -63.1 6.1 31.5 -42.1 10.5 15 31 A H T < 5S- 0 0 101 -3,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.250 106.9-120.4-145.1 2.0 29.8 -40.6 7.4 16 32 A D T < 5 - 0 0 129 -3,-1.7 -3,-0.2 -4,-0.2 -4,-0.1 0.974 41.5-143.9 47.1 60.6 26.2 -41.1 8.5 17 33 A L < - 0 0 25 -5,-2.8 -1,-0.1 1,-0.1 5,-0.1 -0.336 8.9-112.0 -59.6 133.5 25.7 -43.2 5.4 18 34 A A > - 0 0 55 -3,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.257 26.5-111.3 -62.2 154.1 22.3 -43.0 3.6 19 35 A V H > S+ 0 0 27 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.813 123.7 46.0 -56.9 -34.3 20.0 -46.0 3.7 20 36 A G H > S+ 0 0 10 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.908 111.9 51.2 -73.7 -42.1 20.7 -46.4 -0.0 21 37 A E H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.841 104.0 58.5 -62.7 -34.8 24.4 -45.9 0.5 22 38 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.930 98.6 58.1 -62.3 -45.9 24.5 -48.5 3.2 23 39 A S H X S+ 0 0 0 -4,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.797 103.0 53.9 -55.4 -33.2 23.2 -51.2 0.8 24 40 A K H >X S+ 0 0 80 -4,-1.0 4,-2.9 -3,-0.3 3,-0.5 0.966 110.3 45.9 -65.4 -49.9 26.2 -50.6 -1.5 25 41 A L H 3X S+ 0 0 25 -4,-1.6 4,-2.5 1,-0.3 -2,-0.2 0.900 109.3 57.7 -57.9 -39.7 28.6 -51.2 1.4 26 42 A V H 3X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 -1,-0.3 0.850 107.8 44.6 -60.5 -36.8 26.5 -54.2 2.3 27 43 A K H < S+ 0 0 38 -4,-2.8 3,-0.6 2,-0.2 -2,-0.2 0.975 110.7 53.3 -73.9 -60.0 31.0 -60.1 -1.6 32 48 A N H 3< S+ 0 0 74 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.769 112.5 48.2 -44.4 -34.5 34.1 -59.9 0.5 33 49 A E H 3< S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.823 124.7 25.6 -80.1 -40.1 32.6 -62.5 2.8 34 50 A Y S X< S+ 0 0 54 -4,-1.2 2,-1.8 -3,-0.6 3,-1.3 -0.655 75.0 173.3-125.5 72.9 31.5 -65.1 0.2 35 51 A P T 3 + 0 0 88 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.316 63.1 74.4 -80.5 53.4 33.9 -64.4 -2.7 36 52 A Q T 3 S+ 0 0 82 -2,-1.8 2,-0.1 -5,-0.1 -5,-0.1 0.457 89.4 65.4-127.2 -28.5 32.9 -67.3 -4.9 37 53 A L S < S- 0 0 14 -3,-1.3 2,-0.6 -6,-0.2 46,-0.1 -0.423 83.8-119.1 -94.0 164.6 29.6 -65.7 -5.9 38 54 A S - 0 0 46 44,-0.3 44,-0.6 -2,-0.1 2,-0.3 -0.941 29.2-164.9-111.8 117.2 29.0 -62.6 -8.0 39 55 A F E -A 81 0A 19 -2,-0.6 2,-0.3 42,-0.2 42,-0.2 -0.800 