==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-98 2BU4 . 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) . 5630.0 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 . 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 . 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,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 149.0 5.7 18.0 -4.5 2 2 A a - 0 0 49 1,-0.1 10,-0.2 10,-0.1 3,-0.2 -0.681 360.0-158.3 -88.6 139.4 7.2 16.2 -1.5 3 3 A D S S+ 0 0 84 8,-2.0 2,-0.4 1,-0.3 9,-0.2 0.832 92.4 20.6 -79.5 -32.9 6.5 17.6 2.0 4 4 A Y E S-A 11 0A 60 7,-2.1 7,-2.5 -3,-0.1 2,-0.6 -0.996 70.9-163.5-137.9 128.4 9.7 15.7 3.1 5 5 A T E -A 10 0A 45 99,-3.1 99,-1.8 -2,-0.4 2,-0.8 -0.954 5.6-176.7-117.7 111.4 12.5 14.6 0.7 6 6 A b E > -A 9 0A 0 3,-2.3 3,-2.1 -2,-0.6 2,-0.7 -0.830 68.0 -60.9-107.4 92.2 14.9 11.9 2.2 7 7 A G T 3 S- 0 0 44 -2,-0.8 97,-0.1 1,-0.3 84,-0.0 -0.636 121.0 -19.3 70.1-113.1 17.5 11.4 -0.5 8 8 A S T 3 S+ 0 0 116 -2,-0.7 2,-0.4 -3,-0.1 -1,-0.3 0.374 115.4 106.5-106.3 0.4 15.4 10.2 -3.4 9 9 A N E < -A 6 0A 41 -3,-2.1 -3,-2.3 -7,-0.0 2,-0.5 -0.689 57.1-152.0 -86.2 133.6 12.4 9.1 -1.2 10 10 A a E +A 5 0A 72 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.909 15.7 179.3-110.3 124.0 9.3 11.3 -1.4 11 11 A Y E -A 4 0A 4 -7,-2.5 -7,-2.1 -2,-0.5 -8,-2.0 -0.945 13.9-153.1-126.7 144.5 6.9 11.7 1.6 12 12 A S > - 0 0 36 -2,-0.4 4,-1.7 -9,-0.2 3,-0.4 -0.599 39.1-100.4-103.2 171.6 3.7 13.6 2.2 13 13 A S H > S+ 0 0 62 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.878 123.8 55.9 -59.7 -38.0 2.4 14.8 5.5 14 14 A S H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.838 103.5 53.5 -64.3 -35.1 -0.1 11.9 5.5 15 15 A D H > S+ 0 0 60 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.909 112.6 45.7 -64.3 -43.6 2.8 9.4 5.1 16 16 A V H X S+ 0 0 3 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.920 112.6 46.6 -67.2 -47.5 4.5 10.9 8.2 17 17 A S H X S+ 0 0 67 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.866 112.9 52.4 -65.9 -31.6 1.5 11.1 10.5 18 18 A T H X S+ 0 0 80 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.934 113.8 41.6 -68.3 -45.1 0.6 7.5 9.5 19 19 A A H X S+ 0 0 7 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.916 115.4 51.8 -67.4 -43.0 4.0 6.2 10.4 20 20 A Q H X S+ 0 0 19 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.880 106.0 53.1 -60.9 -44.2 4.2 8.4 13.5 21 21 A A H X S+ 0 0 56 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.852 109.3 50.2 -61.7 -35.5 0.9 7.2 14.9 22 22 A A H X S+ 0 0 26 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.909 112.2 