==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-98 4BU4 . COMPND 2 MOLECULE: PROTEIN (RIBONUCLEASE T1); . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ORYZAE; . AUTHOR R.LORIS,S.DEVOS,U.LANGHORST,K.DECANNIERE,J.BOUCKAERT,D.MAES, . 104 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 57.7 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 . 26 25.0 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 . 2 1.9 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-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 . 6 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 0 0 0 0 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 . 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 150 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 154.1 14.5 18.0 30.0 2 2 A a - 0 0 45 1,-0.1 10,-0.2 10,-0.1 3,-0.2 -0.605 360.0-154.3 -86.7 145.0 13.1 16.3 26.9 3 3 A D S S+ 0 0 84 8,-2.2 2,-0.3 1,-0.4 9,-0.2 0.804 93.4 16.0 -82.5 -31.4 13.7 17.6 23.4 4 4 A Y E S-A 11 0A 59 7,-2.0 7,-2.9 -3,-0.1 2,-0.5 -0.995 70.9-161.8-139.8 132.8 10.4 15.8 22.4 5 5 A T E -A 10 0A 45 99,-2.3 99,-2.1 -2,-0.3 2,-0.8 -0.977 4.5-173.9-120.7 115.4 7.8 14.5 24.7 6 6 A b E > -A 9 0A 0 3,-2.5 3,-2.3 -2,-0.5 2,-0.6 -0.842 68.1 -61.0-108.5 92.0 5.3 12.0 23.3 7 7 A G T 3 S- 0 0 45 -2,-0.8 97,-0.1 1,-0.3 84,-0.0 -0.608 121.7 -18.3 68.8-115.3 2.8 11.5 26.1 8 8 A S T 3 S+ 0 0 119 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.3 0.509 115.8 105.1-100.5 -5.0 5.0 10.1 28.9 9 9 A N E < -A 6 0A 42 -3,-2.3 -3,-2.5 1,-0.0 2,-0.5 -0.597 57.0-155.3 -80.6 131.7 7.9 9.2 26.6 10 10 A a E -A 5 0A 71 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.931 13.0-177.4-112.0 119.4 10.9 11.5 26.7 11 11 A Y E -A 4 0A 6 -7,-2.9 -8,-2.2 -2,-0.5 -7,-2.0 -0.905 13.9-151.6-120.3 143.6 13.3 11.7 23.8 12 12 A S > - 0 0 32 -2,-0.4 4,-1.8 -10,-0.2 3,-0.2 -0.588 38.0-103.9 -98.5 168.6 16.5 13.7 23.3 13 13 A S H > S+ 0 0 63 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.872 123.1 58.3 -60.9 -35.5 17.7 14.9 19.9 14 14 A S H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.886 103.4 51.4 -62.6 -38.5 20.2 12.0 20.0 15 15 A D H > S+ 0 0 61 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 112.4 47.5 -62.0 -46.3 17.5 9.4 20.3 16 16 A V H X S+ 0 0 3 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.955 111.4 47.4 -61.4 -52.3 15.6 10.9 17.3 17 17 A S H X S+ 0 0 68 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.856 111.3 52.6 -62.2 -33.4 18.7 11.1 15.0 18 18 A T H X S+ 0 0 80 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.938 113.2 43.6 -66.7 -43.3 19.6 7.5 15.9 19 19 A A H X S+ 0 0 7 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.940 114.2 50.9 -66.6 -44.5 16.1 6.3 15.0 20 20 A Q H X S+ 0 0 17 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.900 106.8 53.3 -59.7 -45.3 16.0 8.4 11.9 21 21 A A H X S+ 0 0 54 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.904 109.8 47.6 -58.7 -46.3 19.3 7.1 10.6 22 22 A A H X S+ 0 0 26 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.946 114.9 46.9 -61.1 -45.9 18.2 3.5 10.9 23 23 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.920 111.8 49.3 -62.8 -45.3 14.9 4.2 9.2 24 24 A Y H X S+ 0 0 40 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.879 107.6 55.4 -63.2 -38.3 16.5 6.2 6.4 25 25 A K H X S+ 0 0 116 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.927 109.3 46.0 -59.6 -49.3 19.1 3.5 5.7 26 26 A L H X>S+ 0 0 27 -4,-1.9 5,-2.4 1,-0.2 4,-0.8 0.910 112.0 52.5 -59.2 -43.8 16.3 0.8 5.3 27 27 A H H ><5S+ 0 0 39 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.909 108.7 50.1 -57.7 -45.4 14.5 3.3 3.0 28 28 A E H 3<5S+ 0 0 121 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.857 113.5 45.3 -61.8 -37.9 17.6 3.8 0.9 29 29 A D H 3<5S- 0 0 77 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.485 110.1-119.7 -86.7 -4.5 18.0 -0.0 0.5 30 30 A G T <<5 + 0 0 68 -4,-0.8 2,-0.3 -3,-0.8 -3,-0.2 0.894 69.8 130.0 67.9 38.3 14.4 -0.7 -0.2 31 31 A E < - 0 0 115 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.3 -0.871 38.6-161.2-123.3 155.3 14.0 -3.0 2.8 32 32 A T - 0 0 78 -2,-0.3 2,-0.3 -3,-0.1 5,-0.1 -0.891 4.6-149.6-132.2 164.1 11.4 -3.0 5.5 33 33 A V B > +B 38 0B 34 5,-2.5 5,-2.7 -2,-0.3 37,-0.2 -0.984 53.7 15.8-136.4 145.5 11.0 -4.5 9.1 34 34 A G T > 5S- 0 0 34 -2,-0.3 3,-1.3 35,-0.3 38,-0.1 0.036 93.1 -67.6 83.9 169.8 8.0 -5.7 11.0 35 35 A S T 3 5S+ 0 0 124 1,-0.3 -1,-0.2 36,-0.2 37,-0.1 0.719 132.8 51.5 -66.5 -26.2 4.4 -6.7 10.1 36 36 A N T 3 5S- 0 0 94 -3,-0.2 -1,-0.3 4,-0.0 -2,-0.1 0.208 112.1-120.3 -95.2 8.8 3.6 -3.1 9.2 37 37 A S T < 5 - 0 0 56 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.927 38.6-130.1 51.5 67.3 6.6 -2.8 6.9 38 38 A Y B + 0 0 32 1,-0.1 3,-1.4 2,-0.1 -2,-0.0 0.889 42.8 161.0 58.3 44.2 0.1 13.4 6.4 45 45 A Y T 3 S+ 0 0 196 1,-0.3 -1,-0.1 2,-0.1 54,-0.0 0.763 72.1 65.0 -62.2 -25.8 -3.7 13.0 6.6 46 46 A E T 3 S- 0 0 59 1,-0.0 -1,-0.3 55,-0.0 -2,-0.1 0.712 104.4-133.7 -69.3 -24.0 -3.4 15.1 9.8 47 47 A G < - 0 0 55 -3,-1.4 -2,-0.1 1,-0.2 -3,-0.1 0.878 32.9-177.8 72.7 36.6 -2.1 18.0 7.8 48 48 A F - 0 0 34 1,-0.1 2,-1.4 53,-0.0 -1,-0.2 -0.400 33.7-119.8 -65.3 148.6 0.8 18.9 10.0 49 49 A D - 0 0 162 2,-0.0 2,-0.2 -2,-0.0 -1,-0.1 -0.638 39.3-175.0 -92.3 74.4 2.7 21.9 8.8 50 50 A F - 0 0 20 -2,-1.4 38,-0.1 1,-0.1 4,-0.1 -0.507 23.0-144.1 -71.3 138.5 6.1 20.3 8.3 51 51 A S S S+ 0 0 122 