==== 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 12-NOV-99 1DE3 . COMPND 2 MOLECULE: RIBONUCLEASE ALPHA-SARCIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS GIGANTEUS; . AUTHOR J.M.PEREZ-CANADILLAS,R.CAMPOS-OLIVAS,J.SANTORO,J.LACADENA, . 150 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 55.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0.7 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 . 28 18.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 0 0 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 125 0, 0.0 2,-0.2 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 -92.2 3.2 -7.9 -18.6 2 2 A V - 0 0 37 148,-0.0 25,-1.8 1,-0.0 2,-0.6 -0.592 360.0-145.2 -94.0 151.1 3.3 -9.7 -15.3 3 3 A T E -A 26 0A 64 -2,-0.2 2,-0.9 23,-0.2 23,-0.2 -0.898 8.6-164.7-122.4 92.5 0.1 -10.7 -13.4 4 4 A W E -A 25 0A 15 21,-2.3 21,-2.7 -2,-0.6 2,-0.4 -0.744 16.5-174.0 -81.0 105.6 0.5 -10.5 -9.6 5 5 A T E -AB 24 149A 40 144,-2.2 144,-2.1 -2,-0.9 2,-0.3 -0.861 5.5-172.7-110.9 136.0 -2.4 -12.5 -8.3 6 6 A a E -A 23 0A 5 17,-2.2 17,-2.7 -2,-0.4 2,-0.6 -0.910 21.2-134.7-123.8 158.8 -3.4 -12.8 -4.6 7 7 A L E +A 22 0A 72 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.907 29.9 176.5-121.5 90.6 -5.9 -14.9 -2.7 8 8 A N E -A 21 0A 0 13,-1.3 13,-2.1 -2,-0.6 2,-0.7 -0.831 30.4-124.5 -96.4 146.1 -7.8 -12.8 -0.1 9 9 A D E -Ac 20 139A 38 129,-1.9 131,-0.9 -2,-0.4 2,-0.5 -0.810 27.3-164.4 -95.2 108.3 -10.7 -14.1 2.1 10 10 A Q E -A 19 0A 68 9,-3.3 9,-2.8 -2,-0.7 2,-1.6 -0.906 16.7-140.9 -98.7 123.2 -13.8 -11.9 1.5 11 11 A K E -A 18 0A 103 -2,-0.5 7,-0.3 7,-0.3 5,-0.1 -0.673 23.0-150.5 -85.1 82.2 -16.6 -12.2 4.1 12 12 A N E >> -A 17 0A 56 5,-2.0 5,-0.8 -2,-1.6 4,-0.5 -0.406 4.6-151.8 -54.6 123.3 -19.5 -12.0 1.6 13 13 A P T 45S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.833 93.1 59.6 -71.7 -26.8 -22.4 -10.3 3.5 14 14 A K T 45S+ 0 0 191 1,-0.2 -2,-0.0 3,-0.1 -3,-0.0 0.935 122.5 22.5 -64.2 -47.9 -25.0 -12.2 1.3 15 15 A T T 45S- 0 0 75 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.382 96.8-137.8 -98.3 -2.5 -23.7 -15.6 2.4 16 16 A N T <5 + 0 0 127 -4,-0.5 2,-0.3 1,-0.2 -2,-0.1 0.714 68.0 118.8 44.8 29.0 -22.1 -14.2 5.7 17 17 A K E > -A 3 0A 46 -2,-0.4 4,-1.8 75,-0.3 3,-0.7 -0.796 9.9-149.8 -93.7 116.6 -1.2 -6.0 -13.3 27 27 A Q H 3> S+ 0 0 40 -25,-1.8 4,-2.9 -2,-0.7 5,-0.4 0.877 98.0 64.8 -47.1 -48.3 2.5 -5.2 -12.3 28 28 A N H 3> S+ 0 0 70 -26,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.918 106.5 43.7 -43.4 -41.1 