46.0 -69.9 -43.6 2.0 3.6 14.5 23 23 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.876 111.8 51.4 -67.3 -38.9 5.3 4.1 16.3 24 24 A Y H X S+ 0 0 41 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.867 105.9 55.3 -66.2 -38.5 3.6 6.1 19.1 25 25 A K H X S+ 0 0 118 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.940 110.2 45.6 -59.2 -48.7 1.1 3.4 19.7 26 26 A L H X>S+ 0 0 30 -4,-1.6 5,-2.6 1,-0.2 4,-0.6 0.882 112.0 52.4 -61.9 -39.9 3.9 0.8 20.2 27 27 A H H ><5S+ 0 0 42 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.908 108.9 50.2 -62.0 -44.9 5.7 3.2 22.5 28 28 A E H 3<5S+ 0 0 121 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.888 114.2 43.8 -59.7 -44.2 2.6 3.7 24.6 29 29 A D H 3<5S- 0 0 82 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.481 111.4-120.1 -82.8 -3.2 2.1 -0.0 25.0 30 30 A G T <<5 + 0 0 67 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.2 0.904 67.4 132.6 65.7 42.8 5.7 -0.7 25.7 31 31 A E < - 0 0 112 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.898 37.5-158.8-124.9 152.7 6.2 -3.0 22.7 32 32 A T - 0 0 82 -2,-0.3 2,-0.3 2,-0.0 5,-0.1 -0.879 2.2-153.8-129.0 162.3 8.9 -3.1 20.0 33 33 A V B > +B 38 0B 36 5,-2.4 5,-2.5 -2,-0.3 37,-0.2 -0.992 53.4 16.1-137.8 144.0 9.3 -4.5 16.4 34 34 A G T > 5S- 0 0 30 -2,-0.3 3,-0.8 35,-0.3 37,-0.1 -0.127 93.1 -70.0 87.8 174.3 12.3 -5.7 14.4 35 35 A S T 3 5S+ 0 0 119 35,-0.4 -1,-0.2 36,-0.3 36,-0.1 0.697 131.6 53.4 -78.1 -21.1 15.8 -6.5 15.4 36 36 A N T 3 5S- 0 0 92 -3,-0.2 -1,-0.2 4,-0.0 -2,-0.1 0.296 112.8-120.7 -94.2 6.5 16.7 -2.9 16.2 37 37 A S T < 5 - 0 0 54 -3,-0.8 -3,-0.2 1,-0.2 -2,-0.1 0.964 38.0-128.1 52.1 72.2 13.7 -2.7 18.6 38 38 A Y B + 0 0 35 1,-0.1 3,-0.7 2,-0.1 -2,-0.0 0.936 41.8 164.3 56.6 50.9 20.1 13.4 19.0 45 45 A Y T 3 S+ 0 0 191 1,-0.2 -1,-0.1 2,-0.1 54,-0.0 0.815 73.0 58.6 -64.5 -32.8 23.9 13.0 18.8 46 46 A E T 3 S- 0 0 57 1,-0.0 -1,-0.2 55,-0.0 -2,-0.1 0.695 107.0-130.2 -71.7 -19.5 23.8 15.2 15.7 47 47 A G < - 0 0 49 -3,-0.7 -2,-0.1 1,-0.1 -3,-0.1 0.887 32.3-175.2 73.3 42.4 22.2 18.0 17.6 48 48 A F - 0 0 33 1,-0.1 2,-1.3 53,-0.0 -1,-0.1 -0.366 31.9-119.7 -67.1 148.5 19.3 19.0 15.4 49 49 A D - 0 0 160 -2,-0.0 -1,-0.1 2,-0.0 -2,-0.0 -0.499 39.4-175.8 -90.1 66.0 17.3 22.1 16.6 50 50 A F - 0 0 27 -2,-1.3 38,-0.1 1,-0.1 37,-0.1 -0.328 25.3-140.5 -62.6 141.8 13.9 20.4 17.1 51 51 A S S S+ 0 0 118 36,-0.4 2,-0.2 35,-0.1 -1,-0.1 0.649 82.6 64.9 -78.7 -17.9 11.1 22.8 18.0 52 52 A V S S- 0 0 22 35,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.694 90.1-101.2-103.5 160.4 9.6 20.3 20.5 53 53 A S - 0 0 79 -2,-0.2 29,-0.3 1,-0.1 