36,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.619 80.7 64.5 -79.7 -15.7 8.8 22.7 7.3 52 52 A V S S- 0 0 23 35,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.745 92.2-100.1-104.4 158.2 10.5 20.3 4.9 53 53 A S - 0 0 83 -2,-0.3 29,-0.3 1,-0.1 32,-0.1 -0.354 46.9 -89.7 -80.4 155.4 9.0 18.9 1.7 54 54 A S S S+ 0 0 79 27,-0.1 2,-0.2 -4,-0.1 -1,-0.1 -0.213 77.8 97.9 -78.4 178.0 7.4 15.5 1.2 55 55 A P - 0 0 47 0, 0.0 27,-0.7 0, 0.0 2,-0.3 0.541 65.1-164.5 -68.8 154.9 7.3 12.7 0.5 56 56 A Y E -CD 42 81C 24 -14,-0.6 -14,-2.7 25,-0.2 2,-0.3 -0.839 10.4-164.2-111.7 152.3 7.4 11.7 4.1 57 57 A Y E -CD 41 80C 23 23,-2.5 23,-2.1 -2,-0.3 2,-0.4 -0.961 10.0-142.9-133.2 147.4 8.2 8.3 5.7 58 58 A E E +CD 40 79C 14 -18,-2.7 -18,-1.5 -2,-0.3 21,-0.2 -0.905 17.0 176.9-117.5 145.4 7.6 7.1 9.2 59 59 A W E - D 0 78C 2 19,-2.1 19,-2.9 -2,-0.4 -36,-0.1 -0.994 35.0-104.2-143.3 137.2 9.7 4.9 11.4 60 60 A P E - D 0 77C 1 0, 0.0 8,-0.5 0, 0.0 2,-0.4 -0.304 24.4-159.5 -66.5 143.0 9.1 3.9 15.0 61 61 A I - 0 0 7 15,-1.6 15,-0.4 12,-0.3 2,-0.4 -0.987 17.3-144.9-120.1 130.8 11.1 5.4 17.8 62 62 A L > - 0 0 35 4,-0.6 3,-1.6 -2,-0.4 12,-0.1 -0.865 17.5-141.8-105.7 140.9 11.1 3.4 21.0 63 63 A S T 3 S+ 0 0 84 -2,-0.4 -53,-0.1 1,-0.3 -1,-0.1 0.682 100.2 70.6 -69.1 -16.1 11.1 4.5 24.7 64 64 A S T 3 S- 0 0 76 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.699 109.3-121.5 -71.7 -22.2 13.5 1.6 25.4 65 65 A G S < S+ 0 0 52 -3,-1.6 -2,-0.1 1,-0.4 2,-0.1 0.369 73.2 125.0 93.7 -4.0 16.2 3.4 23.6 66 66 A D - 0 0 114 1,-0.1 -4,-0.6 -5,-0.0 -1,-0.4 -0.414 68.0-108.2 -83.2 162.3 16.6 0.5 21.2 67 67 A V - 0 0 68 -2,-0.1 2,-0.1 -6,-0.1 -6,-0.1 -0.729 45.0 -98.2 -89.6 139.6 16.4 0.8 17.4 68 68 A Y + 0 0 8 -8,-0.5 3,-0.1 -2,-0.3 -1,-0.1 -0.407 51.3 160.3 -61.2 129.2 13.2 -0.8 16.0 69 69 A S - 0 0 108 1,-0.5 -35,-0.3 -2,-0.1 2,-0.2 0.280 60.1 -62.1-132.9 9.5 13.7 -4.3 14.6 70 70 A G S S+ 0 0 30 -37,-0.2 -1,-0.5 2,-0.1 2,-0.1 -0.639 90.3 72.3 130.8 170.8 10.2 -5.8 14.6 71 71 A G S S+ 0 0 59 -2,-0.2 -36,-0.2 -3,-0.1 -1,-0.1 -0.481 99.2 2.1 82.4-162.0 7.4 -6.6 16.9 72 72 A S - 0 0 104 1,-0.1 -2,-0.1 -2,-0.1 3,-0.1 -0.359 58.3-158.7 -63.9 129.4 5.3 -3.9 18.4 73 73 A P - 0 0 20 0, 0.0 3,-0.3 0, 0.0 -12,-0.3 0.456 29.6-138.6 -85.9 -3.2 6.3 -0.4 17.3 74 74 A G - 0 0 43 1,-0.2 -12,-0.1 -14,-0.1 17,-0.0 -0.283 37.7 -68.5 72.2-164.0 4.8 1.4 20.2 75 75 A A S S+ 0 0 26 -69,-0.1 17,-1.7 -3,-0.1 2,-0.3 0.572 102.4 88.9-104.1 -8.5 2.9 4.7 19.6 76 76 A D E + E 0 91C 2 -15,-0.4 -15,-1.6 -3,-0.3 2,-0.3 -0.708 47.9 179.4 -99.3 147.9 5.8 7.0 18.6 77 77 A R E -DE 60 90C 9 13,-2.8 13,-2.1 -2,-0.3 2,-0.4 -0.964 23.1-141.1-141.9 149.9 7.2 7.7 15.2 78 78 A V E -DE 59 89C 1 -19,-2.9 -19,-2.1 -2,-0.3 2,-0.5 -0.886 