==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENDORIBONUCLEASE 11-SEP-98 1BU4 . COMPND 2 MOLECULE: 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) . 5571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 56.7 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 . 5 4.8 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 0 153 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 149.7 5.7 5.8 29.9 2 2 A a - 0 0 47 1,-0.2 10,-0.2 10,-0.1 3,-0.2 -0.717 360.0-155.3 -84.1 139.3 7.2 7.7 26.9 3 3 A D S S+ 0 0 84 8,-1.7 2,-0.4 -2,-0.3 9,-0.2 0.865 92.0 17.1 -74.0 -41.2 6.5 6.5 23.4 4 4 A Y E S-A 11 0A 59 7,-2.3 7,-2.8 -3,-0.1 2,-0.5 -0.998 71.4-160.4-129.8 133.7 9.8 8.2 22.3 5 5 A T E -A 10 0A 50 99,-2.6 99,-2.2 -2,-0.4 2,-0.8 -0.979 6.6-175.7-117.1 113.4 12.5 9.4 24.7 6 6 A b E > -A 9 0A 1 3,-2.8 3,-2.3 -2,-0.5 2,-0.7 -0.843 68.1 -60.4-108.1 91.3 14.9 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 -0.629 121.0 -22.0 68.8-117.2 17.6 12.5 26.0 8 8 A S T 3 S+ 0 0 116 -2,-0.7 2,-0.4 -3,-0.1 -1,-0.3 0.399 115.9 105.7-104.8 1.7 15.3 13.7 28.8 9 9 A N E < -A 6 0A 42 -3,-2.3 -3,-2.8 -7,-0.0 2,-0.5 -0.682 57.5-154.2 -84.5 135.4 12.4 14.9 26.6 10 10 A a E -A 5 0A 73 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.912 12.9-176.3-115.8 122.5 9.4 12.5 26.7 11 11 A Y E -A 4 0A 5 -7,-2.8 -7,-2.3 -2,-0.5 -8,-1.7 -0.938 13.3-151.1-120.4 143.4 7.0 12.3 23.8 12 12 A S > - 0 0 40 -2,-0.4 4,-1.8 -9,-0.2 3,-0.2 -0.613 38.6-102.8 -94.7 173.0 3.7 10.3 23.3 13 13 A S H > S+ 0 0 61 1,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.840 122.9 59.0 -60.3 -38.5 2.5 9.1 19.9 14 14 A S H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 102.4 50.4 -58.3 -45.5 0.0 12.0 20.0 15 15 A D H > S+ 0 0 58 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 112.4 48.5 -60.2 -44.0 2.8 14.6 20.3 16 16 A V H X S+ 0 0 2 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.935 111.1 48.7 -64.5 -47.5 4.5 13.0 17.3 17 17 A S H X S+ 0 0 71 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.910 112.1 49.6 -59.1 -44.4 1.3 12.9 15.1 18 18 A T H X S+ 0 0 82 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.945 113.7 44.6 -59.4 -50.4 0.6 16.5 15.9 19 19 A A H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.951 114.1 50.3 -61.6 -48.7 4.1 17.7 15.0 20 20 A Q H X S+ 0 0 17 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.872 106.7 54.4 -57.8 -41.6 4.2 15.6 11.9 21 21 A A H X S+ 0 0 58 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.907 109.9 46.9 -62.7 -40.2 0.8 16.9 10.6 22 22 A A H X S+ 0 0 27 