32,-0.1 -0.394 46.3 -73.9 -85.0 158.3 11.1 18.9 23.7 54 54 A S S S+ 0 0 83 27,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.215 80.9 84.3 -75.1 170.8 12.8 15.6 24.5 55 55 A P - 0 0 43 0, 0.0 27,-0.7 0, 0.0 2,-0.3 0.502 65.8-163.4 -71.7 153.9 12.8 12.7 25.0 56 56 A Y E -CD 42 81C 26 -14,-0.5 -14,-2.6 25,-0.2 2,-0.4 -0.809 9.4-166.1-108.9 149.9 12.8 11.7 21.3 57 57 A Y E -CD 41 80C 37 23,-2.4 23,-2.3 -2,-0.3 2,-0.4 -0.989 10.1-143.7-134.7 141.2 12.0 8.4 19.8 58 58 A E E +CD 40 79C 13 -18,-2.7 -18,-1.3 -2,-0.4 21,-0.2 -0.859 16.6 176.8-110.8 146.5 12.6 7.2 16.2 59 59 A W E - D 0 78C 3 19,-1.9 19,-3.1 -2,-0.4 -36,-0.1 -0.994 33.8-109.8-143.6 132.0 10.4 5.0 14.0 60 60 A P E - D 0 77C 1 0, 0.0 8,-0.5 0, 0.0 2,-0.4 -0.352 22.7-155.7 -69.5 143.6 11.2 4.0 10.4 61 61 A I - 0 0 6 15,-1.3 2,-0.4 12,-0.2 15,-0.4 -0.980 16.0-141.5-116.3 129.5 9.1 5.4 7.6 62 62 A L > - 0 0 37 4,-0.6 3,-1.6 -2,-0.4 12,-0.1 -0.824 14.4-145.2-101.0 138.0 9.0 3.3 4.4 63 63 A S T 3 S+ 0 0 81 -2,-0.4 -1,-0.1 1,-0.3 -53,-0.1 0.707 98.6 71.7 -68.0 -18.2 9.0 4.6 0.8 64 64 A S T 3 S- 0 0 76 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.708 110.3-120.4 -69.1 -20.7 6.7 1.6 -0.0 65 65 A G S < S+ 0 0 53 -3,-1.6 2,-0.1 1,-0.4 -2,-0.1 0.323 74.4 122.7 95.3 -8.1 3.9 3.4 1.8 66 66 A D - 0 0 116 1,-0.1 -4,-0.6 -5,-0.0 -1,-0.4 -0.484 69.2-108.9 -84.7 157.4 3.6 0.5 4.3 67 67 A V - 0 0 64 -2,-0.1 -6,-0.1 -6,-0.1 -1,-0.1 -0.717 45.2 -98.7 -85.7 134.5 3.9 0.8 8.0 68 68 A Y + 0 0 10 -8,-0.5 -1,-0.1 -2,-0.4 -34,-0.0 -0.299 48.7 166.0 -55.5 131.4 7.1 -0.8 9.4 69 69 A S - 0 0 107 -3,-0.0 -35,-0.3 -36,-0.0 -1,-0.1 0.316 65.5 -58.8-131.6 5.4 6.4 -4.3 10.8 70 70 A G S S+ 0 0 28 -37,-0.2 -35,-0.4 2,-0.1 -33,-0.1 0.284 96.3 95.7 142.2 -23.0 9.8 -5.9 11.2 71 71 A G S S- 0 0 56 1,-0.3 -36,-0.3 -37,-0.1 -3,-0.0 0.494 91.9 -27.0 -74.2-139.3 12.0 -6.2 8.1 72 72 A S - 0 0 103 1,-0.1 -1,-0.3 -38,-0.1 -2,-0.1 -0.616 56.1-145.8 -74.1 134.8 14.7 -3.9 7.0 73 73 A P - 0 0 19 0, 0.0 3,-0.3 0, 0.0 -12,-0.2 0.570 27.8-142.9 -80.4 -7.5 14.0 -0.4 8.3 74 74 A G - 0 0 44 1,-0.2 -12,-0.1 -14,-0.1 17,-0.0 -0.342 36.7 -71.1 74.3-162.2 15.4 1.5 5.3 75 75 A A S S+ 0 0 26 -14,-0.1 17,-1.7 -69,-0.1 2,-0.3 0.589 102.1 88.3-107.4 -10.9 17.3 4.7 5.9 76 76 A D E + E 0 91C 2 -15,-0.4 -15,-1.3 -3,-0.3 2,-0.3 -0.650 48.6 179.5 -96.8 147.9 14.4 7.1 6.9 77 77 A R E -DE 60 90C 9 13,-2.8 13,-2.5 -17,-0.3 2,-0.4 -0.983 23.5-139.6-143.7 150.3 12.9 7.8 10.3 78 78 A V E -DE 59 89C 0 -19,-3.1 -19,-1.9 -2,-0.3 2,-0.5 -0.898 22.1-148.9-106.5 135.4 10.2 9.9 11.8 79 79 A V E +DE 58 88C 0 9,-3.0 8,-3.4 -2,-0.4 9,-1.5 -0.955 