5.3-172.9-101.6 148.7 27.0 -59.9 -6.2 40 56 A R E -A 80 0A 75 40,-1.9 40,-2.5 -2,-0.3 2,-0.5 -0.999 13.0-152.7-145.9 134.2 25.4 -56.9 -7.8 41 57 A Y E +A 79 0A 51 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.943 23.8 165.0-106.9 129.7 23.7 -53.8 -6.5 42 58 A R E -A 78 0A 43 36,-1.9 36,-2.6 -2,-0.5 3,-0.1 -0.850 28.4-145.0-134.5 172.2 21.0 -52.2 -8.6 43 59 A D + 0 0 77 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 0.276 69.2 33.9-131.1 18.5 18.3 -49.6 -7.8 44 60 A S - 0 0 38 29,-0.1 2,-0.5 34,-0.1 29,-0.2 -0.970 55.9-144.1-164.3 151.0 15.2 -50.2 -9.8 45 61 A I E -E 72 0B 1 27,-1.9 27,-2.3 -2,-0.3 2,-0.4 -0.998 29.1-125.0-121.7 122.8 13.2 -53.1 -11.2 46 62 A K E >> -E 71 0B 100 -2,-0.5 3,-1.0 25,-0.2 4,-0.8 -0.599 21.3-122.9 -70.0 126.5 11.5 -52.4 -14.5 47 63 A K H 3> S+ 0 0 40 23,-3.4 4,-1.2 -2,-0.4 -1,-0.2 0.681 111.8 66.0 -39.6 -25.5 7.8 -53.1 -14.1 48 64 A T H >> S+ 0 0 40 22,-0.4 4,-2.3 20,-0.3 3,-1.0 0.993 91.5 57.7 -61.6 -60.6 8.4 -55.6 -17.0 49 65 A E H <> S+ 0 0 63 -3,-1.0 4,-3.2 1,-0.3 5,-0.2 0.796 102.4 55.5 -39.1 -45.2 10.6 -57.9 -14.9 50 66 A I H 3X S+ 0 0 3 -4,-0.8 4,-2.6 1,-0.2 -1,-0.3 0.952 111.8 43.3 -57.0 -50.7 7.8 -58.4 -12.4 51 67 A N H X S+ 0 0 19 -4,-2.6 4,-3.1 2,-0.2 3,-0.6 0.859 106.4 51.9 -69.2 -38.2 4.9 -63.6 -12.8 55 71 A K H 3< S+ 0 0 108 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.946 103.9 61.2 -63.2 -40.7 4.1 -65.3 -16.1 56 72 A K H 3< S+ 0 0 139 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.779 110.3 40.0 -54.6 -31.5 6.9 -67.8 -15.2 57 73 A I H << S- 0 0 68 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.917 139.8 -6.2 -82.1 -50.7 4.8 -68.7 -12.2 58 74 A D >< - 0 0 62 -4,-3.1 3,-1.6 1,-0.1 -1,-0.3 -0.976 55.4-140.3-151.0 133.9 1.5 -68.6 -14.0 59 75 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.859 104.8 57.7 -59.0 -39.3 0.5 -67.6 -17.5 60 76 A D T 3 S+ 0 0 149 -5,-0.1 3,-0.2 -3,-0.1 2,-0.2 0.585 99.3 76.4 -71.7 -7.2 -2.7 -66.0 -16.2 61 77 A L S < S+ 0 0 73 -3,-1.6 -3,-0.0 -7,-0.3 -4,-0.0 -0.562 87.6 22.5-100.6 163.4 -0.7 -63.7 -14.0 62 78 A G S S+ 0 0 13 -2,-0.2 -7,-0.2 -8,-0.1 -1,-0.2 0.925 70.5 134.6 46.5 70.2 1.4 -60.6 -14.9 63 79 A G + 0 0 66 -3,-0.2 2,-0.3 -9,-0.1 -1,-0.1 -0.159 42.4 85.3-137.8 41.8 -0.2 -59.5 -18.1 64 80 A T + 0 0 89 0, 0.0 