21.7-150.3-106.5 140.6 9.9 9.9 13.6 79 79 A V E +DE 58 88C 0 9,-2.7 8,-2.9 -2,-0.4 9,-1.5 -0.985 22.5 168.4-116.2 120.9 9.0 11.4 10.2 80 80 A F E -DE 57 86C 0 -23,-2.1 -23,-2.5 -2,-0.5 6,-0.2 -0.863 21.1-133.6-127.8 163.0 11.7 12.0 7.7 81 81 A N E > -D 56 0C 3 4,-1.8 3,-2.0 -2,-0.3 -25,-0.2 -0.450 40.6 -80.2-108.7-172.6 11.8 12.9 4.0 82 82 A E T 3 S+ 0 0 79 -27,-0.7 -26,-0.1 1,-0.3 -28,-0.1 0.759 128.6 51.7 -58.5 -28.1 13.7 11.8 0.8 83 83 A N T 3 S- 0 0 114 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.230 118.9-108.9 -94.5 14.2 16.7 13.9 1.8 84 84 A N < + 0 0 56 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.866 69.5 150.4 59.5 36.7 16.9 12.5 5.3 85 85 A Q - 0 0 83 -32,-0.1 -4,-1.8 -65,-0.0 2,-0.5 -0.832 51.8-114.1 -98.1 140.8 15.6 15.7 6.7 86 86 A L E +E 80 0C 54 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.644 33.2 176.9 -77.4 123.3 13.6 15.5 10.0 87 87 A A E - 0 0 14 -8,-2.9 -36,-0.4 -2,-0.5 2,-0.3 0.852 57.4 -60.4 -90.3 -46.1 10.0 16.6 9.5 88 88 A G E -E 79 0C 8 -9,-1.5 -9,-2.7 -38,-0.1 2,-0.5 -0.988 37.9-100.8 177.4 177.6 8.8 15.8 13.0 89 89 A V E +E 78 0C 2 -2,-0.3 14,-3.0 14,-0.2 2,-0.3 -0.997 44.1 177.8-123.9 122.0 8.2 13.4 15.8 90 90 A I E -EF 77 102C 0 -13,-2.1 -13,-2.8 -2,-0.5 2,-0.3 -0.830 10.8-161.6-125.7 167.4 4.6 12.3 16.2 91 91 A T E -EF 76 101C 2 10,-2.8 10,-2.1 -2,-0.3 -15,-0.2 -0.989 30.5-141.9-152.4 152.0 2.5 9.9 18.4 92 92 A H S > S+ 0 0 29 -17,-1.7 3,-1.9 -2,-0.3 2,-0.3 0.616 75.6 110.0 -81.5 -18.1 -0.8 8.0 18.6 93 93 A T T 3 S+ 0 0 61 1,-0.3 -86,-0.2 -18,-0.2 -2,-0.1 -0.447 88.2 9.1 -63.3 122.2 -0.8 8.9 22.4 94 94 A G T 3 S+ 0 0 79 1,-0.3 2,-0.4 -2,-0.3 -1,-0.3 0.600 109.3 103.2 83.8 8.7 -3.6 11.4 23.1 95 95 A A S < S- 0 0 21 -3,-1.9 -1,-0.3 4,-0.2 2,-0.1 -0.962 76.1-108.8-123.8 143.4 -5.1 11.0 19.6 96 96 A S S > S- 0 0 88 -2,-0.4 3,-2.0 4,-0.1 -3,-0.0 -0.434 75.1 -26.2 -73.6 144.2 -8.2 9.1 18.8 97 97 A G T 3 S- 0 0 76 1,-0.2 -2,-0.2 -2,-0.1 0, 0.0 -0.275 125.9 -24.7 58.0-133.6 -8.0 5.8 16.9 98 98 A N T 3 S+ 0 0 127 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.059 105.6 121.1-100.0 21.7 -5.0 5.6 14.6 99 99 A N < - 0 0 84 -3,-2.0 2,-0.3 -7,-0.1 -4,-0.2 -0.246 52.7-137.0 -74.7 174.5 -4.7 9.4 14.3 100 100 A F - 0 0 15 -6,-0.1 2,-0.3 -2,-0.0 -8,-0.2 -0.896 14.1-166.6-132.3 158.3 -1.5 11.2 15.4 101 101 A V E -F 91 0C 56 -10,-2.1 -10,-2.8 -2,-0.3 2,-0.2 -0.910 37.4 -97.4-136.1 157.0 -0.6 14.4 17.3 102 102 A E E -F 90 0C 97 -2,-0.3 -12,-0.3 -12,-0.2 2,-0.2 -0.495 33.6-115.6 -78.8 150.0 2.8 16.0 17.4 103 103 A b 0 0 12 -14,-3.0 -14,-0.2 -2,-0.2 -97,-0.2 -0.601 360.0 360.0 -81.4 146.3 5.2 15.4 20.2 104 104 A T 0 0 146 -99,-2.1 -99,-2.3 -2,-0.2 -1,-0.1 -0.303 360.0 360.0 -94.4 360.0 6.0 18.5 22.2