==== 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 15-SEP-98 5BU4 . 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) . 5604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 55.8 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 0 152 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 163.7 5.8 5.9 30.0 2 2 A a - 0 0 46 1,-0.2 10,-0.2 10,-0.1 3,-0.2 -0.766 360.0-150.9 -98.0 142.2 7.1 7.8 26.9 3 3 A D S S+ 0 0 87 8,-1.3 2,-0.4 -2,-0.4 9,-0.2 0.864 93.1 16.5 -68.5 -39.1 6.6 6.5 23.4 4 4 A Y E S-A 11 0A 59 7,-2.4 7,-2.7 100,-0.1 2,-0.5 -0.999 71.3-160.0-129.8 136.7 9.8 8.2 22.3 5 5 A T E -A 10 0A 49 -2,-0.4 99,-2.0 5,-0.2 2,-0.8 -0.967 7.4-177.1-116.8 119.4 12.5 9.4 24.7 6 6 A b E > -A 9 0A 1 3,-2.7 3,-2.2 -2,-0.5 2,-0.5 -0.827 67.2 -59.8-113.0 90.8 14.9 12.0 23.3 7 7 A G T 3 S- 0 0 47 -2,-0.8 97,-0.1 1,-0.3 84,-0.0 -0.621 120.7 -19.7 72.2-125.4 17.5 12.7 26.0 8 8 A S T 3 S+ 0 0 117 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.3 0.420 116.7 105.1 -92.7 -1.2 15.3 13.9 28.9 9 9 A N E < -A 6 0A 43 -3,-2.2 -3,-2.7 -7,-0.0 2,-0.5 -0.679 56.1-157.8 -90.0 130.6 12.4 14.9 26.6 10 10 A a E -A 5 0A 72 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.899 12.1-178.0-111.3 123.2 9.4 12.5 26.7 11 11 A Y E -A 4 0A 4 -7,-2.7 -7,-2.4 -2,-0.5 -8,-1.3 -0.961 14.2-148.8-121.9 140.6 7.0 12.3 23.8 12 12 A S > - 0 0 36 -2,-0.4 4,-1.6 -10,-0.2 3,-0.4 -0.573 38.1-100.8 -89.7 165.3 3.7 10.3 23.3 13 13 A S H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.818 123.9 55.5 -48.0 -41.5 2.5 9.1 19.9 14 14 A S H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.843 102.4 55.1 -68.3 -35.6 0.0 12.0 19.8 15 15 A D H > S+ 0 0 57 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.920 111.6 45.7 -55.3 -47.3 2.8 14.5 20.3 16 16 A V H X S+ 0 0 2 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.923 112.0 48.8 -66.8 -47.4 4.5 13.0 17.2 17 17 A S H X S+ 0 0 72 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.870 111.7 51.3 -61.4 -38.6 1.4 12.9 15.0 18 18 A T H X S+ 0 0 81 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.944 113.8 42.1 -64.0 -47.1 0.6 16.5 15.9 19 19 A A H X S+ 0 0 8 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.930 115.0 51.9 -64.9 -43.9 4.1 17.8 15.0 20 20 A Q H X S+ 0 0 17 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.893 106.7 52.9 -60.8 -46.1 4.2 15.6 11.9 21 21 A A H X S+ 0 0 56 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.910 110.0 47.8 -58.1 -46.6 0.8 16.9 10.7 22 22 A A H X S+ 0 0 27 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.906 114.4 46.5 -59.8 -40.6 