==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-AUG-02 1MGW . COMPND 2 MOLECULE: GUANYL-SPECIFIC RIBONUCLEASE SA3; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AUREOFACIENS; . AUTHOR J.SEVCIK,L.URBANIKOVA,P.A.LELAND,R.T.RAINES . 99 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 51.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 15.2 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 . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 11.1 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 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 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 1 A A 0 0 152 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.1 14.9 -4.7 17.8 2 2 A S - 0 0 107 2,-0.0 2,-0.3 1,-0.0 0, 0.0 -0.281 360.0-158.9 -47.5 147.1 14.5 -2.3 20.8 3 3 A V - 0 0 108 -2,-0.1 3,-0.1 1,-0.1 -1,-0.0 -0.880 20.1-130.2-138.2 148.1 16.6 -2.6 23.9 4 4 A K S S+ 0 0 204 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.752 81.9 14.0 -81.4 -24.4 15.8 -1.3 27.4 5 5 A A - 0 0 76 42,-0.0 2,-0.2 43,-0.0 -1,-0.2 -1.000 65.8-118.1-152.6 153.2 19.1 0.5 28.1 6 6 A V - 0 0 31 -2,-0.3 87,-0.1 1,-0.1 41,-0.1 -0.576 45.2-108.6 -79.6 149.7 22.3 1.8 26.7 7 7 A G - 0 0 44 85,-0.5 87,-3.2 -2,-0.2 2,-0.3 -0.157 35.8-121.5 -74.9 177.9 25.4 0.2 28.1 8 8 A R E -a 94 0A 130 85,-0.3 2,-0.4 75,-0.1 87,-0.2 -0.851 17.9-165.5-128.2 154.1 27.7 2.1 30.5 9 9 A V E -a 95 0A 10 85,-2.0 87,-2.9 -2,-0.3 90,-0.1 -0.991 34.3-114.6-135.8 128.9 31.3 3.2 30.8 10 10 A a E >> -a 96 0A 44 -2,-0.4 3,-1.7 85,-0.2 4,-0.6 -0.406 18.3-127.6 -63.2 137.8 32.7 4.4 34.1 11 11 A Y G >4 S+ 0 0 75 85,-2.4 3,-1.7 88,-0.5 -1,-0.1 0.929 112.4 56.8 -46.1 -46.2 33.7 8.1 34.2 12 12 A S G 34 S+ 0 0 77 87,-2.1 -1,-0.3 84,-0.3 -2,-0.1 0.656 102.8 55.0 -66.0 -16.6 37.1 6.9 35.5 13 13 A A G <4 S+ 0 0 68 -3,-1.7 -1,-0.3 86,-0.2 -2,-0.2 0.467 83.5 104.2 -95.1 -4.8 37.6 4.7 32.5 14 14 A L S << S- 0 0 10 -3,-1.7 5,-0.1 -4,-0.6 -3,-0.0 -0.449 84.7 -97.3 -68.7 153.9 37.1 7.4 29.9 15 15 A P >> - 0 0 33 0, 0.0 3,-1.4 0, 0.0 4,-1.1 -0.351 35.6-112.2 -65.8 153.4 40.2 8.8 28.2 16 16 A S H 3> S+ 0 0 69 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.800 116.5 63.0 -60.0 -32.5 41.5 11.9 29.7 17 17 A Q H 3> S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 44,-0.3 0.817 98.3 56.0 -62.5 -30.3 40.5 13.9 26.7 18 18 A A H <> S+ 0 0 0 -3,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.880 104.9 51.9 -68.9 -37.0 36.9 13.0 27.3 19 19 A H H X S+ 0 0 38 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.938 107.7 53.0 -60.9 -42.6 37.2 14.5 30.8 20 20 A D H X S+ 0 0 88 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.917 108.6 51.1 -57.9 -42.7 38.6 17.7 29.1 21 21 A T H X S+ 0 0 6 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.914 107.3 50.3 -61.7 -46.0 35.5 17.7 26.9 22 22 A L H X S+ 0 0 13 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.914 111.5 50.2 -59.5 -41.7 33.1 17.4 29.7 23 23 A D H X S+ 0 0 82 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.918 107.8 52.4 -62.2 -42.7 35.0 20.3 31.4 24 24 A L H X>S+ 0 0 47 -4,-2.4 5,-2.6 2,-0.2 4,-1.2 0.895 107.1 53.5 -61.3 -36.8 34.8 22.4 28.2 25 25 A I H ><5S+ 0 0 39 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.963 109.3 48.2 -63.1 -46.8 31.0 21.8 28.0 26 26 A D H 3<5S+ 0 0 125 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.866 115.9 43.7 -57.7 -41.3 30.7 23.1 31.6 27 27 A E H 3<5S- 0 0 157 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.542 112.7-117.1 -87.7 -3.6 32.8 26.2 30.8 28 28 A G T <<5 - 0 0 60 -4,-1.2 -3,-0.2 -3,-0.8 3,-0.2 0.744 60.5-107.5 76.7 23.5 31.1 26.9 27.5 29 29 A G < - 0 0 10 -5,-2.6 2,-0.1 1,-0.3 -2,-0.1 -0.715 26.7-135.0 114.9-167.4 34.2 26.3 25.5 30 30 A P - 0 0 116 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.478 51.2-159.5 -78.9 149.0 36.4 27.2 23.9 31 31 A F - 0 0 72 -3,-0.2 5,-0.0 -2,-0.1 -10,-0.0 -0.762 16.4-146.8-103.6 138.7 35.9 24.3 21.5 32 32 A P S S+ 0 0 67 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.734 78.3 52.4 -76.8 -21.0 38.5 23.1 19.1 33 33 A Y S > S- 0 0 76 1,-0.1 3,-1.8 26,-0.1 26,-0.1 -0.910 76.2-128.4-127.2 144.9 36.3 22.1 16.2 34 34 A S T 3 S+ 0 0 122 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.779 107.5 54.1 -58.6 -32.5 33.7 24.0 14.3 35 35 A Q T > S+ 0 0 103 2,-0.1 3,-2.1 3,-0.0 -1,-0.3 0.506 77.6 121.6 -83.7 -0.9 31.0 21.3 14.7 36 36 A D T < S+ 0 0 18 -3,-1.8 22,-0.2 1,-0.3 -5,-0.1 -0.400 76.3 22.4 -62.4 127.0 31.3 21.3 18.5 37 37 A G T 3 S+ 0 0 28 20,-3.2 -1,-0.3 1,-0.3 21,-0.1 0.286 88.1 138.7 100.2 -9.2 28.0 22.1 20.0 38 38 A V < - 0 0 57 -3,-2.1 19,-2.2 19,-0.3 -1,-0.3 -0.253 63.9 -92.1 -67.0 159.1 25.8 21.1 17.1 39 39 A V B -B 56 0A 55 17,-0.2 2,-0.5 1,-0.0 17,-0.3 -0.426 35.3-140.8 -64.8 137.0 22.6 19.3 17.6 40 40 A F - 0 0 24 15,-2.7 15,-0.5 35,-0.2 13,-0.3 -0.924 7.3-158.4-104.8 125.3 23.0 15.5 17.3 41 41 A Q - 0 0 90 -2,-0.5 -1,-0.1 11,-0.1 4,-0.1 0.589 14.5-144.8 -83.6 -13.1 20.0 13.9 15.5 42 42 A N > + 0 0 18 1,-0.1 3,-1.4 2,-0.1 5,-0.1 0.884 34.2 166.6 54.3 42.7 20.3 10.3 16.9 43 43 A R T 3 + 0 0 200 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.762 67.6 54.2 -66.1 -29.2 19.2 9.0 13.5 44 44 A E T 3 S- 0 0 128 45,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.524 106.9-124.1 -81.9 -5.4 20.2 5.4 14.1 45 45 A G < + 0 0 56 -3,-1.4 4,-0.1 -4,-0.1 -2,-0.1 0.834 67.2 136.9 69.4 29.8 18.2 