==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-OCT-99 1C54 . COMPND 2 MOLECULE: RIBONUCLEASE SA; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AUREOFACIENS; . AUTHOR D.V.LAURENTS,J.M.CANADILLAS-PEREZ,J.SANTORO,D.SCHELL, . 96 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 47.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 10.4 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 . 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 . 1 1.0 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 . 10 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 9.4 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 1 0 0 0 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 . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 D 0 0 176 0, 0.0 43,-0.1 0, 0.0 88,-0.1 0.000 360.0 360.0 360.0 176.1 2.1 0.0 -1.2 2 2 A V - 0 0 20 1,-0.2 88,-0.2 86,-0.1 3,-0.1 -0.106 360.0-124.7 -41.9 142.0 2.0 -2.5 -4.1 3 3 A S - 0 0 108 86,-2.1 2,-0.2 1,-0.3 -1,-0.2 0.277 66.4 -85.7 -78.1 12.9 1.3 -6.1 -3.0 4 4 A G - 0 0 32 85,-0.2 87,-0.8 2,-0.0 -1,-0.3 -0.559 62.0 -48.8 106.0 179.1 4.6 -7.0 -4.7 5 5 A T E -a 91 0A 70 85,-0.3 2,-0.4 -2,-0.2 87,-0.2 -0.225 44.2-136.5 -80.9 173.8 5.5 -8.0 -8.3 6 6 A V E -a 92 0A 32 85,-1.3 87,-2.5 84,-0.1 90,-0.1 -0.985 22.0-118.3-143.6 110.4 3.8 -10.5 -10.6 7 7 A a E >> -a 93 0A 43 -2,-0.4 4,-0.8 85,-0.2 3,-0.7 -0.379 21.1-129.9 -46.6 128.9 5.7 -12.9 -12.7 8 8 A L G >4 S+ 0 0 34 85,-2.3 3,-1.1 88,-1.0 8,-0.2 0.920 112.8 56.0 -56.6 -33.3 4.8 -12.2 -16.4 9 9 A S G 34 S+ 0 0 108 84,-0.3 -1,-0.2 1,-0.3 85,-0.1 0.786 102.0 56.6 -66.0 -27.4 4.1 -16.0 -16.7 10 10 A A G <4 S+ 0 0 71 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.685 100.3 78.5 -75.7 -20.5 1.6 -15.5 -13.8 11 11 A L S << S- 0 0 19 -3,-1.1 5,-0.0 -4,-0.8 81,-0.0 -0.473 92.3 -97.4 -86.2 158.7 -0.1 -12.9 -16.0 12 12 A P >> - 0 0 30 0, 0.0 3,-1.5 0, 0.0 4,-1.1 -0.253 34.1-106.3 -69.3 167.4 -2.5 -13.5 -19.0 13 13 A P T 34 S+ 0 0 109 0, 0.0 4,-0.4 0, 0.0 46,-0.1 0.739 122.8 56.9 -68.7 -14.0 -1.3 -13.5 -22.7 14 14 A E T 3> S+ 0 0 34 