2.5 -2.5 -15.0 29 29 A K H <> S+ 0 0 68 -3,-0.7 4,-3.7 2,-0.2 -1,-0.2 0.879 116.0 46.1 -73.3 -41.3 -0.2 -0.8 -12.9 30 30 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.996 116.1 44.0 -63.2 -57.2 1.7 -1.4 -9.6 31 31 A E H < S+ 0 0 63 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.601 119.7 47.3 -60.1 -19.5 5.1 -0.3 -11.0 32 32 A S H < S+ 0 0 45 -4,-0.8 -2,-0.2 -5,-0.4 -1,-0.2 0.884 110.3 47.5 -88.2 -49.0 3.1 2.6 -12.6 33 33 A N H >X S+ 0 0 2 -4,-3.7 4,-2.1 1,-0.2 3,-1.3 0.912 114.3 49.1 -57.1 -43.5 1.1 3.7 -9.5 34 34 A S T 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.903 105.9 58.0 -66.7 -27.1 4.3 3.6 -7.5 35 35 A H T 34 S+ 0 0 101 -4,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 0.134 110.8 43.9 -92.0 25.9 5.9 5.7 -10.3 36 36 A H T <4 S+ 0 0 131 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.2 0.574 95.2 80.9-131.0 -44.8 3.3 8.4 -9.7 37 37 A A S < S- 0 0 4 -4,-2.1 2,-0.1 1,-0.1 60,-0.0 -0.332 87.7-103.8 -66.0 145.9 3.1 8.7 -5.9 38 38 A P - 0 0 56 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 -0.387 30.0-113.5 -72.9 148.0 5.7 10.8 -4.1 39 39 A L S S+ 0 0 45 -2,-0.1 2,-0.3 2,-0.1 11,-0.0 -0.669 73.1 114.6 -87.0 86.8 8.5 9.0 -2.2 40 40 A S > - 0 0 15 -2,-1.4 3,-0.6 9,-0.2 2,-0.5 -0.872 65.3-123.5-161.8 117.3 7.7 10.0 1.4 41 41 A D T 3 S- 0 0 21 44,-0.9 9,-0.3 45,-0.7 7,-0.1 -0.559 92.5 -17.5 -66.1 119.5 6.6 7.9 4.3 42 42 A G T 3 S+ 0 0 29 7,-1.0 -1,-0.2 5,-0.5 6,-0.2 0.970 99.8 119.2 45.3 72.0 3.3 9.3 5.6 43 43 A K < + 0 0 123 4,-1.4 2,-0.3 -3,-0.6 5,-0.1 0.058 54.6 72.4-150.9 29.1 3.5 12.7 4.0 44 44 A T S > S- 0 0 27 3,-0.3 3,-1.2 1,-0.1 65,-0.2 -0.812 93.2 -86.7-140.2 174.2 0.4 12.8 1.7 45 45 A G T 3 S+ 0 0 17 1,-0.3 64,-0.3 -2,-0.3 66,-0.2 0.963 130.5 29.4 -49.8 -67.6 -3.4 13.1 2.0 46 46 A S T 3 S- 0 0 6 62,-1.8 2,-0.8 2,-0.2 -1,-0.3 0.310 115.2-116.1 -71.4 -0.8 -4.2 9.4 2.5 47 47 A S < + 0 0 45 -3,-1.2 -4,-1.4 61,-0.3 -5,-0.5 -0.288 63.4 166.2 88.6 -36.6 -0.7 9.2 4.1 48 48 A Y + 0 0 22 -2,-0.8 -1,-0.3 -6,-0.2 -2,-0.2 -0.117 47.9 53.2 -57.8 143.3 0.3 6.9 1.3 49 49 A P S S+ 0 0 0 0, 0.0 -7,-1.0 0, 0.0 2,-0.3 0.359 84.1 179.7 -78.1 124.5 2.9 5.8 0.2 50 50 A H E -D 96 0B 49 46,-0.9 46,-3.0 -9,-0.3 -9,-0.1 -0.741 36.0 -93.0 -92.3 148.5 3.4 4.8 3.8 51 51 A W E -D 95 0B 30 -2,-0.3 2,-0.9 44,-0.2 44,-0.3 -0.413 34.3-133.1 -59.2 137.2 6.5 2.9 5.0 52 52 A F - 0 0 9 42,-3.5 42,-0.3 1,-0.2 4,-0.2 -0.862 8.2-159.0-100.9 99.6 6.2 -0.8 4.9 53 53 A T > - 0 0 61 -2,-0.9 3,-2.1 1,-0.1 5,-0.2 0.853 15.5-161.0 -41.9 -36.8 7.5 -2.1 8.2 54 54 A N T 3 S- 0 0 2 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.843 75.7 -53.5 52.8 29.7 7.8 -5.4 6.3 55 55 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.3 13,-0.2 -2,-0.1 0.041 119.8 118.4 92.1 -31.3 7.9 -6.9 9.8 56 56 A Y < - 0 0 13 -3,-2.1 -1,-0.3 6,-0.2 6,-0.2 -0.127 67.1-135.2 -59.6 162.4 10.8 -4.5 10.8 57 57 A D - 0 0 111 4,-2.3 5,-0.1 -3,-0.1 -1,-0.1 0.591 66.0 -78.1 -91.4 -18.3 10.4 -2.0 13.6 58 58 A G S S+ 0 0 16 3,-0.4 4,-0.1 -5,-0.2 -5,-0.0 0.612 123.9 53.3 120.4 34.4 12.0 0.8 11.5 59 59 A D S S- 0 0 94 2,-0.3 3,-0.1 22,-0.1 -3,-0.0 0.316 119.1 -78.5-153.8 -46.3 15.7 -0.0 11.8 60 60 A G S S+ 0 0 20 1,-0.6 2,-0.2 19,-0.2 21,-0.1 0.019 98.0 97.5 156.2 -31.0 16.3 -3.7 10.7 61 61 A K - 0 0 160 -5,-0.0 -4,-2.3 18,-0.0 -1,-0.6 -0.492 63.4-137.3 -79.6 152.3 15.2 -5.7 13.7 62 62 A L - 0 0 28 -6,-0.2 -6,-0.2 1,-0.2 4,-0.2 -0.803 13.6-120.9-112.4 150.6 11.7 -7.2 13.9 63 63 A P - 0 0 69 0, 0.0 2,-0.5 0, 0.0 3,-0.2 0.163 66.4 -34.1 -71.6-163.4 9.3 -7.4 16.9 64 64 A K S S+ 0 0 214 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.466 133.6 22.5 -63.3 109.4 7.8 -10.5 18.5 65 65 A G S S- 0 0 54 -2,-0.5 2,-0.3 -3,-0.2 -1,-0.2 0.918 84.9-141.5 92.0 70.3 7.4 -13.0 15.6 66 66 A R + 0 0 180 -4,-0.2 -1,-0.1 -3,-0.2 -11,-0.1 -0.427 36.2 157.1 -62.9 112.1 9.8 -11.9 12.9 67 67 A T + 0 0 95 -2,-0.3 2,-0.4 -12,-0.0 -1,-0.1 -0.433 11.5 176.1-137.6 60.2 7.9 -12.4 9.6 68 68 A P - 0 0 41 0, 0.0 2,-0.4 0, 0.0 -13,-0.2 -0.588 41.3-111.8 -74.3 119.6 9.5 -10.1 6.9 69 69 A I - 0 0 25 -2,-0.4 2,-0.7 1,-0.1 77,-0.1 -0.440 31.6-141.5 -52.5 113.2 8.0 -10.8 3.5 70 70 A K + 0 0 169 -2,-0.4 -1,-0.1 1,-0.2 77,-0.1 -0.748 29.6 170.5 -86.8 112.5 10.8 -12.3 1.6 71 71 A F - 0 0 38 -2,-0.7 -1,-0.2 2,-0.2 3,-0.1 0.752 55.6-106.1 -87.6 -34.9 10.7 -11.0 -2.0 72 72 A G S S+ 0 0 66 1,-0.4 2,-0.3 2,-0.0 -2,-0.1 0.488 82.3 114.2 109.8 18.9 14.1 -12.5 -3.0 73 73 A K > - 0 0 101 1,-0.1 4,-0.5 5,-0.0 -1,-0.4 -0.773 61.8-143.1-113.1 160.1 16.1 -9.2 -3.1 74 74 A S T 4 S+ 0 0 94 -2,-0.3 4,-0.2 2,-0.2 -1,-0.1 0.856 105.2 44.4 -90.7 -31.7 18.9 -8.0 -0.9 75 75 A D T 4 S+ 0 0 68 2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.851 113.5 49.9 -79.6 -37.5 17.7 -4.4 -0.8 76 76 A b T 4 S+ 0 0 1 1,-0.2 -1,-0.2 49,-0.1 -2,-0.2 0.805 118.2 40.4 -69.4 -31.6 14.1 -5.4 -0.2 77 77 A D S < S+ 0 0 83 -4,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.457 98.6 107.1 -87.0 -16.4 15.3 -7.6 2.7 78 78 A R S S- 0 0 130 -4,-0.2 16,-0.1 1,-0.1 -3,-0.1 -0.175 