==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-AUG-02 1MGR . COMPND 2 MOLECULE: GUANYL-SPECIFIC RIBONUCLEASE SA3; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AUREOFACIENS; . AUTHOR J.SEVCIK,L.URBANIKOVA,P.A.LELAND,R.T.RAINES . 97 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5994.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 52.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 0 0.0 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 . 6 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 A V 0 0 125 0, 0.0 2,-0.2 0, 0.0 43,-0.1 0.000 360.0 360.0 360.0 42.1 -12.7 18.7 72.0 2 4 A K - 0 0 171 42,-0.1 2,-0.1 87,-0.0 87,-0.0 -0.613 360.0-135.7-163.8 131.7 -10.7 16.1 70.2 3 5 A A - 0 0 93 -2,-0.2 2,-0.6 1,-0.0 87,-0.2 -0.372 21.3-113.1 -80.5 169.6 -8.0 14.3 72.1 4 6 A V - 0 0 50 -2,-0.1 87,-0.2 85,-0.1 -1,-0.0 -0.925 28.9-154.3-110.2 118.8 -4.6 13.6 70.5 5 7 A G E -a 91 0A 41 85,-1.0 87,-3.1 -2,-0.6 2,-0.3 0.089 16.1-113.4 -73.5-169.5 -3.6 10.0 69.8 6 8 A R E -a 92 0A 180 85,-0.3 2,-0.4 75,-0.1 87,-0.2 -0.933 21.3-167.7-130.5 144.7 -0.2 8.5 69.6 7 9 A V E -a 93 0A 17 85,-2.7 87,-2.6 -2,-0.3 2,-0.3 -0.995 26.9-118.1-134.7 133.7 1.6 7.1 66.6 8 10 A a E > -a 94 0A 38 -2,-0.4 3,-2.6 85,-0.2 4,-0.5 -0.552 16.3-129.0 -72.2 136.7 4.9 5.0 66.8 9 11 A Y G > S+ 0 0 67 85,-2.8 3,-1.9 88,-0.4 -1,-0.1 0.901 111.2 58.0 -45.1 -44.7 7.9 6.5 65.2 10 12 A S G 3 S+ 0 0 83 87,-1.7 -1,-0.3 84,-0.3 85,-0.1 0.761 102.2 54.8 -63.4 -19.5 8.4 3.1 63.5 11 13 A A G < S+ 0 0 69 -3,-2.6 -1,-0.3 86,-0.2 -2,-0.2 0.350 86.1 102.0 -95.9 0.6 4.9 3.4 62.0 12 14 A L S < S- 0 0 11 -3,-1.9 5,-0.1 -4,-0.5 -3,-0.0 -0.572 83.4 -97.4 -83.2 154.5 5.5 6.8 60.3 13 15 A P >> - 0 0 38 0, 0.0 4,-1.3 0, 0.0 3,-1.1 -0.304 35.4-110.2 -66.5 154.0 6.3 7.0 56.5 14 16 A S H 3> S+ 0 0 66 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.831 117.9 60.3 -60.4 -35.1 10.0 7.2 55.5 15 17 A Q H 3> S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 44,-0.3 0.832 102.0 53.1 -58.1 -35.6 9.5 10.8 54.4 16 18 A A H <> S+ 0 0 0 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.852 106.4 52.4 -68.8 -35.0 8.4 11.7 57.9 17 19 A H H X S+ 0 0 40 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.946 108.5 51.5 -61.1 -46.3 11.7 10.1 59.2 18 20 A D H X S+ 0 0 87 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.927 109.7 49.7 -53.6 -51.0 13.5 12.4 56.7 19 21 A T H X S+ 0 0 8 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.893 109.4 50.2 -54.4 -46.3 11.7 15.4 58.0 20 22 A L H X S+ 0 0 17 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.918 110.4 50.4 -62.4 -39.1 12.5 14.6 61.6 21 23 A D H X S+ 0 0 85 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 110.6 50.3 -61.1 -44.9 16.2 14.1 60.7 22 24 A L H X>S+ 0 0 41 -4,-2.5 5,-1.7 1,-0.2 4,-1.6 0.876 108.0 51.6 -65.2 -39.5 16.2 17.5 58.9 23 25 A I H <5S+ 0 0 38 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.906 108.6 52.2 -61.9 -40.1 14.6 19.2 62.0 24 26 A D H <5S+ 0 0 140 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.877 114.9 42.9 -62.5 -35.8 17.4 17.7 64.1 25 27 A E H <5S- 0 0 141 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.679 111.5-118.1 -85.1 -20.6 20.0 19.1 61.7 26 28 A G T <5 - 0 0 62 -4,-1.6 -3,-0.2 -5,-0.2 3,-0.2 0.637 63.3-101.8 90.2 17.0 18.4 22.5 61.3 27 29 A G < - 0 0 15 -5,-1.7 2,-0.1 1,-0.3 -2,-0.0 -0.688 34.4-142.5 126.2-178.0 17.8 22.1 57.5 28 30 A P - 0 0 109 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.476 51.0-172.1 -81.6 148.8 18.0 22.2 54.6 29 31 A F - 0 0 64 -3,-0.2 -10,-0.0 -2,-0.1 5,-0.0 -0.820 24.0-140.7-110.4 144.8 14.2 22.3 54.0 30 32 A P S S+ 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.753 79.7 51.9 -75.1 -23.0 12.5 22.0 50.7 31 33 A Y S > S- 0 0 84 1,-0.1 3,-1.6 26,-0.1 26,-0.1 -0.852 75.2-127.8-123.1 151.7 9.8 24.6 51.2 32 34 A S T 3 S+ 0 0 107 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.787 108.4 57.3 -65.2 -30.6 9.7 28.2 52.3 33 35 A Q T > S+ 0 0 74 2,-0.1 3,-2.1 3,-0.0 2,-0.4 0.557 76.4 115.7 -79.1 -6.7 7.1 27.5 55.0 34 36 A D T < S+ 0 0 16 -3,-1.6 22,-0.2 1,-0.3 -5,-0.1 -0.495 83.1 18.4 -69.9 121.7 9.3 24.9 56.7 35 37 A G T 3 S+ 0 0 28 20,-3.0 -1,-0.3 -2,-0.4 21,-0.1 0.322 91.4 133.5 99.1 -5.0 10.0 26.2 60.1 36 38 A V < - 0 0 64 -3,-2.1 19,-2.7 19,-0.5 -1,-0.3 -0.317 66.5 -87.0 -74.7 160.0 7.3 28.8 60.4 37 39 A V B -B 54 0A 59 17,-0.2 2,-0.6 -3,-0.1 17,-0.3 -0.448 33.3-142.7 -66.0 136.5 5.2 29.2 63.5 38 40 A F - 0 0 23 15,-2.3 15,-0.5 35,-0.2 13,-0.4 -0.924 8.3-156.6-101.4 124.9 2.1 27.0 63.6 39 41 A Q - 0 0 120 -2,-0.6 -1,-0.1 11,-0.1 4,-0.1 0.620 13.1-143.8 -82.7 -14.4 -0.6 29.0 65.3 40 42 A N > + 0 0 23 1,-0.1 3,-1.9 2,-0.1 5,-0.1 0.850 35.4 165.4 54.5 39.7 -2.8 26.1 66.5 41 43 A R T 3 + 0 0 213 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.784 68.3 53.2 -61.8 -27.8 -5.9 28.2 65.8 42 44 A E T 3 S- 0 0 149 45,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.477 105.4-126.8 -88.3 -4.5 -8.4 25.3 66.0 43 45 A G < + 0 0 48 -3,-1.9 4,-0.1 -4,-0.1 -2,-0.1 0.635 66.9 133.2 71.2 19.0 -7.1 24.4 69.5 44 46 A L + 0 0 39 43,-0.1 -42,-0.1 2,-0.1 46,-0.1 0.831 64.3 53.3 -72.1 -32.0 -6.4 20.8 68.6 45 47 A L S S- 0 0 4 1,-0.1 3,-0.1 -5,-0.1 -42,-0.0 -0.625 112.3 -73.8 -94.7 160.4 -3.0 20.7 70.2 46 48 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.239 59.0 -99.1 -54.9 136.9 -2.4 21.8 73.8 47 49 A A + 0 0 94 -4,-0.1 2,-0.3 -3,-0.1 -7,-0.1 -0.398 56.7 154.2 -60.1 120.8 -2.7 25.6 74.3 48 50 A H - 0 0 88 -2,-0.2 3,-0.1 -3,-0.1 5,-0.1 -0.915 48.7 -76.9-138.6 173.1 0.7 27.4 74.5 49 51 A S > - 0 0 96 -2,-0.3 3,-1.7 1,-0.2 4,-0.2 -0.288 64.9 -83.2 -65.6 154.8 2.0 30.8 73.8 50 52 A T T 3 S+ 0 0 122 1,-0.3 -1,-0.2 2,-0.1 -11,-0.1 -0.337 117.7 37.8 -62.3 135.9 2.5 31.7 70.2 51 53 A G T 3 S+ 0 0 23 -13,-0.4 -1,-0.3 2,-0.3 -2,-0.1 0.265 83.3 104.8 103.9 -12.1 5.8 30.4 69.0 52 54 A Y S < S+ 0 0 17 -3,-1.7 2,-0.4 -14,-0.1 -2,-0.1 0.862 78.2 50.8 -65.6 -36.2 5.7 27.2 70.9 53 55 A Y - 0 0 7 -15,-0.5 -15,-2.3 -4,-0.2 2,-0.3 -0.873 62.4-176.0-111.8 140.9 4.8 25.3 67.7 54 56 A H E -BC 37 73A 54 19,-1.6 19,-2.5 -2,-0.4 2,-0.4 -0.944 17.2-135.1-128.8 151.9 6.5 25.2 64.3 55 57 A E E - C 0 72A 24 -19,-2.7 -20,-3.0 -2,-0.3 -19,-0.5 -0.859 16.8-175.9-114.9 145.4 5.5 23.3 61.2 56 58 A Y E - C 0 71A 31 15,-2.4 15,-2.4 -2,-0.4 2,-0.2 -0.996 27.2-113.9-137.3 139.4 7.5 21.3 58.6 57 59 A T E - C 0 70A 4 -2,-0.3 2,-0.6 13,-0.2 13,-0.2 -0.514 15.9-156.7 -71.4 139.9 6.5 19.6 55.4 58 60 A V - 0 0 0 11,-2.0 11,-0.4 8,-0.2 -42,-0.1 -0.981 30.2-122.4-109.9 118.3 6.5 15.8 55.1 59 61 A I - 0 0 81 -2,-0.6 -44,-0.1 -44,-0.3 7,-0.1 -0.367 14.7-143.3 -64.5 138.0 6.9 15.1 51.4 60 62 A T > - 0 0 34 5,-0.3 3,-1.8 3,-0.1 5,-0.1 -0.947 27.9-117.2 -98.1 119.1 4.1 13.0 49.8 61 63 A P T 3 S+ 0 0 78 0, 0.0 -46,-0.0 0, 0.0 0, 0.0 -0.326 96.9 12.9 -57.8 132.1 5.7 10.7 47.2 62 64 A G T 3 S+ 0 0 91 1,-0.2 -3,-0.0 2,-0.0 0, 0.0 0.552 94.3 128.0 78.8 8.0 4.3 11.5 43.7 63 65 A S < - 0 0 42 -3,-1.8 -1,-0.2 2,-0.1 -3,-0.1 -0.823 47.5-157.4 -99.2 138.0 2.6 14.8 44.7 64 66 A P S S+ 0 0 128 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.441 80.0 49.8 -90.9 -2.6 3.4 18.0 42.7 65 67 A T S S- 0 0 90 -5,-0.1 -5,-0.3 0, 0.0 -2,-0.1 -0.660 106.1 -89.7-120.5 179.7 2.3 20.3 45.5 66 68 A R - 0 0 50 -2,-0.2 3,-0.4 1,-0.2 -8,-0.2 0.629 63.6-157.1 -65.9 -16.2 3.4 20.3 49.2 67 69 A G - 0 0 26 1,-0.2 -1,-0.2 -8,-0.1 18,-0.1 -0.202 30.2 -71.0 69.7-160.8 0.5 18.0 49.9 68 70 A A S S+ 0 0 33 16,-0.2 18,-2.6 -3,-0.1 2,-0.4 0.330 90.4 108.0-119.9 2.5 -1.2 17.7 53.3 69 71 A R + 0 0 73 -11,-0.4 -11,-2.0 -3,-0.4 2,-0.3 -0.712 41.6 160.9 -90.6 136.4 1.4 15.8 55.5 70 72 A R E -CD 57 83A 9 13,-2.4 13,-2.4 -2,-0.4 2,-0.4 -0.987 35.5-139.5-149.2 154.1 3.2 17.8 58.2 71 73 A I E -CD 56 82A 0 -15,-2.4 -15,-2.4 -2,-0.3 2,-0.5 -0.968 18.7-162.4-107.4 132.2 5.3 17.5 61.4 