2.0 20.6 11.0 23 23 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.900 110.6 51.3 -71.6 -40.1 5.2 19.9 9.1 24 24 A Y H X S+ 0 0 37 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.900 106.6 55.1 -65.1 -40.2 3.6 17.9 6.4 25 25 A K H X S+ 0 0 126 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.922 109.6 45.4 -59.1 -48.9 1.1 20.7 5.7 26 26 A L H X>S+ 0 0 39 -4,-1.7 5,-2.8 2,-0.2 4,-0.9 0.875 112.2 53.4 -58.7 -38.4 3.9 23.3 5.2 27 27 A H H ><5S+ 0 0 39 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.946 110.8 45.2 -65.7 -45.9 5.8 20.8 3.0 28 28 A E H 3<5S+ 0 0 115 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.866 113.8 50.3 -60.4 -41.3 2.7 20.3 0.8 29 29 A D H 3<5S- 0 0 88 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.563 110.0-122.6 -74.9 -10.2 2.1 24.0 0.7 30 30 A G T <<5 + 0 0 66 -4,-0.9 2,-0.3 -3,-0.7 -3,-0.2 0.871 69.3 130.7 69.2 35.4 5.7 24.7 -0.3 31 31 A E < - 0 0 114 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.3 -0.839 38.4-163.8-119.3 156.6 6.1 27.0 2.7 32 32 A T - 0 0 83 -2,-0.3 2,-0.3 -3,-0.1 5,-0.1 -0.911 4.1-155.9-135.4 167.9 8.8 27.1 5.5 33 33 A V B > +B 38 0B 29 5,-2.7 5,-2.5 -2,-0.3 37,-0.2 -0.992 51.6 27.4-141.8 147.7 9.2 28.6 9.0 34 34 A G T > 5S- 0 0 27 -2,-0.3 3,-1.5 35,-0.3 38,-0.1 0.063 91.6 -74.7 92.0 160.0 12.2 29.6 11.1 35 35 A S T 3 5S+ 0 0 126 1,-0.3 -1,-0.1 36,-0.2 37,-0.1 0.766 132.5 51.7 -63.1 -26.2 15.7 30.8 10.1 36 36 A N T 3 5S- 0 0 95 -3,-0.1 -1,-0.3 4,-0.0 -2,-0.1 0.324 113.1-120.2 -91.3 8.8 16.7 27.2 9.2 37 37 A S T < 5 - 0 0 54 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.944 38.3-131.2 54.3 64.8 13.6 26.9 6.9 38 38 A Y B + 0 0 34 1,-0.1 3,-1.2 2,-0.1 -2,-0.0 0.929 44.1 161.6 54.4 49.7 20.1 10.7 6.3 45 45 A Y T 3 S+ 0 0 196 1,-0.3 -1,-0.1 2,-0.1 54,-0.0 0.794 71.6 63.2 -63.9 -24.0 23.9 11.1 6.6 46 46 A E T 3 S- 0 0 59 1,-0.1 -1,-0.3 55,-0.0 -2,-0.1 0.692 107.8-128.4 -79.2 -15.7 23.7 9.0 9.7 47 47 A G < - 0 0 56 -3,-1.2 -2,-0.1 1,-0.1 2,-0.1 0.883 34.7-173.5 73.2 36.6 22.5 6.1 7.7 48 48 A F - 0 0 36 1,-0.1 2,-1.5 53,-0.0 -1,-0.1 -0.370 28.6-125.6 -66.8 144.8 19.4 5.2 9.7 49 49 A D + 0 0 165 -2,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.405 39.6 178.8 -92.7 60.1 17.6 2.0 8.7 50 50 A F - 0 0 23 -2,-1.5 4,-0.1 1,-0.1 38,-0.1 -0.330 28.8-141.4 -71.9 149.3 14.2 3.6 8.3 51 51 A S S S+ 0 0 116 36,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.278 80.0 66.9 -97.1 8.3 11.4 1.3 7.1 52 52 A V S S- 0 0 23 33,-0.1 2,-0.1 35,-0.1 -2,-0.1 -0.867 90.5 -93.0-123.8 159.7 9.7 3.8 4.8 53 53 A S - 0 0 73 -2,-0.3 29,-0.3 1,-0.1 30,-0.2 -0.369 