2,-0.3 0, 0.0 -13,-0.1 -0.949 32.6 155.3-149.5 126.3 -0.6 -55.8 -17.8 65 81 A L + 0 0 63 -2,-0.3 3,-0.2 1,-0.1 -17,-0.0 -0.919 3.5 170.0-149.0 114.1 1.7 -52.9 -18.5 66 82 A F S S+ 0 0 189 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.789 77.4 35.3 -97.5 -32.4 0.3 -49.5 -19.3 67 83 A V S > S- 0 0 91 1,-0.1 3,-2.3 0, 0.0 -1,-0.2 -0.620 78.0-151.4-125.6 74.8 3.3 -47.2 -19.1 68 84 A S T 3 S+ 0 0 96 -2,-0.3 -20,-0.3 1,-0.3 -1,-0.1 0.494 90.6 54.4 -9.4 -56.3 6.3 -49.2 -20.4 69 85 A N T 3 S+ 0 0 131 -22,-0.1 -1,-0.3 -23,-0.1 -22,-0.1 0.350 79.1 135.7 -75.5 11.1 9.0 -47.4 -18.4 70 86 A S < + 0 0 33 -3,-2.3 -23,-3.4 -24,-0.1 -22,-0.4 -0.308 29.0 167.9 -60.4 139.2 7.2 -48.1 -15.1 71 87 A S E -E 46 0B 52 -25,-0.3 2,-0.6 -24,-0.2 -25,-0.2 -0.980 39.5-120.0-152.9 160.4 9.4 -49.4 -12.3 72 88 A I E -E 45 0B 1 -27,-2.3 -27,-1.9 -2,-0.3 -2,-0.0 -0.927 28.8-171.6-102.8 123.7 9.7 -50.1 -8.6 73 89 A K - 0 0 127 -2,-0.6 2,-0.4 -29,-0.2 -29,-0.1 -0.830 6.3-159.8-123.4 90.7 12.4 -48.0 -7.0 74 90 A P > - 0 0 1 0, 0.0 3,-1.9 0, 0.0 20,-0.2 -0.598 25.1-122.8 -71.4 125.0 13.1 -49.0 -3.4 75 91 A D T 3 S+ 0 0 81 -2,-0.4 2,-0.2 1,-0.3 20,-0.2 0.770 106.8 41.7 -28.7 -58.8 14.9 -46.2 -1.5 76 92 A G E 3 S- B 0 94A 0 18,-2.1 18,-0.6 1,-0.2 -1,-0.3 -0.181 105.5-125.5 -94.4 39.7 17.8 -48.3 -0.5 77 93 A G E < - 0 0 0 -3,-1.9 17,-1.0 -2,-0.2 2,-0.3 0.142 27.6 -84.8 53.0-167.6 18.5 -50.2 -3.7 78 94 A I E -AB 42 93A 1 -36,-2.6 -36,-1.9 15,-0.2 2,-0.4 -0.989 23.6-153.1-140.5 144.2 18.7 -54.0 -4.1 79 95 A V E -AB 41 92A 0 13,-2.1 12,-3.1 -2,-0.3 13,-1.6 -0.979 20.3-176.7-120.0 131.5 21.5 -56.5 -3.7 80 96 A E E -AB 40 90A 1 -40,-2.5 -40,-1.9 -2,-0.4 2,-0.3 -0.958 16.4-146.5-131.0 150.2 21.4 -59.8 -5.7 81 97 A V E -AB 39 89A 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.7 -0.705 24.3-119.7-106.2 161.9 23.5 -63.0 -5.9 82 98 A K E - B 0 88A 73 -44,-0.6 -44,-0.3 -2,-0.3 6,-0.2 -0.911 32.3-143.8-106.1 112.4 24.0 -65.0 -9.0 83 99 A D > - 0 0 7 4,-1.7 3,-2.5 -2,-0.7 164,-0.2 -0.282 30.4 -95.0 -72.3 163.0 22.7 -68.6 -8.6 84 100 A D T 3 S+ 0 0 34 162,-2.7 163,-0.1 1,-0.3 -1,-0.1 0.695 124.4 58.5 -46.0 -27.1 24.2 -71.8 -10.0 85 101 A Y T 3 S- 0 0 157 161,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.118 118.3-107.2 -95.5 19.4 21.8 -71.4 -12.9 86 102 A G