2,-0.2 4,-0.7 1,-0.1 44,-0.4 0.548 96.2 64.2 -92.9 -6.2 -3.1 -10.2 -23.0 15 15 A A H <> S+ 0 0 0 -3,-1.5 4,-1.2 2,-0.2 3,-0.4 0.937 97.2 53.5 -81.6 -43.2 -1.0 -8.7 -20.2 16 16 A T H X S+ 0 0 54 -4,-1.1 4,-2.8 1,-0.2 5,-0.2 0.762 95.6 74.4 -59.1 -29.0 2.3 -9.0 -22.1 17 17 A D H > S+ 0 0 46 -4,-0.4 4,-2.5 1,-0.2 3,-0.3 0.962 97.1 43.8 -51.1 -58.1 0.5 -7.1 -24.9 18 18 A T H X S+ 0 0 1 -4,-0.7 4,-2.8 -3,-0.4 5,-0.3 0.874 111.1 53.5 -54.6 -50.0 0.7 -3.8 -23.0 19 19 A L H X S+ 0 0 19 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.914 111.5 47.7 -55.0 -35.3 4.4 -4.4 -22.0 20 20 A N H X S+ 0 0 94 -4,-2.8 4,-3.8 -3,-0.3 -2,-0.2 0.900 111.2 49.9 -71.3 -39.4 5.0 -4.9 -25.7 21 21 A L H <>S+ 0 0 16 -4,-2.5 5,-2.2 2,-0.2 -2,-0.2 0.819 113.9 45.2 -70.2 -32.7 3.1 -1.8 -26.6 22 22 A I H <5S+ 0 0 50 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.875 119.3 42.7 -72.7 -38.2 5.2 0.2 -23.9 23 23 A A H <5S+ 0 0 85 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.934 124.4 34.9 -73.2 -42.6 8.4 -1.5 -25.2 24 24 A S T <5S- 0 0 82 -4,-3.8 -1,-0.2 -5,-0.2 -3,-0.2 0.290 106.9-127.3 -93.4 8.7 7.5 -1.0 -28.9 25 25 A D T 5 - 0 0 135 -5,-0.2 -3,-0.2 -3,-0.1 -4,-0.1 0.888 58.9-107.9 39.8 50.0 5.8 2.3 -28.0 26 26 A G < - 0 0 10 -5,-2.2 2,-0.1 1,-0.3 7,-0.0 -0.462 37.4-143.8 86.0-166.9 2.7 1.0 -29.8 27 27 A P - 0 0 130 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.617 53.0-158.4 -76.2 141.6 0.7 0.8 -31.9 28 28 A F - 0 0 43 1,-0.1 5,-0.1 -3,-0.1 -10,-0.0 -0.787 14.5-157.8 -94.0 136.4 -1.9 0.1 -29.2 29 29 A P S S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.975 74.8 60.8 -75.7 -62.0 -5.2 -1.6 -30.0 30 30 A Y S S- 0 0 61 26,-0.2 -2,-0.1 2,-0.2 28,-0.0 -0.118 88.4-119.1 -59.6 158.9 -7.3 -0.4 -27.1 31 31 A S S S+ 0 0 124 1,-0.1 2,-1.1 24,-0.0 -1,-0.1 0.590 92.6 96.6 -71.6 -15.2 -8.1 3.4 -26.5 32 32 A Q + 0 0 31 24,-0.1 -2,-0.2 23,-0.0 2,-0.2 -0.723 63.5 82.7 -88.3 95.4 -6.3 3.0 -23.1 33 33 A D + 0 0 39 -2,-1.1 22,-0.2 22,-0.2 3,-0.1 -0.565 62.7 45.8 166.6 136.1 -2.7 4.1 -23.8 34 34 A G S S+ 0 0 61 20,-0.7 2,-0.3 1,-0.4 21,-0.1 0.768 