46.4 -92.0 -82.8 152.9 11.1 5.3 1.6 54 54 A S S S+ 0 0 78 27,-0.1 2,-0.1 -2,-0.1 27,-0.1 -0.297 80.9 89.0 -70.8 169.9 13.0 8.5 1.0 55 55 A P - 0 0 48 0, 0.0 27,-0.9 0, 0.0 2,-0.3 0.555 66.0-172.2 -74.0 154.4 12.9 11.4 0.4 56 56 A Y E -CD 42 81C 24 -14,-0.6 -14,-2.3 25,-0.2 2,-0.3 -0.824 11.0-160.1-115.8 151.7 12.6 12.3 4.0 57 57 A Y E -CD 41 80C 27 23,-3.2 23,-2.1 -2,-0.3 2,-0.3 -0.937 9.7-140.7-128.7 152.2 12.0 15.7 5.6 58 58 A E E +CD 40 79C 15 -18,-2.7 -18,-1.3 -2,-0.3 21,-0.2 -0.891 17.6 176.8-119.2 151.9 12.6 16.9 9.1 59 59 A W E - D 0 78C 2 19,-2.1 19,-3.2 -2,-0.3 2,-0.1 -0.990 34.9-104.0-149.2 138.5 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 -0.386 24.0-160.6 -72.0 143.5 11.1 20.2 15.0 61 61 A I - 0 0 7 15,-1.5 15,-0.4 12,-0.2 2,-0.4 -0.982 17.6-148.0-116.2 133.8 9.2 18.6 17.8 62 62 A L > - 0 0 37 4,-0.5 3,-1.8 -2,-0.4 12,-0.1 -0.839 17.9-137.3-115.8 144.2 9.2 20.7 21.0 63 63 A S T 3 S+ 0 0 81 -2,-0.4 -53,-0.1 1,-0.3 -1,-0.1 0.692 100.7 69.8 -71.9 -14.0 9.2 19.5 24.6 64 64 A S T 3 S- 0 0 76 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.618 108.1-122.5 -73.5 -11.6 6.7 22.3 25.5 65 65 A G S < S+ 0 0 55 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.466 72.3 127.3 76.8 5.2 4.1 20.5 23.4 66 66 A D - 0 0 114 1,-0.1 -4,-0.5 -5,-0.0 -1,-0.3 -0.598 67.7-107.2 -82.8 154.9 3.6 23.6 21.2 67 67 A V - 0 0 64 -2,-0.2 -6,-0.1 -3,-0.1 -1,-0.1 -0.651 43.7 -99.2 -76.8 136.7 3.9 23.3 17.5 68 68 A Y + 0 0 8 -8,-0.5 3,-0.1 -2,-0.3 -1,-0.1 -0.332 49.7 163.1 -55.6 129.7 7.0 24.9 16.1 69 69 A S - 0 0 105 1,-0.6 -35,-0.3 -2,-0.0 2,-0.2 0.233 60.9 -65.4-134.4 9.8 6.4 28.4 14.8 70 70 A G S S+ 0 0 26 -37,-0.2 -1,-0.6 2,-0.1 2,-0.2 -0.589 90.2 78.9 123.8 173.5 9.9 29.8 14.5 71 71 A G S S- 0 0 59 -2,-0.2 -36,-0.2 -3,-0.1 -1,-0.1 -0.507 97.7 -2.9 81.9-162.3 12.7 30.6 16.9 72 72 A S - 0 0 104 -2,-0.2 -2,-0.1 1,-0.2 3,-0.1 -0.406 57.9-159.4 -68.4 135.8 15.0 28.0 18.4 73 73 A P - 0 0 16 0, 0.0 3,-0.4 0, 0.0 -12,-0.2 0.467 29.3-144.5 -96.7 3.4 13.8 24.5 17.2 74 74 A G - 0 0 39 1,-0.2 -12,-0.1 -14,-0.1 -3,-0.0 -0.218 37.0 -59.8 61.7-158.5 15.6 22.7 20.1 75 75 A A S S+ 0 0 27 -69,-0.1 17,-2.1 -3,-0.1 2,-0.3 0.626 102.3 83.4 -97.3 -14.6 17.3 19.4 19.7 76 76 A D E - E 0 91C 2 -15,-0.4 -15,-1.5 -3,-0.4 2,-0.3 -0.675 49.0-179.0-108.8 145.3 14.5 17.0 18.6 77 77 A R E -DE 60 90C 9 13,-3.0 13,-2.2 -2,-0.3 2,-0.4 -0.987 22.5-140.8-138.1 147.7 13.0 16.3 15.2 78 78 A V E -DE 59 89C 0 -19,-3.2 -19,-2.1 -2,-0.3 2,-0.5 -0.881 21.5-151.5 -99.1 147.1 10.3 14.2 13.5 79 79 A V E +DE 58 88C 0 9,-2.4 8,-3.0 -2,-0.4 9,-1.5 -0.982 21.4 169.5-123.6 121.9 