23.5 167.9-110.5 121.7 11.2 11.4 15.2 80 80 A F E -DE 57 86C 0 -23,-2.3 -23,-2.4 -2,-0.5 6,-0.2 -0.876 20.8-135.3-128.1 160.8 8.4 12.0 17.7 81 81 A N E > -D 56 0C 3 4,-1.7 3,-1.7 -2,-0.3 -25,-0.2 -0.380 40.0 -81.2-106.4-170.6 8.3 12.9 21.5 82 82 A E T 3 S+ 0 0 75 -27,-0.7 -26,-0.1 -29,-0.3 -28,-0.1 0.783 128.2 51.3 -61.0 -31.1 6.5 11.8 24.6 83 83 A N T 3 S- 0 0 117 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.166 120.0-108.0 -93.0 17.6 3.4 14.0 23.7 84 84 A N < + 0 0 57 -3,-1.7 2,-0.4 1,-0.2 -2,-0.1 0.876 69.7 149.9 57.2 40.2 3.3 12.5 20.2 85 85 A Q - 0 0 86 -32,-0.1 -4,-1.7 -65,-0.0 2,-0.3 -0.878 51.7-114.6-102.9 135.6 4.5 15.7 18.6 86 86 A L E +E 80 0C 51 -2,-0.4 -6,-0.3 -6,-0.2 -35,-0.1 -0.557 31.6 178.3 -72.1 126.9 6.6 15.5 15.5 87 87 A A E - 0 0 16 -8,-3.4 -36,-0.4 1,-0.4 2,-0.3 0.797 57.9 -62.9 -94.0 -40.9 10.2 16.6 16.0 88 88 A G E -E 79 0C 11 -9,-1.5 -9,-3.0 -38,-0.1 2,-0.5 -0.953 39.2 -97.6 169.3 172.1 11.3 15.9 12.4 89 89 A V E +E 78 0C 5 -2,-0.3 14,-2.6 14,-0.2 2,-0.3 -0.974 44.7 178.7-115.8 126.2 12.0 13.4 9.6 90 90 A I E -EF 77 102C 0 -13,-2.5 -13,-2.8 -2,-0.5 2,-0.3 -0.824 10.8-162.7-127.1 169.3 15.6 12.2 9.3 91 91 A T E -EF 76 101C 2 10,-2.5 10,-1.7 -2,-0.3 -15,-0.2 -1.000 30.5-142.8-155.0 151.3 17.7 9.9 7.1 92 92 A H S > S+ 0 0 50 -17,-1.7 3,-2.0 -2,-0.3 2,-0.2 0.629 75.2 109.4 -81.3 -18.9 21.0 8.0 6.9 93 93 A T T 3 S+ 0 0 61 1,-0.3 -86,-0.2 -18,-0.2 -2,-0.1 -0.433 88.3 10.4 -63.2 126.3 21.0 8.8 3.1 94 94 A G T 3 S+ 0 0 81 1,-0.3 2,-0.4 -2,-0.2 -1,-0.3 0.568 108.8 107.2 81.0 7.3 23.7 11.3 2.3 95 95 A A S < S- 0 0 21 -3,-2.0 -1,-0.3 4,-0.2 6,-0.1 -0.957 75.6-109.7-120.1 138.8 25.2 11.0 5.8 96 96 A S S > S- 0 0 94 -2,-0.4 3,-2.1 4,-0.1 -3,-0.0 -0.365 76.3 -28.8 -67.5 142.5 28.5 9.2 6.5 97 97 A G T 3 S- 0 0 73 1,-0.2 -2,-0.2 -2,-0.1 0, 0.0 -0.221 126.0 -23.6 54.8-130.6 28.3 5.9 8.4 98 98 A N T 3 S+ 0 0 134 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.041 105.1 121.4-102.1 23.8 25.3 5.7 10.7 99 99 A N < - 0 0 73 -3,-2.1 2,-0.3 -7,-0.2 -4,-0.2 -0.208 52.4-132.6 -77.6 175.9 24.8 9.4 11.1 100 100 A F - 0 0 18 -6,-0.1 2,-0.3 -10,-0.0 -8,-0.2 -0.910 16.6-171.5-131.6 157.9 21.7 11.3 10.1 101 101 A V E -F 91 0C 58 -10,-1.7 -10,-2.5 -2,-0.3 -8,-0.1 -0.934 37.7 -98.1-140.7 154.1 20.8 14.5 8.2 102 102 A E E -F 90 0C 102 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.404 33.7-113.9 -76.2 153.8 17.3 16.0 8.1 103 103 A b 0 0 12 -14,-2.6 -14,-0.2 -97,-0.1 -97,-0.2 -0.749 360.0 360.0 -87.2 135.3 14.9 15.4 5.2 104 104 A T 0 0 146 -99,-1.8 -99,-3.1 -2,-0.4 -1,-0.1 -0.248 360.0 360.0 -82.2 360.0 14.3 18.6 3.2