72 74 A I E -CD 55 81A 0 9,-2.8 9,-3.1 -2,-0.4 2,-0.4 -0.972 9.2-158.0-110.1 130.9 4.5 20.1 64.1 73 75 A T E -CD 54 80A 15 -19,-2.5 -19,-1.6 -2,-0.5 7,-0.2 -0.850 0.6-151.9-106.4 147.7 7.1 20.4 66.8 74 76 A G - 0 0 11 5,-2.7 5,-0.3 -2,-0.4 -21,-0.2 -0.577 33.8-100.3-105.0 175.6 6.6 21.8 70.3 75 77 A Q S S+ 0 0 128 -2,-0.2 2,-0.2 3,-0.1 3,-0.1 0.769 96.2 87.2 -68.9 -28.0 9.2 23.6 72.5 76 78 A Q S > S- 0 0 128 1,-0.1 3,-2.1 -24,-0.1 -2,-0.3 -0.484 96.8 -87.7 -75.0 140.3 10.0 20.5 74.6 77 79 A W T 3 S- 0 0 240 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.116 109.3 -0.9 -47.1 133.7 12.6 18.0 73.5 78 80 A Q T 3 S+ 0 0 120 1,-0.2 2,-1.0 -4,-0.1 -1,-0.3 0.683 86.5 144.0 54.0 24.5 11.1 15.3 71.2 79 81 A E < + 0 0 8 -3,-2.1 -5,-2.7 -5,-0.3 2,-0.3 -0.854 25.4 155.8 -90.4 101.1 7.6 16.8 71.3 80 82 A D E -D 73 0A 15 -2,-1.0 13,-3.2 13,-0.4 2,-0.4 -0.977 27.7-162.0-133.6 141.7 6.4 16.1 67.7 81 83 A Y E -DE 72 92A 11 -9,-3.1 -9,-2.8 -2,-0.3 2,-0.4 -0.974 8.3-149.8-128.0 138.9 3.0 15.7 66.2 82 84 A Y E -DE 71 91A 11 9,-2.9 9,-1.6 -2,-0.4 2,-0.4 -0.895 13.2-179.6-108.5 135.0 2.2 14.2 62.8 83 85 A T E -D 70 0A 1 -13,-2.4 -13,-2.4 -2,-0.4 3,-0.2 -0.998 15.6-178.8-128.7 142.5 -0.8 15.1 60.6 84 86 A A S S+ 0 0 49 -2,-0.4 -16,-0.2 5,-0.3 -15,-0.2 0.353 80.9 54.9-114.5 10.4 -1.7 13.6 57.3 85 87 A D S > S- 0 0 65 4,-0.4 3,-0.8 -15,-0.1 -16,-0.2 -0.150 118.5 -89.7-141.0 37.7 -4.7 15.7 56.5 86 88 A H T 3 S- 0 0 110 -18,-2.6 -17,-0.1 1,-0.2 -2,-0.0 0.907 91.4 -43.8 49.2 52.0 -3.5 19.3 56.8 87 89 A Y T 3 S+ 0 0 22 2,-0.3 -1,-0.2 -19,-0.3 -43,-0.1 0.584 105.0 117.2 78.6 15.6 -4.2 19.8 60.5 88 90 A A S < S+ 0 0 62 -3,-0.8 2,-0.3 1,-0.3 -2,-0.1 0.831 88.7 9.2 -79.6 -27.5 -7.6 18.2 60.7 89 91 A S - 0 0 64 2,-0.0 -4,-0.4 -85,-0.0 -5,-0.3 -0.997 69.3-162.7-149.2 154.1 -6.2 15.5 63.1 90 92 A F - 0 0 16 -2,-0.3 -85,-1.0 -87,-0.2 2,-0.4 -0.935 7.2-164.7-136.7 150.9 -3.0 14.9 64.9 91 93 A R E -aE 5 82A 115 -9,-1.6 -9,-2.9 -2,-0.3 -85,-0.3 -0.995 27.9-119.8-134.5 141.4 -1.1 12.1 66.6 92 94 A R E -aE 6 81A 101 -87,-3.1 -85,-2.7 -2,-0.4 2,-0.4 -0.566 31.8-119.5 -77.1 133.5 1.8 12.5 69.0 93 95 A V E -a 7 0A 3 -13,-3.2 2,-0.7 -2,-0.3 -13,-0.4 -0.643 21.1-153.4 -80.3 133.1 5.0 10.8 67.8 94 96 A D E > -a 8 0A 46 -87,-2.6 -85,-2.8 -2,-0.4 3,-1.0 -0.927 9.6-172.1-110.7 105.2 6.2 8.1 70.2 95 97 A F T 3 S+ 0 0 63 -2,-0.7 -1,-0.1 1,-0.2 -87,-0.1 0.721 77.5 70.2 -73.5 -15.8 9.9 7.7 69.8 96 98 A A T 3 0 0 98 -87,-0.0 -1,-0.2 -86,-0.0 -88,-0.1 0.361 360.0 360.0 -83.8 1.4 10.0 4.6 72.1 97 99 A a < 0 0 67 -3,-1.0 -87,-1.7 -90,-0.1 -88,-0.4 -0.955 360.0 360.0-143.6 360.0 8.2 2.4 69.6