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.916 114.5 46.8 -62.9 -45.2 2.0 20.5 10.9 23 23 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.919 112.2 49.9 -67.3 -42.2 5.3 19.8 9.2 24 24 A Y H X S+ 0 0 44 -4,-3.0 4,-2.9 -5,-0.2 -1,-0.2 0.887 107.0 54.9 -64.4 -38.6 3.7 17.8 6.4 25 25 A K H X S+ 0 0 86 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.950 110.2 45.6 -59.8 -47.0 1.1 20.6 5.7 26 26 A L H X>S+ 0 0 33 -4,-1.8 5,-2.3 1,-0.2 4,-0.7 0.877 112.0 52.9 -61.4 -42.0 3.8 23.2 5.2 27 27 A H H ><5S+ 0 0 40 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.932 108.7 49.0 -56.7 -51.7 5.7 20.7 3.0 28 28 A E H 3<5S+ 0 0 116 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.842 113.8 46.6 -56.7 -39.3 2.7 20.2 0.8 29 29 A D H 3<5S- 0 0 84 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.501 110.1-118.9 -84.0 -6.9 2.1 23.9 0.5 30 30 A G T <<5S+ 0 0 66 -3,-0.9 2,-0.3 -4,-0.7 -3,-0.2 0.811 70.5 127.3 74.3 28.7 5.8 24.8 -0.3 31 31 A E < - 0 0 112 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.3 -0.821 37.5-166.0-117.4 157.0 6.2 27.0 2.7 32 32 A T - 0 0 75 -2,-0.3 2,-0.3 -3,-0.1 5,-0.1 -0.900 5.2-152.1-134.9 167.6 8.8 27.1 5.5 33 33 A V B > +B 38 0B 46 5,-2.5 5,-2.6 -2,-0.3 37,-0.2 -0.989 52.5 27.3-143.2 149.8 9.3 28.6 9.0 34 34 A G T > 5S- 0 0 29 -2,-0.3 3,-1.5 35,-0.2 38,-0.1 0.071 92.1 -74.7 90.0 166.5 12.3 29.6 11.0 35 35 A S T 3 5S+ 0 0 119 1,-0.3 -1,-0.1 36,-0.2 37,-0.1 0.741 132.4 52.9 -73.5 -17.0 15.8 30.7 10.0 36 36 A N T 3 5S- 0 0 83 -3,-0.1 -1,-0.3 4,-0.0 -2,-0.1 0.298 112.8-121.2 -97.3 8.4 16.7 27.1 9.1 37 37 A S T < 5 - 0 0 55 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.943 37.7-129.9 51.7 68.0 13.6 26.8 6.9 38 38 A Y B + 0 0 35 1,-0.1 3,-1.1 2,-0.1 -2,-0.0 0.887 44.8 160.4 59.7 49.2 20.2 10.5 6.4 45 45 A Y T 3 S+ 0 0 193 1,-0.3 -1,-0.1 2,-0.1 54,-0.0 0.825 73.4 61.4 -64.8 -29.0 23.9 11.0 6.5 46 46 A E T 3 S- 0 0 57 1,-0.0 -1,-0.3 55,-0.0 -2,-0.1 0.703 106.8-132.4 -68.3 -26.9 23.7 9.0 9.7 47 47 A G < - 0 0 48 -3,-1.1 -2,-0.1 1,-0.2 -3,-0.1 0.872 31.5-175.9 74.3 43.1 22.3 6.0 7.7 48 48 A F - 0 0 36 1,-0.1 2,-1.3 53,-0.0 -1,-0.2 -0.382 31.9-121.8 -65.4 149.1 19.3 5.1 9.9 49 49 A D - 0 0 156 2,-0.0 -1,-0.1 -2,-0.0 2,-0.0 -0.494 39.6-174.6 -91.5 63.9 17.5 2.0 8.7 50 50 A F - 0 0 27 -2,-1.3 38,-0.1 1,-0.1 4,-0.1 -0.332 25.3-141.3 -63.7 140.8 14.1 3.6 8.2 51 51 A S S S+ 0 0 127 36,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.535 82.8 62.7 -75.4 -15.5 11.3 1.3 7.2 52 52 A V S S- 0 0 27 35,-0.1 2,-0.1 33,-0.1 -2,-0.0 -0.779 91.0 -99.6-110.3 162.8 9.7 3.8 4.8 53 53 A S - 0 0 77 -2,-0.3 29,-0.3 