83.0 115.5 87.0 38.3 -0.6 7.3 -24.0 35 35 A V E -B 54 0B 64 19,-0.7 19,-2.0 2,-0.0 -1,-0.4 -0.978 61.1-121.4-135.4 148.9 -2.0 8.9 -20.9 36 36 A V E -B 53 0B 60 -2,-0.3 17,-0.4 17,-0.3 2,-0.3 -0.589 12.5-158.8 -85.9 154.8 -0.5 9.9 -17.5 37 37 A F - 0 0 1 15,-1.8 2,-3.5 -2,-0.2 16,-0.1 -0.788 4.1-162.9-135.2 89.5 -1.7 8.6 -14.1 38 38 A Q - 0 0 99 -2,-0.3 4,-0.2 1,-0.2 11,-0.1 -0.205 56.5 -99.5 -70.3 54.1 -0.6 11.0 -11.2 39 39 A N > + 0 0 22 -2,-3.5 3,-3.3 1,-0.2 -1,-0.2 0.797 59.0 175.3 25.5 52.3 -1.4 8.0 -8.8 40 40 A R T 3 S+ 0 0 169 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.826 77.0 57.8 -56.8 -21.2 -4.7 9.8 -8.2 41 41 A E T 3 S- 0 0 76 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.485 98.7-143.1 -78.4 -12.0 -5.5 6.7 -6.1 42 42 A S S < S+ 0 0 100 -3,-3.3 -2,-0.1 -4,-0.2 -3,-0.1 0.845 72.5 111.0 45.4 39.2 -2.4 7.3 -3.9 43 43 A V + 0 0 61 45,-0.1 -1,-0.1 -42,-0.0 -3,-0.1 0.496 56.7 78.8-110.6 -13.3 -2.0 3.5 -3.8 44 44 A L S S- 0 0 9 -43,-0.1 2,-2.7 -5,-0.1 45,-0.0 -0.709 93.6-106.9-104.3 148.9 1.1 3.4 -6.0 45 45 A P S S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.317 72.6 139.9 -74.4 56.1 4.8 4.2 -4.8 46 46 A T + 0 0 22 -2,-2.7 3,-0.1 1,-0.1 -8,-0.0 0.001 26.5 163.5 -80.8-162.3 4.7 7.5 -6.7 47 47 A Q + 0 0 193 1,-0.6 2,-0.2 -2,-0.0 -1,-0.1 0.034 61.3 59.1 170.7 -39.7 6.1 10.8 -5.5 48 48 A S S S- 0 0 52 3,-0.0 -1,-0.6 0, 0.0 3,-0.4 -0.708 81.2-105.4-115.1 162.9 6.3 12.9 -8.7 49 49 A Y S S+ 0 0 190 -2,-0.2 -11,-0.0 1,-0.2 0, 0.0 -0.734 101.0 13.9 -91.7 138.6 3.9 14.1 -11.4 50 50 A G S S+ 0 0 13 -2,-0.3 -1,-0.2 1,-0.1 -12,-0.1 0.387 88.5 120.1 73.9 8.7 3.8 12.5 -14.8 51 51 A Y + 0 0 55 -3,-0.4 23,-1.0 -15,-0.1 2,-0.3 0.278 69.0 56.3 -81.8 13.4 5.9 9.6 -13.4 52 52 A Y E - C 0 73B 0 21,-0.3 -15,-1.8 22,-0.1 2,-0.3 -0.992 59.2-174.0-149.4 156.5 3.0 7.2 -14.3 53 53 A H E -BC 36 72B 39 19,-2.1 19,-1.4 -17,-0.4 2,-0.4 -0.923 20.3-125.4-152.1 155.0 0.9 6.1 -17.3 54 54 A E E +BC 35 71B 10 -19,-2.0 -20,-0.7 -2,-0.3 -19,-0.7 -0.910 28.1 161.5-110.0 145.1 -2.1 3.9 -18.0 55 55 A Y - 0 0 23 15,-2.4 -22,-0.2 -2,-0.4 -37,-0.1 -0.456 27.8-148.6-161.3 62.1 -2.2 1.1 -20.5 56 56 A T - 0 0 5 13,-0.2 2,-0.6 1,-0.1 -26,-0.2 -0.115 19.6-124.5 -40.1 129.6 -5.2 -1.3 -19.9 57 57 A V - 0 0 0 1,-0.1 -42,-0.2 9,-0.1 -1,-0.1 -0.761 25.7-117.3 -83.6 121.1 -4.3 -4.8 -20.9 58 58 A I - 0 0 45 -2,-0.6 -41,-0.1 -44,-0.4 -40,-0.1 -0.059 32.8-161.6 -42.3 162.0 -6.8 -6.3 -23.4 59 59 A T > - 0 0 21 5,-0.1 3,-1.0 3,-0.1 2,-0.1 -0.979 18.9-113.8-157.0 138.5 -8.8 -9.4 -22.2 60 60 A P T 3 S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -46,-0.0 -0.470 102.3 9.6 -74.4 144.3 -10.8 -12.2 -23.9 61 61 A G T 3 S+ 0 0 77 1,-0.2 2,-1.3 -2,-0.1 3,-0.1 0.713 86.7 154.0 54.6 26.6 -14.6 -12.2 -23.2 62 62 A A < - 0 0 27 -3,-1.0 -1,-0.2 1,-0.2 -3,-0.1 -0.741 32.2-163.8 -86.9 89.1 -14.1 -8.8 -21.6 63 63 A R S S+ 0 0 244 -2,-1.3 2,-0.2 -3,-0.1 -1,-0.2 0.759 78.3 8.1 -40.2 -31.9 -17.6 -7.4 -22.1 64 64 A T S S- 0 0 98 -3,-0.1 -5,-0.1 -5,-0.0 3,-0.0 -0.622 115.7 -59.9-129.8-162.3 -15.9 -4.1 -21.3 65 65 A R S S- 0 0 129 -2,-0.2 -3,-0.1 -7,-0.1 -2,-0.0 0.680 81.5-126.9 -59.5 -14.6 -12.3 -2.7 -20.8 66 66 A G - 0 0 11 1,-0.1 18,-0.1 -10,-0.0 17,-0.1 0.494 20.4 -91.8 69.0 137.1 -12.2 -5.2 -17.9 67 67 A T S S+ 0 0 65 16,-0.2 18,-1.5 18,-0.1 17,-0.5 0.796 99.3 109.1 -46.2 -28.7 -11.3 -4.2 -14.4 68 68 A R + 0 0 63 15,-0.4 2,-0.3 16,-0.2 -12,-0.1 -0.168 43.7 162.5 -50.3 139.1 -7.7 -5.2 -15.6 69 69 A R - 0 0 26 -13,-0.2 13,-1.5 -14,-0.1 2,-0.4 -0.914 29.8-141.3-165.1 137.9 -5.4 -2.2 -16.1 70 70 A I E - D 0 81B 0 -2,-0.3 -15,-2.4 11,-0.2 2,-0.5 -0.915 11.5-166.7-105.1 138.5 -1.6 -1.7 -16.3 71 71 A I E -CD 54 80B 0 9,-2.8 9,-3.5 -2,-0.4 -17,-0.2 -0.966 10.2-168.0-127.9 103.4 0.1 1.3 -14.8 72 72 A T E -C 53 0B 9 -19,-1.4 -19,-2.1 -2,-0.5 7,-0.2 -0.530 9.7-137.6 -88.4 162.9 3.6 1.9 -15.9 73 73 A G E -C 52 0B 14 2,-0.4 -21,-0.3 -21,-0.2 5,-0.1 -0.414 31.7 -97.7-104.2-171.5 6.2 4.3 -14.3 74 74 A E S S+ 0 0 116 -23,-1.0 2,-0.4 -2,-0.2 -22,-0.1 0.545 110.6 57.8 -86.3 -11.1 8.7 6.8 -15.8 75 75 A A S S- 0 0 51 -24,-0.3 -2,-0.4 3,-0.1 -1,-0.0 -0.981 98.7-104.2-121.7 132.1 11.5 4.1 -15.4 76 76 A T S S+ 