==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-09 3I4H . COMPND 2 MOLECULE: ENDORIBONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR J.CARTE,R.WANG,H.LI,R.M.TERNS,M.P.TERNS . 232 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 27.2 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 17 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0 0 0 0 0 1 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 4 2 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 X H 0 0 215 0, 0.0 2,-0.3 0, 0.0 171,-0.1 0.000 360.0 360.0 360.0 50.9 6.7 -43.1 24.5 2 4 X H + 0 0 62 169,-0.1 2,-0.3 89,-0.1 89,-0.2 -0.691 360.0 151.2 -95.8 144.3 5.3 -40.3 22.3 3 5 X H - 0 0 107 87,-1.3 2,-0.3 -2,-0.3 86,-0.0 -0.870 46.8 -93.6-160.9 162.3 3.6 -37.2 23.5 4 6 X G - 0 0 25 -2,-0.3 2,-0.4 84,-0.0 86,-0.2 -0.633 32.2-177.6 -87.1 139.4 3.4 -33.8 21.9 5 7 X S E -A 89 0A 26 84,-2.2 84,-1.9 -2,-0.3 2,-0.4 -0.997 7.2-179.5-127.1 136.0 5.8 -30.9 22.7 6 8 X R E -A 88 0A 16 -2,-0.4 117,-2.2 117,-0.3 2,-0.3 -0.999 4.6-172.9-140.6 136.4 5.2 -27.7 21.0 7 9 X F E -AB 87 122A 22 80,-2.2 80,-1.7 -2,-0.4 2,-0.4 -0.932 22.5-149.3-133.2 146.5 7.4 -24.6 21.5 8 10 X L E -AB 86 121A 6 113,-3.6 113,-2.9 -2,-0.3 2,-0.6 -0.951 22.2-160.2-108.1 135.3 7.4 -21.0 20.5 9 11 X I E -AB 85 120A 0 76,-2.8 76,-1.2 -2,-0.4 2,-0.4 -0.964 3.1-163.2-121.1 114.0 10.9 -19.8 20.1 10 12 X R E -AB 84 119A 51 109,-2.7 108,-1.9 -2,-0.6 109,-1.1 -0.861 5.3-172.0-102.0 140.0 11.5 -16.0 20.3 11 13 X L E -AB 83 117A 0 72,-3.1 72,-2.5 -2,-0.4 106,-0.2 -0.956 9.1-153.1-122.9 139.7 14.8 -14.5 19.0 12 14 X V E - B 0 116A 27 104,-2.7 104,-3.2 -2,-0.4 70,-0.2 -0.920 26.7-110.7-108.6 146.7 15.8 -10.9 19.4 13 15 X P E - B 0 115A 5 0, 0.0 102,-0.3 0, 0.0 7,-0.0 -0.297 36.0-101.3 -71.9 159.6 18.1 -9.2 17.0 14 16 X E S S+ 0 0 99 100,-2.3 2,-0.6 1,-0.2 101,-0.1 0.895 117.4 39.6 -46.8 -50.5 21.6 -8.3 18.2 15 17 X D S S- 0 0 72 99,-0.2 -1,-0.2 1,-0.1 99,-0.0 -0.919 84.1-141.0 -97.5 120.9 20.6 -4.7 18.6 16 18 X K S S+ 0 0 138 -2,-0.6 2,-0.6 1,-0.1 65,-0.4 0.729 90.2 57.4 -48.9 -25.5 17.1 -4.4 20.0 17 19 X D S S+ 0 0 123 63,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.945 82.6 73.1-117.4 117.5 16.4 -1.4 17.7 18 20 X R S S- 0 0 189 -2,-0.6 2,-0.5 61,-0.1 63,-0.4 -0.706 79.3 -94.0 160.5 171.2 16.8 -1.9 14.0 19 21 X A - 0 0 28 -2,-0.2 2,-0.4 61,-0.1 61,-0.2 -0.823 35.2-155.1-112.2 125.5 14.9 -3.6 11.3 20 22 X F E -F 79 0B 0 59,-2.1 59,-2.8 -2,-0.5 2,-0.2 -0.869 16.3-125.1 -97.4 136.2 16.0 -7.2 10.5 21 23 X K E -F 78 0B 70 -2,-0.4 57,-0.2 57,-0.2 92,-0.1 -0.487 17.5-164.4 -68.1 146.5 15.3 -8.7 7.1 22 24 X V E -F 77 0B 0 55,-1.9 55,-2.4 -2,-0.2 4,-0.1 -0.910 19.9-134.1-128.8 112.0 13.5 -12.0 6.7 23 25 X P E -F 76 0B 22 0, 0.0 53,-0.3 0, 0.0 3,-0.2 -0.286 14.6-129.9 -55.5 147.4 13.8 -13.6 3.2 24 26 X Y S S+ 0 0 99 51,-2.9 2,-0.8 1,-0.3 52,-0.1 0.793 107.7 50.8 -72.1 -30.6 10.4 -14.8 1.9 25 27 X N + 0 0 80 50,-0.4 -1,-0.3 1,-0.1 4,-0.1 -0.857 68.7 135.3-105.8 92.5 12.1 -18.1 1.2 26 28 X H > + 0 0 6 -2,-0.8 4,-2.3 -3,-0.2 5,-0.3 0.195 30.9 108.3-127.2 17.1 13.7 -18.9 4.5 27 29 X Q H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.885 82.3 49.2 -56.7 -46.4 12.8 -22.6 4.9 28 30 X Y H > S+ 0 0 177 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.835 110.7 48.1 -72.7 -35.1 16.3 -23.6 4.2 29 31 X Y H > S+ 0 0 115 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.932 114.3 47.0 -64.6 -50.5 17.9 -21.2 6.7 30 32 X L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.892 110.0 54.1 -56.2 -43.8 15.4 -22.1 9.5 31 33 X Q H X S+ 0 0 25 -4,-2.2 4,-2.5 -5,-0.3 5,-0.3 0.890 105.5 52.4 -65.4 -33.2 16.1 -25.8 8.7 32 34 X G H X S+ 0 0 27 -4,-1.5 4,-3.4 1,-0.2 -2,-0.2 0.934 109.4 51.2 -65.0 -44.4 19.8 -25.3 9.1 33 35 X L H X S+ 0 0 23 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.905 113.1 42.6 -53.0 -51.9 19.2 -23.7 12.5 34 36 X I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.938 117.1 46.2 -69.3 -53.0 17.0 -26.6 13.8 35 37 X Y H X S+ 0 0 52 -4,-2.5 4,-2.2 -5,-0.2 5,-0.3 0.946 112.9 51.5 -59.9 -40.2 19.3 -29.3 12.4 36 38 X N H X S+ 0 0 101 -4,-3.4 4,-1.6 -5,-0.3 -2,-0.2 0.889 107.6 52.2 -65.0 -37.2 22.4 -27.6 13.8 37 39 X A H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.937 115.5 41.7 -59.9 -44.1 20.8 -27.3 17.3 38 40 X I H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 8,-0.4 0.880 112.6 51.2 -73.3 -41.0 20.1 -31.0 17.3 39 41 X K H < S+ 0 0 101 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.791 112.0 51.8 -58.8 -36.8 23.4 -32.1 15.7 40 42 X S H < S+ 0 0 45 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.964 117.8 32.7 -69.4 -51.6 25.1 -30.0 18.4 41 43 X S H < S+ 0 0 29 -4,-2.1 -2,-0.2 56,-0.3 -3,-0.2 0.786 137.7 14.8 -78.6 -27.5 23.3 -31.5 21.5 42 44 X N X + 0 0 31 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 -0.554 58.3 173.4-151.8 84.4 22.9 -35.0 20.2 43 45 X P H > S+ 0 0 80 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.825 85.1 57.0 -62.4 -33.5 24.9 -36.2 17.2 44 46 X K H > S+ 0 0 178 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.964 110.1 44.9 -60.4 -48.1 23.8 -39.8 17.5 45 47 X L H > S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.942 110.5 53.0 -60.7 -49.2 20.1 -38.6 17.2 46 48 X A H X S+ 0 0 13 -4,-2.4 4,-1.5 -8,-0.4 -1,-0.2 0.832 109.9 