1,-0.1 32,-0.1 -0.428 44.2 -84.1 -89.2 155.6 11.2 5.2 1.7 54 54 A S S S+ 0 0 77 -2,-0.1 2,-0.1 27,-0.1 -1,-0.1 -0.211 80.5 91.9 -71.3 169.3 12.9 8.5 1.0 55 55 A P - 0 0 49 0, 0.0 27,-0.9 0, 0.0 2,-0.3 0.543 66.5-167.7 -73.7 155.2 12.8 11.2 0.3 56 56 A Y E -CD 42 81C 26 -14,-0.5 -14,-2.5 25,-0.2 2,-0.3 -0.848 10.3-165.5-112.5 150.6 12.7 12.2 4.0 57 57 A Y E -CD 41 80C 22 23,-2.9 23,-2.3 -2,-0.3 2,-0.3 -0.961 9.6-144.3-129.6 151.8 12.0 15.6 5.6 58 58 A E E +CD 40 79C 14 -18,-2.4 -18,-1.2 -2,-0.3 21,-0.2 -0.866 15.5 177.8-120.9 148.5 12.6 16.8 9.2 59 59 A W E - D 0 78C 2 19,-2.0 19,-3.0 -2,-0.3 -36,-0.1 -0.984 35.3-103.8-146.7 135.1 10.5 19.1 11.4 60 60 A P E - D 0 77C 1 0, 0.0 8,-0.5 0, 0.0 2,-0.4 -0.341 25.7-161.1 -64.1 141.8 11.1 20.2 15.0 61 61 A I - 0 0 8 15,-1.7 2,-0.4 12,-0.2 15,-0.4 -0.978 17.8-145.7-119.8 130.1 9.1 18.6 17.8 62 62 A L > - 0 0 37 4,-0.5 3,-1.6 -2,-0.4 12,-0.1 -0.859 17.5-139.3-108.7 142.7 9.2 20.6 21.0 63 63 A S T 3 S+ 0 0 80 -2,-0.4 -53,-0.1 1,-0.3 -1,-0.1 0.680 99.8 70.1 -71.8 -12.4 9.1 19.5 24.6 64 64 A S T 3 S- 0 0 78 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.694 108.8-120.3 -72.3 -22.9 6.7 22.3 25.5 65 65 A G S < S+ 0 0 52 -3,-1.6 2,-0.1 1,-0.4 -2,-0.1 0.301 74.5 122.9 99.6 -7.3 4.0 20.6 23.5 66 66 A D - 0 0 115 1,-0.1 -4,-0.5 -5,-0.0 -1,-0.4 -0.518 69.5-107.4 -83.1 158.3 3.5 23.5 21.2 67 67 A V - 0 0 64 -2,-0.1 -6,-0.1 1,-0.1 -1,-0.1 -0.637 44.7 -97.3 -82.3 142.2 3.9 23.2 17.4 68 68 A Y + 0 0 8 -8,-0.5 -1,-0.1 -2,-0.3 3,-0.1 -0.303 50.4 162.5 -58.7 130.1 7.1 24.8 16.0 69 69 A S - 0 0 104 1,-0.5 -35,-0.2 -2,-0.1 2,-0.2 0.231 60.2 -62.7-136.4 17.4 6.4 28.3 14.7 70 70 A G S S+ 0 0 28 -37,-0.2 -1,-0.5 1,-0.1 2,-0.1 -0.555 91.6 73.7 122.9 170.2 9.9 29.8 14.5 71 71 A G S S+ 0 0 58 -2,-0.2 -36,-0.2 -3,-0.1 -1,-0.1 -0.470 98.2 2.0 80.4-166.3 12.7 30.7 16.9 72 72 A S - 0 0 103 1,-0.1 -2,-0.1 -2,-0.1 -38,-0.0 -0.361 56.9-160.1 -62.8 127.7 14.9 27.9 18.4 73 73 A P - 0 0 21 0, 0.0 3,-0.3 0, 0.0 -12,-0.2 0.493 28.3-143.6 -83.9 -8.7 13.9 24.5 17.2 74 74 A G - 0 0 42 1,-0.2 -12,-0.1 -14,-0.1 18,-0.0 -0.212 38.0 -65.3 72.3-163.4 15.6 22.6 20.2 75 75 A A S S+ 0 0 26 -69,-0.1 17,-2.1 16,-0.1 2,-0.3 0.586 101.4 87.8 -99.1 -13.1 17.3 19.3 19.6 76 76 A D E - E 0 91C 2 -15,-0.4 -15,-1.7 -3,-0.3 2,-0.3 -0.729 47.6-180.0-103.1 145.2 14.5 17.0 18.6 77 77 A R E -DE 60 90C 8 13,-3.1 13,-2.3 -2,-0.3 2,-0.4 -0.980 23.8-142.2-137.1 154.2 13.0 16.2 15.2 78 78 A V E -DE 59 89C 0 -19,-3.0 -19,-2.0 -2,-0.3 2,-0.5 -0.873 21.6-152.7-108.5 138.1 10.3 14.1 13.5 79 79 A V E +DE 58 88C 0 9,-2.4 8,-3.0 -2,-0.4 9,-1.4 -0.984 21.6 