0 0 120 -2,-0.4 -2,-0.1 1,-0.2 -4,-0.0 -0.233 101.5 48.5 -49.1 144.7 11.3 0.7 -17.0 77 77 A Q S S+ 0 0 117 -4,-0.1 -1,-0.2 15,-0.1 14,-0.1 0.888 84.2 97.5 81.2 56.5 10.4 -2.2 -14.6 78 78 A E + 0 0 40 -5,-0.1 2,-0.7 2,-0.0 -3,-0.1 -0.201 35.8 140.8-166.4 54.9 7.4 -0.5 -12.9 79 79 A D - 0 0 12 13,-0.3 2,-0.3 -7,-0.2 -7,-0.3 -0.888 34.9-157.4-112.7 93.2 4.2 -1.8 -14.5 80 80 A Y E -D 71 0B 0 -9,-3.5 -9,-2.8 -2,-0.7 2,-0.6 -0.634 1.4-156.6 -74.2 135.9 1.5 -2.3 -11.9 81 81 A Y E +D 70 0B 29 9,-1.6 -11,-0.2 -2,-0.3 8,-0.1 -0.902 13.2 178.5-121.6 91.9 -1.4 -4.7 -12.8 82 82 A T - 0 0 6 -13,-1.5 -1,-0.2 -2,-0.6 -14,-0.2 0.997 3.5-176.4 -44.5 -75.9 -4.5 -4.0 -10.8 83 83 A G S S+ 0 0 13 -16,-0.5 -15,-0.4 -14,-0.2 -16,-0.2 0.501 75.7 65.9 76.6 8.3 -6.7 -6.7 -12.3 84 84 A D S S- 0 0 98 -17,-0.5 -16,-0.2 4,-0.2 -17,-0.1 0.161 122.2 -87.4-139.8 17.5 -9.6 -5.3 -10.1 85 85 A H S S- 0 0 106 -18,-1.5 -17,-0.1 1,-0.1 -18,-0.1 0.966 95.2 -31.5 69.1 83.8 -10.0 -1.8 -11.6 86 86 A Y S S+ 0 0 29 -19,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.741 118.9 109.4 50.1 25.9 -7.6 0.5 -9.9 87 87 A A S S+ 0 0 55 -20,-0.2 2,-0.1 1,-0.1 -1,-0.1 0.931 78.2 11.8 -94.9 -58.0 -8.2 -1.8 -6.8 88 88 A T - 0 0 52 2,-0.0 2,-0.3 -86,-0.0 -4,-0.2 -0.377 65.2-152.3-112.0 178.6 -4.9 -3.7 -6.3 89 89 A F + 0 0 3 -7,-0.2 -86,-2.1 -2,-0.1 2,-0.4 -0.888 15.0 172.2-161.6 122.2 -1.4 -3.2 -7.9 90 90 A S - 0 0 26 -2,-0.3 -9,-1.6 -88,-0.2 -85,-0.3 -0.949 31.1-126.6-140.4 107.9 1.3 -5.7 -8.5 91 91 A L E -a 5 0A 27 -87,-0.8 -85,-1.3 -2,-0.4 2,-0.6 -0.014 28.8-111.3 -43.2 161.9 4.4 -4.8 -10.5 92 92 A I E -a 6 0A 3 -13,-0.2 2,-1.0 -87,-0.2 -13,-0.3 -0.912 19.8-159.7-110.9 122.3 5.4 -7.0 -13.5 93 93 A D E -a 7 0A 50 -87,-2.5 -85,-2.3 -2,-0.6 3,-0.4 -0.810 8.6-177.9 -99.2 97.2 8.5 -9.1 -13.4 94 94 A Q S S+ 0 0 80 -2,-1.0 -1,-0.2 1,-0.2 -85,-0.2 0.911 85.2 60.3 -60.0 -40.2 9.3 -9.9 -17.0 95 95 A T 0 0 127 -3,-0.1 -1,-0.2 -87,-0.1 -88,-0.1 0.833 360.0 360.0 -53.4 -37.4 12.2 -12.0 -15.7 96 96 A a 0 0 66 -3,-0.4 -88,-1.0 -90,-0.1 -87,-0.2 -0.362 360.0 360.0 -95.8 360.0 9.6 -14.1 -13.9