S < S+ 0 0 46 -3,-2.5 2,-0.2 1,-0.2 -2,-0.1 0.531 81.2 117.9 71.3 6.1 23.0 -68.0 -14.0 87 103 A E - 0 0 125 -4,-0.2 -4,-1.7 1,-0.0 2,-0.5 -0.491 66.3-111.5 -94.7 173.1 20.0 -66.0 -12.9 88 104 A W E -B 82 0A 72 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.919 27.4-159.5-111.0 132.5 20.0 -63.3 -10.2 89 105 A R E -B 81 0A 33 -8,-2.8 -8,-2.3 -2,-0.5 2,-0.3 -0.884 23.5-110.6-111.7 144.4 18.4 -63.9 -6.9 90 106 A V E +B 80 0A 4 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.538 39.4 163.2 -75.6 132.5 17.2 -61.1 -4.5 91 107 A V E + 0 0 0 -12,-3.1 2,-0.3 1,-0.3 148,-0.2 0.685 64.3 11.2-119.1 -34.7 19.2 -60.8 -1.2 92 108 A L E +B 79 0A 0 -13,-1.6 -13,-2.1 147,-0.1 2,-0.4 -0.960 46.8 175.4-155.6 126.5 18.4 -57.4 0.2 93 109 A V E -Bc 78 142A 0 48,-1.9 50,-2.8 -2,-0.3 2,-0.3 -0.936 22.2-173.6-129.9 104.5 15.8 -54.7 -0.5 94 110 A A E +Bc 76 143A 0 -17,-1.0 -18,-2.1 -18,-0.6 2,-0.3 -0.786 10.8 170.7-106.4 149.7 16.0 -51.9 2.0 95 111 A E E - c 0 144A 1 48,-1.9 50,-2.3 -2,-0.3 2,-0.4 -0.976 11.0-162.7-152.9 141.0 13.8 -48.8 2.4 96 112 A A E - c 0 145A 8 -2,-0.3 2,-0.3 48,-0.3 50,-0.2 -0.991 2.7-160.7-135.2 131.1 13.6 -46.2 5.1 97 113 A K E - c 0 146A 46 48,-1.8 50,-1.4 -2,-0.4 -2,-0.0 -0.777 9.4-166.2-110.5 151.2 10.8 -43.7 6.0 98 114 A H + 0 0 112 -2,-0.3 51,-0.2 48,-0.2 2,-0.2 0.028 24.5 156.2-124.4 27.0 10.9 -40.5 8.0 99 115 A Q + 0 0 29 49,-0.1 51,-0.5 1,-0.1 52,-0.4 -0.378 50.5 61.8 -57.9 117.9 7.3 -39.5 8.8 100 116 A G + 0 0 17 48,-0.3 48,-0.1 -2,-0.2 -1,-0.1 -0.825 36.0 165.1 169.7-124.4 7.5 -37.3 11.9 101 117 A K + 0 0 165 -2,-0.3 -1,-0.1 13,-0.0 -2,-0.0 0.929 46.6 111.4 77.2 53.3 9.3 -33.9 12.5 102 118 A D S S+ 0 0 63 13,-0.0 12,-0.0 0, 0.0 46,-0.0 0.375 85.1 23.9-126.3 -5.4 7.6 -32.9 15.8 103 119 A I S S+ 0 0 54 117,-0.1 2,-0.2 57,-0.0 45,-0.0 0.618 85.2 108.1-137.4 -27.8 10.6 -33.1 18.2 104 120 A I 0 0 131 1,-0.1 45,-0.0 116,-0.1 117,-0.0 -0.512 360.0 360.0 -83.6 138.2 14.1 -32.9 16.5 105 121 A N 0 0 208 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 0.307 360.0 360.0 -17.4 360.0 16.6 -29.8 16.9 106 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 107 130 A K 0 0 245 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.8 -3.9 -23.6 12.1 108 131 A R - 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