168.7-112.8 122.2 11.3 12.7 10.1 80 80 A F E -DE 57 86C 0 -23,-2.3 -23,-2.9 -2,-0.5 6,-0.2 -0.845 20.9-133.7-129.6 164.1 8.4 12.0 7.7 81 81 A N E > -D 56 0C 2 4,-1.5 3,-2.1 -2,-0.3 -25,-0.2 -0.513 39.2 -81.1-110.3-170.2 8.3 11.1 4.0 82 82 A E T 3 S+ 0 0 78 -27,-0.9 -26,-0.1 -29,-0.3 -28,-0.1 0.743 127.7 51.8 -61.8 -28.3 6.5 12.2 0.9 83 83 A N T 3 S- 0 0 110 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.218 119.5-108.3 -91.4 8.0 3.5 10.0 1.7 84 84 A N < + 0 0 58 -3,-2.1 2,-0.4 1,-0.2 -2,-0.1 0.882 69.5 150.6 61.9 43.1 3.3 11.5 5.2 85 85 A Q - 0 0 82 -32,-0.1 -4,-1.5 -4,-0.0 2,-0.4 -0.870 50.9-118.1-103.4 136.4 4.6 8.2 6.7 86 86 A L E -E 80 0C 55 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.610 30.3-179.8 -72.2 127.0 6.6 8.6 10.0 87 87 A A E - 0 0 19 -8,-3.0 -36,-0.4 1,-0.4 2,-0.3 0.820 56.9 -59.1 -92.9 -42.3 10.1 7.4 9.5 88 88 A G E -E 79 0C 13 -9,-1.4 -9,-2.4 -38,-0.1 2,-0.5 -0.971 40.6-100.4 177.3-179.8 11.4 8.0 13.0 89 89 A V E +E 78 0C 5 -2,-0.3 14,-2.9 14,-0.2 2,-0.3 -0.982 44.3 178.0-127.2 121.2 12.0 10.5 15.8 90 90 A I E -EF 77 102C 0 -13,-2.3 -13,-3.1 -2,-0.5 2,-0.3 -0.845 11.0-162.3-126.7 166.2 15.6 11.7 16.2 91 91 A T E -EF 76 101C 2 10,-2.6 10,-2.3 -2,-0.3 -15,-0.2 -0.999 30.4-143.3-151.6 148.0 17.7 14.0 18.3 92 92 A H S > S+ 0 0 26 -17,-2.1 3,-1.6 -2,-0.3 2,-0.3 0.559 74.6 109.9 -77.3 -17.4 21.0 15.9 18.5 93 93 A T T 3 S+ 0 0 61 1,-0.3 -86,-0.2 -18,-0.2 8,-0.1 -0.496 88.0 10.3 -64.4 127.4 21.0 15.2 22.3 94 94 A G T 3 S+ 0 0 81 1,-0.3 2,-0.3 -2,-0.3 -1,-0.3 0.634 109.6 104.6 80.6 12.6 23.7 12.7 23.2 95 95 A A S < S- 0 0 22 -3,-1.6 -1,-0.3 4,-0.2 2,-0.1 -0.937 77.0-105.2-125.2 146.7 25.3 12.9 19.7 96 96 A S S > S- 0 0 90 -2,-0.3 3,-2.4 4,-0.1 -3,-0.0 -0.411 75.4 -30.7 -78.4 149.7 28.5 14.8 18.8 97 97 A G T 3 S- 0 0 72 1,-0.3 -2,-0.2 -2,-0.1 0, 0.0 -0.211 125.4 -23.5 52.4-128.5 28.3 18.1 16.9 98 98 A N T 3 S+ 0 0 129 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.032 105.6 120.0-102.2 22.8 25.3 18.3 14.6 99 99 A N < - 0 0 80 -3,-2.4 2,-0.3 -7,-0.1 -4,-0.2 -0.266 53.3-135.7 -75.7 175.5 24.9 14.6 14.3 100 100 A F - 0 0 17 -6,-0.1 2,-0.3 -2,-0.0 -8,-0.2 -0.939 14.1-166.3-129.1 157.7 21.7 12.8 15.3 101 101 A V E -F 91 0C 62 -10,-2.3 -10,-2.6 -2,-0.3 2,-0.1 -0.903 37.3 -93.5-134.3 163.8 20.8 9.6 17.2 102 102 A E E -F 90 0C 97 -2,-0.3 -12,-0.3 -12,-0.2 2,-0.2 -0.460 33.8-119.2 -79.7 145.9 17.4 7.8 17.4 103 103 A b 0 0 12 -14,-2.9 -14,-0.2 -2,-0.1 -97,-0.2 -0.595 360.0 360.0 -77.5 146.1 15.0 8.6 20.2 104 104 A T 0 0 144 -99,-2.2 -99,-2.6 -2,-0.2 -1,-0.1 -0.498 360.0 360.0-102.5 360.0 14.3 5.4 22.1