49.3 -59.4 -25.9 20.9 -36.3 14.3 47 49 X T H X S+ 0 0 81 -4,-1.7 4,-1.1 -3,-0.2 -1,-0.2 0.832 109.7 51.4 -79.8 -37.5 22.5 -39.2 12.4 48 50 X Y H X S+ 0 0 136 -4,-2.1 4,-2.6 -5,-0.2 3,-0.5 0.943 112.3 46.5 -58.4 -44.0 19.5 -41.4 13.1 49 51 X L H < S+ 0 0 16 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.844 108.1 55.7 -69.3 -31.6 17.3 -38.6 11.8 50 52 X H H < S+ 0 0 145 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.769 116.1 37.7 -70.0 -26.5 19.5 -38.1 8.7 51 53 X E H < S+ 0 0 117 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.867 86.6 109.3 -89.4 -51.7 19.1 -41.8 7.8 52 54 X V < - 0 0 32 -4,-2.6 2,-0.4 -5,-0.2 4,-0.0 0.040 60.0-142.8 -43.0 131.6 15.5 -42.6 8.7 53 55 X K + 0 0 198 2,-0.0 -1,-0.1 3,-0.0 -2,-0.1 -0.856 67.9 26.5-102.4 129.8 13.2 -43.1 5.6 54 56 X G S S- 0 0 53 -2,-0.4 2,-0.1 2,-0.0 113,-0.0 -0.629 112.7 -16.7 108.9-178.3 9.7 -41.7 6.1 55 57 X P - 0 0 33 0, 0.0 -2,-0.0 0, 0.0 166,-0.0 -0.334 51.6-146.1 -55.8 142.7 8.5 -38.8 8.3 56 58 X K - 0 0 38 2,-0.3 3,-0.1 161,-0.1 -4,-0.0 0.450 38.0-116.0 -94.7 -7.2 10.9 -37.7 11.0 57 59 X L S S+ 0 0 17 1,-0.2 33,-1.6 160,-0.2 34,-0.6 0.767 81.0 85.8 77.1 35.8 8.1 -36.8 13.4 58 60 X F E +C 89 0A 0 159,-0.3 -2,-0.3 31,-0.2 2,-0.3 -0.972 43.7 171.8-156.7 155.0 8.7 -33.1 13.8 59 61 X T E -C 88 0A 0 29,-2.0 29,-2.5 157,-0.3 2,-0.3 -0.942 9.0-162.3-151.8 175.8 7.7 -29.9 12.0 60 62 X Y E -C 87 0A 0 163,-0.5 169,-0.3 -2,-0.3 27,-0.3 -0.979 19.5-115.4-164.1 166.4 8.0 -26.1 12.5 61 63 X S - 0 0 0 25,-2.0 77,-0.3 -2,-0.3 2,-0.1 -0.131 41.3 -69.9 -98.4-171.0 6.5 -23.2 11.1 62 64 X L - 0 0 28 75,-1.6 2,-0.5 167,-0.1 24,-0.3 -0.465 56.0-102.5 -71.8 153.6 7.5 -20.2 9.1 63 65 X F - 0 0 3 22,-0.1 2,-0.3 -2,-0.1 22,-0.2 -0.665 48.6-172.3 -74.5 123.9 9.7 -17.6 10.8 64 66 X M E -D 84 0A 46 20,-2.9 20,-2.5 -2,-0.5 2,-0.4 -0.793 12.3-143.5-122.2 160.2 7.6 -14.7 11.8 65 67 X A E -D 83 0A 6 -2,-0.3 18,-0.2 18,-0.2 2,-0.2 -0.941 26.0-105.1-123.5 149.8 8.2 -11.2 13.2 66 68 X E E S-D 80 0A 88 16,-1.6 14,-1.6 14,-0.5 16,-0.2 -0.527 101.1 -6.2 -66.1 144.2 6.4 -8.8 15.6 67 69 X K S S- 0 0 122 -2,-0.2 13,-0.4 12,-0.1 2,-0.3 0.231 86.8-145.9 30.2 176.3 4.9 -6.2 13.5 68 70 X R - 0 0 152 11,-0.1 11,-0.2 -4,-0.1 2,-0.1 -0.840 16.1-164.3-132.6-172.7 5.8 -6.6 9.9 69 71 X E - 0 0 84 9,-0.5 9,-1.7 -2,-0.3 0, 0.0 -0.524 10.5-153.2-172.7 115.0 6.5 -4.3 7.0 70 72 X H - 0 0 96 7,-0.2 7,-0.1 -2,-0.1 -2,-0.0 -0.771 5.4-157.0-100.1 114.4 6.6 -5.4 3.4 71 73 X P - 0 0 34 0, 0.0 2,-0.5 0, 0.0 3,-0.2 -0.100 37.0 -87.8 -65.6-177.9 8.6 -3.4 0.8 72 74 X K S S- 0 0 187 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.880 95.9 -17.5 -97.3 128.0 7.8 -3.7 -3.0 73 75 X G S S+ 0 0 87 -2,-0.5 -1,-0.2 1,-0.2 -3,-0.0 0.856 96.0 137.4 46.5 44.6 9.3 -6.5 -5.1 74 76 X L - 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0 0 32 -34,-0.6 4,-1.8 -89,-0.2 3,-0.4 -0.864 63.8-157.7 -98.6 107.9 9.6 -37.5 20.1 92 94 X P H > S+ 0 0 33 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.845 91.5 57.5 -61.3 -26.1 10.8 -36.3 23.5 93 95 X E H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.876 107.7 48.7 -74.3 -27.3 14.6 -36.8 22.5 94 96 X I H > S+ 0 0 1 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.827 110.5 48.3 -77.0 -39.3 14.1 -34.5 19.5 95 97 X A H X S+ 0 0 4 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.898 114.8 46.7 -64.6 -47.2 12.4 -31.8 21.5 96 98 X E H X S+ 0 0 119 -4,-2.1 4,-2.2 -5,-0.2 5,-0.3 0.939 111.8 49.9 -56.7 -45.0 15.2 -32.0 24.2 97 99 X A H X S+ 0 0 4 -4,-2.3 4,-1.4 1,-0.2 -56,-0.3 0.893 111.9 50.3 -63.6 -40.9 18.0 -32.0 21.6 98 100 X L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.913 112.8 42.9 -65.8 -42.9 16.4 -28.9 20.0 99 101 X V H X S+ 0 0 33 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.972 118.0 44.6 -75.2 -42.4 16.0 -26.9 23.1 100 102 X N H X S+ 0 0 71 -4,-2.2 4,-3.3 2,-0.2 -1,-0.2 0.690 109.4 57.0 -58.6 -37.5 19.5 -27.7 24.5 101 103 X G H X S+ 0 0 1 -4,-1.4 4,-0.6 -5,-0.3 -1,-0.2 0.911 108.7 46.5 -64.7 -45.0 21.0 -27.1 21.1 102 104 X L H < S+ 0 0 4 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.710 117.4 44.5 -65.3 -22.4 19.6 -23.6 21.3 103 105 X L H < S+ 0 0 101 -4,-0.9 -2,-0.2 1,-0.1 -3,-0.2 0.875 103.5 59.9 -82.5 -51.9 20.9 -23.3 25.0 104 106 X M H < S+ 0 0 114 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.1 0.677 125.6 25.4 -52.4 -17.7 24.3 -24.7 24.3 105 107 X N < + 0 0 75 -4,-0.6 -1,-0.2 -5,-0.2 3,-0.0 -0.934 60.2 169.5-146.7 134.6 24.3 -21.7 22.0 106 108 X P + 0 0 42 0, 0.0 11,-2.6 0, 0.0 2,-0.7 0.392 62.7 84.8-119.4 -2.3 22.2 -18.5 22.3 107 109 X E E -E 116 0A 124 9,-0.2 2,-0.3 7,-0.0 9,-0.2 -0.911 67.6-168.7-103.0 110.7 23.8 -16.5 19.6 108 110 X V E -E 115 0A 8 7,-3.2 7,-2.7 -2,-0.7 2,-0.6 -0.771 17.1-153.8-112.4 146.9 22.1 -17.5 16.3 109 111 X R E +E 114 0A 121 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.970 16.6 175.3-118.9 116.4 22.9 -16.7 12.8 110 112 X L E > -E 113 0A 3 3,-2.1 3,-3.8 -2,-0.6 -80,-0.1 -0.992 60.4 -50.2-122.1 132.1 20.1 -16.7 10.3 111 113 X W T 3 S- 0 0 39 -2,-0.4 -89,-0.0 1,-0.3 -85,-0.0 -0.176 124.7 -22.2 39.4-125.8 20.6 -15.7 6.6 112 114 X D T 3 S+ 0 0 99 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.424 120.8 96.2 -90.6 11.0 22.4 -12.5 7.0 113 115 X E E < - 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