91.2 -79.1 -58.9 160.4 17.8 -4.9 3.7 79 79 A P - 0 0 50 0, 0.0 2,-1.2 0, 0.0 -19,-0.2 -0.584 43.0-133.7 -67.3 115.0 17.3 -2.8 6.9 80 80 A P - 0 0 2 0, 0.0 2,-2.7 0, 0.0 13,-0.3 -0.633 14.0-152.4 -76.0 94.0 14.7 -0.1 6.1 81 81 A K - 0 0 104 -2,-1.2 2,-0.5 11,-0.4 12,-0.2 -0.452 23.4-179.6 -70.0 67.8 16.4 2.9 7.6 82 82 A H - 0 0 38 -2,-2.7 12,-0.0 10,-0.1 -25,-0.0 -0.640 3.6-171.9 -79.5 117.7 13.1 4.6 8.2 83 83 A S - 0 0 70 -2,-0.5 3,-0.3 -24,-0.0 -1,-0.1 0.164 50.0 -57.6 -85.9-149.8 13.6 8.0 9.8 84 84 A K S S+ 0 0 184 1,-0.2 4,-0.1 3,-0.1 -2,-0.0 0.993 139.5 7.6 -59.2 -65.8 10.9 10.4 11.2 85 85 A D S S- 0 0 61 2,-0.2 -44,-0.9 -42,-0.0 -1,-0.2 -0.018 110.6-106.9-102.8 24.6 8.9 10.8 8.0 86 86 A G S S+ 0 0 0 -3,-0.3 -45,-0.7 -46,-0.2 7,-0.2 0.916 95.0 106.7 48.3 46.8 11.0 8.1 6.3 87 87 A N + 0 0 57 -47,-0.1 -2,-0.2 5,-0.0 -1,-0.1 -0.602 35.4 137.7-156.0 76.1 12.7 10.9 4.3 88 88 A G S S- 0 0 51 -2,-0.1 -6,-0.0 -4,-0.1 0, 0.0 0.303 75.4 -64.0 -88.5-124.6 16.3 11.7 5.4 89 89 A K S S- 0 0 201 1,-0.0 0, 0.0 -2,-0.0 0, 0.0 0.774 126.8 -7.4-100.4 -35.0 19.2 12.3 3.1 90 90 A T S S+ 0 0 83 36,-0.0 36,-0.1 37,-0.0 -3,-0.0 -0.142 82.5 175.6-154.8 32.4 19.3 8.8 1.4 91 91 A D - 0 0 9 1,-0.1 -9,-0.1 -11,-0.1 2,-0.0 -0.193 14.8-161.9 -46.4 133.8 16.7 6.8 3.5 92 92 A H + 0 0 57 -11,-0.2 -11,-0.4 -13,-0.2 2,-0.3 -0.531 30.0 151.9-123.0 64.4 16.3 3.3 1.9 93 93 A Y - 0 0 1 -13,-0.3 2,-0.5 -12,-0.2 -40,-0.1 -0.702 49.8-113.5 -95.5 148.6 13.0 2.2 3.4 94 94 A L - 0 0 5 -42,-0.3 -42,-3.5 -2,-0.3 2,-0.2 -0.705 36.1-155.7 -83.4 114.8 10.5 -0.3 1.9 95 95 A L E -DE 51 124B 0 29,-2.4 29,-1.3 -2,-0.5 2,-0.4 -0.662 7.3-151.3 -91.3 155.4 7.3 1.6 1.0 96 96 A E E -DE 50 123B 3 -46,-3.0 -46,-0.9 -2,-0.2 27,-0.2 -0.839 12.9-174.5-131.9 97.4 3.8 0.1 0.6 97 97 A F E - E 0 122B 0 25,-1.6 25,-2.5 -2,-0.4 2,-1.3 -0.749 33.5-115.6 -91.4 136.6 1.4 1.8 -1.7 98 98 A P - 0 0 0 0, 0.0 8,-0.3 0, 0.0 2,-0.2 -0.568 39.8-162.3 -72.5 89.4 -2.2 0.6 -2.0 99 99 A T - 0 0 0 -2,-1.3 -69,-0.1 21,-0.4 6,-0.1 -0.583 3.8-142.5 -77.2 142.7 -2.2 -0.6 -5.6 100 100 A F - 0 0 20 4,-0.5 -74,-0.2 -2,-0.2 3,-0.2 -0.828 11.5-141.3-108.9 148.3 -5.6 -1.1 -7.3 101 101 A P S S+ 0 0 64 0, 0.0 -75,-0.3 0, 0.0 -1,-0.1 0.944 101.1 64.3 -74.7 -42.1 -6.5 -3.9 -9.9 102 102 A D S S- 0 0 146 1,-0.1 3,-0.1 -77,-0.1 -77,-0.0 0.730 112.7-122.2 -45.4 -33.5 -8.6 -1.5 -12.1 103 103 A G + 0 0 25 1,-0.3 2,-0.2 -3,-0.2 -1,-0.1 0.563 64.5 138.9 93.6 16.0 -5.3 0.2 -12.7 104 104 A H - 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