11.3 12.7 10.2 80 80 A F E -DE 57 86C 0 -23,-2.1 -23,-3.2 -2,-0.5 6,-0.2 -0.857 21.5-131.4-130.5 162.7 8.5 12.0 7.6 81 81 A N E > -D 56 0C 2 4,-1.6 3,-2.0 -2,-0.3 -25,-0.2 -0.403 39.6 -84.0-109.8-172.8 8.4 11.1 3.9 82 82 A E T 3 S+ 0 0 77 -27,-0.9 -26,-0.1 -29,-0.3 -28,-0.1 0.762 127.0 53.4 -67.7 -22.9 6.6 12.3 0.8 83 83 A N T 3 S- 0 0 109 -30,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.227 118.7-108.5 -92.7 14.1 3.6 10.1 1.7 84 84 A N S < S+ 0 0 56 -3,-2.0 2,-0.4 1,-0.2 -2,-0.1 0.886 70.6 146.9 55.6 38.5 3.3 11.6 5.2 85 85 A Q - 0 0 81 -32,-0.1 -4,-1.6 -65,-0.0 2,-0.3 -0.867 52.9-116.4 -97.1 138.0 4.6 8.3 6.7 86 86 A L E +E 80 0C 54 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.583 30.6 179.7 -74.6 132.0 6.6 8.7 9.9 87 87 A A E - 0 0 17 -8,-3.0 -36,-0.3 1,-0.4 2,-0.3 0.793 56.7 -58.0 -95.6 -40.9 10.2 7.4 9.5 88 88 A G E -E 79 0C 8 -9,-1.5 -9,-2.4 -38,-0.1 2,-0.4 -0.980 39.3-100.9 175.3 173.1 11.5 8.1 13.0 89 89 A V E +E 78 0C 3 -2,-0.3 14,-3.0 14,-0.2 2,-0.3 -0.994 43.8 177.1-119.4 126.5 12.1 10.5 15.8 90 90 A I E -EF 77 102C 0 -13,-2.2 -13,-3.0 -2,-0.4 2,-0.3 -0.805 10.4-163.3-133.7 164.0 15.7 11.7 16.1 91 91 A T E -EF 76 101C 2 10,-2.7 10,-2.4 -2,-0.3 -15,-0.2 -0.999 29.4-141.8-151.0 145.9 17.7 14.1 18.3 92 92 A H S > S+ 0 0 42 -17,-2.1 3,-1.9 -2,-0.3 2,-0.2 0.646 75.6 107.9 -76.0 -17.4 21.0 16.0 18.5 93 93 A T T 3 S+ 0 0 64 1,-0.3 -86,-0.2 -18,-0.2 8,-0.1 -0.420 87.2 12.8 -64.7 130.2 21.0 15.3 22.3 94 94 A G T 3 S+ 0 0 79 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.579 108.5 100.9 82.8 6.7 23.7 12.7 23.1 95 95 A A S < S- 0 0 23 -3,-1.9 -1,-0.3 4,-0.2 2,-0.1 -0.936 77.1-105.5-124.9 152.1 25.3 12.9 19.7 96 96 A S S > S- 0 0 84 -2,-0.3 3,-2.3 4,-0.1 -3,-0.0 -0.435 76.2 -26.7 -78.2 148.0 28.5 14.8 18.8 97 97 A G T 3 S- 0 0 68 1,-0.3 -2,-0.2 -2,-0.1 0, 0.0 -0.227 125.7 -26.1 61.9-134.6 28.4 18.1 16.9 98 98 A N T 3 S+ 0 0 139 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.100 104.8 122.7-102.9 22.9 25.4 18.4 14.7 99 99 A N < - 0 0 78 -3,-2.3 2,-0.3 -7,-0.1 -4,-0.2 -0.254 52.7-133.2 -68.6 168.6 25.0 14.6 14.3 100 100 A F - 0 0 20 -6,-0.1 2,-0.3 -10,-0.0 -8,-0.2 -0.912 15.8-168.7-122.1 152.2 21.8 12.8 15.2 101 101 A V E -F 91 0C 58 -10,-2.4 -10,-2.7 -2,-0.3 2,-0.2 -0.920 36.1-101.0-124.7 161.6 20.9 9.7 17.2 102 102 A E E -F 90 0C 95 -2,-0.3 -12,-0.3 -12,-0.2 2,-0.2 -0.506 32.0-116.7 -79.0 147.6 17.4 8.1 17.3 103 103 A b 0 0 11 -14,-3.0 -14,-0.2 -2,-0.2 -97,-0.2 -0.579 360.0 360.0 -77.4 153.6 15.1 8.6 20.2 104 104 A T 0 0 138 -99,-2.0 -98,-0.1 -2,-0.2 -1,-0.1 0.400 360.0 360.0-113.6 360.0 14.4 5.4 22.0