5.3 17.4 46 46 A L + 0 0 61 43,-0.1 46,-0.1 2,-0.1 -1,-0.1 0.752 67.0 47.3 -79.4 -25.3 21.2 4.3 19.5 47 47 A L S S- 0 0 6 1,-0.1 3,-0.1 -5,-0.1 -42,-0.0 -0.736 112.5 -71.2-108.7 159.2 20.2 6.7 22.2 48 48 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.177 61.1-102.4 -50.6 137.4 16.7 7.2 23.8 49 49 A A + 0 0 92 -4,-0.1 2,-0.3 -3,-0.1 -7,-0.1 -0.514 56.6 150.4 -67.9 127.4 14.3 8.9 21.3 50 50 A H - 0 0 93 -2,-0.3 3,-0.1 -3,-0.1 5,-0.1 -0.941 47.5 -75.3-145.5 171.4 13.7 12.5 21.9 51 51 A S > - 0 0 103 -2,-0.3 3,-2.1 1,-0.2 4,-0.2 -0.294 63.2 -80.0 -67.8 154.3 12.9 15.7 19.9 52 52 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.2 2,-0.1 -11,-0.1 -0.257 119.9 36.5 -56.6 126.4 15.4 17.4 17.8 53 53 A G T 3 S+ 0 0 29 -13,-0.3 -1,-0.3 2,-0.3 -2,-0.1 0.273 83.6 103.2 107.9 -7.7 17.5 19.6 20.0 54 54 A Y S < S+ 0 0 33 -3,-2.1 2,-0.4 -14,-0.1 -2,-0.1 0.885 81.4 47.8 -68.2 -39.6 17.6 17.2 23.0 55 55 A Y - 0 0 5 -15,-0.5 -15,-2.7 -4,-0.2 2,-0.3 -0.848 61.3-175.9-109.8 144.8 21.2 16.1 22.2 56 56 A H E -BC 39 75A 47 19,-1.6 19,-2.4 -2,-0.4 2,-0.3 -0.918 15.8-138.8-129.5 157.2 24.3 18.0 21.3 57 57 A E E - C 0 74A 13 -19,-2.2 -20,-3.2 -2,-0.3 2,-0.3 -0.901 14.8-175.6-123.5 149.4 27.8 16.6 20.3 58 58 A Y E - C 0 73A 31 15,-2.1 15,-2.6 -2,-0.3 -22,-0.1 -0.999 30.0-106.3-143.0 137.1 31.3 17.6 21.2 59 59 A T E - C 0 72A 2 -2,-0.3 2,-0.5 13,-0.2 13,-0.3 -0.349 18.1-157.7 -60.0 140.2 34.7 16.4 20.0 60 60 A V - 0 0 0 11,-2.4 11,-0.5 8,-0.2 -42,-0.1 -0.994 32.7-121.2-111.8 114.4 36.9 14.3 22.3 61 61 A I - 0 0 80 -2,-0.5 -44,-0.2 -44,-0.3 8,-0.1 -0.323 14.9-143.0 -58.9 133.2 40.4 14.8 20.9 62 62 A T > - 0 0 34 6,-0.3 3,-2.3 5,-0.3 5,-0.1 -0.915 31.5-111.2 -94.1 118.3 42.2 11.7 19.8 63 63 A P T 3 S+ 0 0 80 0, 0.0 -46,-0.0 0, 0.0 -1,-0.0 -0.286 98.0 6.6 -55.5 129.1 45.9 12.1 20.7 64 64 A G T 3 S+ 0 0 83 1,-0.2 -3,-0.0 2,-0.0 3,-0.0 0.464 91.0 137.4 75.9 6.0 48.0 12.5 17.7 65 65 A S < - 0 0 37 -3,-2.3 -1,-0.2 1,-0.1 -3,-0.1 -0.722 43.8-158.1 -81.1 128.7 45.1 12.8 15.2 66 66 A P S S+ 0 0 127 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.640 79.4 48.8 -79.2 -10.7 45.7 15.5 12.6 67 67 A T S S- 0 0 90 -5,-0.1 -5,-0.3 1,-0.0 -2,-0.1 -0.789 103.6 -91.4-121.9 170.1 41.9 15.6 12.1 68 68 A R - 0 0 30 -2,-0.3 3,-0.4 1,-0.1 -6,-0.3 0.864 66.6-173.2 -45.6 -48.9 38.8 15.7 14.3 69 69 A G - 0 0 14 1,-0.2 -1,-0.1 -8,-0.1 18,-0.1 -0.231 33.7 -53.0 86.3-166.8 38.6 11.9 14.4 70 70 A A S S+ 0 0 23 16,-0.2 18,-2.7 18,-0.1 19,-0.4 0.440 92.4 97.3 -96.1 -9.2 36.2 9.4 15.8 71 71 A R + 0 0 76 -11,-0.5 -11,-2.4 -3,-0.4 2,-0.3 -0.744 41.0 156.3 -99.7 140.5 35.6 10.4 19.4 72 72 A R E -CD 59 85A 10 13,-2.7 13,-2.4 -2,-0.4 2,-0.4 -0.992 35.1-137.2-151.2 155.4 32.7 12.4 20.8 73 73 A I E -CD 58 84A 0 -15,-2.6 -15,-2.1 -2,-0.3 2,-0.5 -0.967 21.3-160.9-107.3 133.7 30.6 13.2 23.9 74 74 A I E -CD 57 83A 0 9,-2.7 9,-3.2 -2,-0.4 2,-0.4 -0.969 9.9-149.9-113.4 124.0 26.9 13.5 23.3 75 75 A T E -CD 56 82A 17 -19,-2.4 -19,-1.6 -2,-0.5 7,-0.2 -0.829 7.9-163.3 -97.4 139.4 25.0 15.4 25.9 76 76 A G - 0 0 11 5,-3.2 5,-0.2 -2,-0.4 -21,-0.1 -0.593 32.5-108.1-103.1 169.8 21.4 14.8 26.8 77 77 A Q S S+ 0 0 107 -2,-0.2 2,-0.1 3,-0.1 3,-0.1 0.700 88.1 87.6 -74.7 -22.9 19.1 17.1 28.8 78 78 A Q S > S- 0 0 130 1,-0.1 3,-2.0 3,-0.1 -2,-0.2 -0.418 94.8 -81.6 -81.5 161.9 18.9 15.2 32.1 79 79 A W T 3 S+ 0 0 218 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.315 115.1 1.0 -57.6 132.3 21.4 15.5 34.9 80 80 A Q T 3 S+ 0 0 92 1,-0.2 2,-1.5 -3,-0.1 -1,-0.3 0.651 88.7 144.2 59.7 22.4 24.5 13.4 34.2 81 81 A E < + 0 0 7 -3,-2.0 -5,-3.2 -5,-0.2 2,-0.4 -0.550 21.3 142.1 -94.3 75.7 23.1 12.3 30.9 82 82 A D E -D 75 0A 27 -2,-1.5 13,-2.8 13,-0.3 2,-0.3 -0.934 31.3-161.6-117.8 138.6 26.3 12.1 28.9 83 83 A Y E -DE 74 94A 3 -9,-3.2 -9,-2.7 -2,-0.4 2,-0.4 -0.930 4.1-151.3-123.3 147.5 27.2 9.6 26.3 84 84 A Y E -DE 73 93A 9 9,-2.9 9,-1.7 -2,-0.3 2,-0.4 -0.948 10.6-177.8-117.0 130.9 30.6 8.6 24.8 85 85 A T E +D 72 0A 1 -13,-2.4 -13,-2.7 -2,-0.4 3,-0.2 -0.998 11.1 178.9-124.5 137.2 31.3 7.2 21.4 86 86 A A S S+ 0 0 42 -2,-0.4 -15,-0.2 5,-0.3 -16,-0.2 0.231 76.4 58.5-111.5 10.8 34.8 6.3 20.2 87 87 A D S > S- 0 0 60 4,-0.4 3,-1.4 -15,-0.1 -16,-0.2 -0.219 118.8 -84.3-140.2 43.9 33.7 5.1 16.8 88 88 A H T 3 S- 0 0 110 -18,-2.7 -17,-0.1 1,-0.2 -18,-0.1 0.914 91.5 -52.9 51.1 49.3 32.1 7.9 14.9 89 89 A Y T 3 S+ 0 0 39 -19,-0.4 -1,-0.2 2,-0.3 3,-0.1 0.587 104.8 122.6 67.7 14.5 28.6 7.2 16.4 90 90 A A S < S+ 0 0 62 -3,-1.4 2,-0.3 1,-0.2 -2,-0.1 0.745 86.4 3.6 -74.7 -25.2 28.5 3.5 15.5 91 91 A S - 0 0 57 2,-0.0 -4,-0.4 0, 0.0 -5,-0.3 -0.984 66.9-159.6-155.2 156.8 28.0 2.9 19.3 92 92 A F - 0 0 18 -2,-0.3 -85,-0.5 -7,-0.1 2,-0.4 -0.929 3.9-161.2-134.4 154.7 27.6 4.8 22.5 93 93 A R E - E 0 84A 101 -9,-1.7 -9,-2.9 -2,-0.3 2,-0.4 -0.995 26.6-121.2-131.9 142.4 28.0 4.1 26.2 94 94 A R E -aE 8 83A 54 -87,-3.2 -85,-2.0 -2,-0.4 2,-0.3 -0.658 31.6-116.1 -81.9 132.0 26.4 6.2 28.9 95 95 A V E -a 9 0A 1 -13,-2.8 2,-0.9 -2,-0.4 -13,-0.3 -0.502 20.8-149.0 -70.3 124.1 28.9 7.7 31.3 96 96 A D E > -a 10 0A 49 -87,-2.9 -85,-2.4 -2,-0.3 3,-1.4 -0.850 8.2-167.1 -97.3 104.4 28.5 6.4 34.8 97 97 A F T 3 S+ 0 0 63 -2,-0.9 -1,-0.1 1,-0.3 -87,-0.1 0.576 78.3 68.0 -69.7 -9.6 29.5 9.3 37.1 98 98 A A T 3 0 0 94 -3,-0.0 -1,-0.3 -87,-0.0 -88,-0.1 0.437 360.0 360.0 -91.3 1.4 29.7 7.0 40.2 99 99 A a < 0 0 68 -3,-1.4 -87,-2.1 -90,-0.1 -88,-0.5 -0.849 360.0 360.0-142.9 360.0 32.7 4.9 39.1