==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JAN-01 1HZ1 . COMPND 2 MOLECULE: RIBONUCLEASE T1; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER; . AUTHOR J.DE SWARTE,S.DE VOS,U.LANGHORST,J.STEYAERT,R.LORIS . 104 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5600.0 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 . 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 0 151 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 156.9 5.7 6.0 29.8 2 2 A a - 0 0 47 1,-0.2 10,-0.2 10,-0.1 3,-0.2 -0.675 360.0-158.0 -89.4 139.7 7.1 7.7 26.7 3 3 A D S S+ 0 0 86 8,-2.0 2,-0.4 1,-0.3 9,-0.2 0.820 93.1 20.3 -79.8 -32.1 6.5 6.3 23.2 4 4 A Y E S-A 11 0A 54 7,-2.2 7,-2.7 -3,-0.1 2,-0.5 -0.999 71.8-163.9-136.9 130.3 9.6 8.1 22.1 5 5 A T E -A 10 0A 44 -2,-0.4 99,-1.6 5,-0.2 2,-0.8 -0.964 5.0-176.0-119.6 114.3 12.4 9.3 24.4 6 6 A b E > -A 9 0A 0 3,-2.3 3,-2.1 -2,-0.5 2,-0.7 -0.830 68.5 -59.7-110.0 91.2 14.8 11.9 23.0 7 7 A G T 3 S- 0 0 45 -2,-0.8 97,-0.1 1,-0.3 84,-0.0 -0.632 120.4 -21.6 71.9-114.4 17.3 12.5 25.7 8 8 A S T 3 S+ 0 0 115 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.3 0.440 115.0 106.6-106.5 -3.3 15.2 13.7 28.5 9 9 A N E < -A 6 0A 46 -3,-2.1 -3,-2.3 1,-0.0 2,-0.5 -0.623 58.6-149.5 -80.9 135.8 12.2 14.8 26.3 10 10 A a E +A 5 0A 72 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.911 16.9 179.6-111.0 123.4 9.2 12.6 26.4 11 11 A Y E -A 4 0A 4 -7,-2.7 -7,-2.2 -2,-0.5 -8,-2.0 -0.939 14.8-151.5-125.6 145.4 6.8 12.2 23.4 12 12 A S > - 0 0 33 -2,-0.4 4,-1.8 -9,-0.2 3,-0.2 -0.613 37.8-103.8-102.6 168.1 3.7 10.2 22.9 13 13 A S H > S+ 0 0 58 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.862 123.5 55.9 -60.2 -35.5 2.5 8.8 19.5 14 14 A S H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.884 103.5 53.2 -65.8 -36.8 -0.0 11.6 19.4 15 15 A D H > S+ 0 0 59 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 111.9 46.5 -62.7 -41.3 2.7 14.2 19.8 16 16 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.905 111.5 50.0 -67.2 -42.9 4.5 12.7 16.9 17 17 A S H X S+ 0 0 65 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.874 110.2 51.1 -64.5 -37.6 1.4 12.5 14.7 18 18 A T H X S+ 0 0 79 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.941 112.8 44.2 -65.0 -48.8 0.6 16.2 15.4 19 19 A A H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.930 113.9 51.5 -60.5 -46.8 4.0 17.4 14.5 20 20 A Q H X S+ 0 0 21 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.890 106.1 54.1 -57.5 -44.2 4.1 15.2 11.4 21 21 A A H X S+ 0 0 57 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.891 110.4 46.9 -59.5 -40.9 0.7 16.5 10.2 22 22 A A H X S+ 0 0 25 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.929 113.5 47.6 -67.4 -46.0 2.0 20.1 10.4 23 23 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.908 110.9 50.9 -62.6 -43.3 5.2 19.3 8.6 24 24 A Y H X S+ 0 0 37 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.907 107.3 53.7 -63.1 -42.5 3.5 17.3 5.8 25 25 A K H X S+ 0 0 107 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.923 110.6 45.5 -59.1 -46.1 1.0 20.1 5.1 26 26 A L H X>S+ 0 0 40 -4,-1.9 5,-2.5 2,-0.2 4,-0.9 0.904 112.1 53.7 -63.6 -39.0 3.8 22.7 4.7 27 27 A H H ><5S+ 0 0 40 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.941 109.0 48.1 -58.7 -48.2 5.6 20.2 2.5 28 28 A E H 3<5S+ 0 0 112 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.842 114.1 46.2 -61.4 -36.7 2.5 19.8 0.3 29 29 A D H 3<5S- 0 0 78 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.516 110.8-121.0 -85.1 -5.9 2.1 23.5 -0.0 30 30 A G T <<5 + 0 0 68 -4,-0.9 2,-0.3 -3,-0.9 -3,-0.2 0.887 67.1 133.9 68.9 38.7 5.8 24.1 -0.7 31 31 A E < - 0 0 114 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.3 -0.864 35.3-165.6-120.0 154.2 6.3 26.4 2.2 32 32 A T - 0 0 86 -2,-0.3 2,-0.3 -3,-0.1 5,-0.1 -0.940 1.7-161.1-136.4 158.3 9.0 26.5 4.8 33 33 A V B > +B 38 0B 36 5,-2.5 5,-2.6 -2,-0.3 37,-0.2 -0.975 48.8 32.6-139.5 151.5 9.5 28.1 8.2 34 34 A G T > 5S- 0 0 28 -2,-0.3 3,-1.5 35,-0.2 38,-0.1 0.017 92.1 -74.8 89.4 161.8 12.5 28.9 10.4 35 35 A S T 3 5S+ 0 0 125 36,-0.3 -1,-0.2 1,-0.3 37,-0.1 0.743 132.7 51.9 -66.8 -23.7 16.0 29.8 9.6 36 36 A N T 3 5S- 0 0 87 -3,-0.2 -1,-0.3 4,-0.0 -2,-0.1 0.313 113.2-120.9 -95.1 9.1 16.8 26.2 8.7 37 37 A S T < 5 - 0 0 58 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.962 40.6-127.9 50.3 70.7 13.8 26.2 6.3 38 38 A Y B + 0 0 33 1,-0.1 3,-1.1 2,-0.1 -2,-0.0 0.940 41.0 166.1 58.8 51.1 19.8 9.8 6.2 45 45 A Y T 3 S+ 0 0 192 1,-0.3 -1,-0.1 2,-0.1 54,-0.0 0.873 73.4 64.7 -60.7 -36.5 23.6 10.2 6.3 46 46 A E T 3 S- 0 0 56 1,-0.1 -1,-0.3 55,-0.0 -2,-0.1 0.739 106.3-131.0 -58.1 -26.7 23.3 8.1 9.6 47 47 A G < - 0 0 55 -3,-1.1 -2,-0.1 1,-0.2 -1,-0.1 0.872 34.5-177.0 76.7 37.2 22.0 5.2 7.6 48 48 A F - 0 0 37 1,-0.1 2,-1.2 53,-0.0 -1,-0.2 -0.376 29.4-125.4 -66.3 147.0 19.0 4.4 9.7 49 49 A D - 0 0 155 -2,-0.0 2,-0.1 2,-0.0 -1,-0.1 -0.658 36.9-178.4 -97.0 79.6 17.0 1.4 8.6 50 50 A F - 0 0 20 -2,-1.2 38,-0.1 1,-0.1 37,-0.1 -0.482 28.4-139.4 -77.1 149.4 13.6 2.9 8.3 51 51 A S S S+ 0 0 118 36,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.703 84.0 67.8 -81.7 -21.4 10.7 0.6 7.3 52 52 A V S S- 0 0 21 35,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.692 89.5-106.0 -99.0 154.5 9.1 3.1 5.0 53 53 A S - 0 0 76 -2,-0.3 30,-0.2 1,-0.1 29,-0.2 -0.301 43.9 -83.8 -79.2 161.4 10.7 4.3 1.7 54 54 A S S S+ 0 0 76 27,-0.1 2,-0.2 -4,-0.1 -1,-0.1 -0.300 78.4 95.3 -85.9 175.7 12.3 7.6 0.9 55 55 A P - 0 0 62 0, 0.0 27,-0.8 0, 0.0 2,-0.3 0.488 66.5-164.2 -63.3 152.9 12.4 10.5 0.1 56 56 A Y E -CD 42 81C 27 -14,-0.5 -14,-2.6 25,-0.2 2,-0.3 -0.846 11.2-165.5-114.3 151.8 12.5 11.6 3.7 57 57 A Y E -CD 41 80C 33 23,-2.4 23,-2.2 -2,-0.3 2,-0.4 -0.986 9.8-143.6-135.5 143.0 11.8 15.0 5.3 58 58 A E E +CD 40 79C 14 -18,-2.8 -18,-1.4 -2,-0.3 21,-0.2 -0.862 18.1 174.4-111.1 148.2 12.6 16.3 8.7 59 59 A W E - D 0 78C 1 19,-1.8 19,-3.0 -2,-0.4 -36,-0.1 -0.990 36.0-101.8-147.7 138.1 10.5 18.6 10.8 60 60 A P E - D 0 77C 1 0, 0.0 8,-0.5 0, 0.0 2,-0.4 -0.314 24.7-159.5 -65.5 144.6 11.0 19.8 14.5 61 61 A I - 0 0 6 15,-1.4 2,-0.4 12,-0.3 15,-0.4 -0.993 19.0-142.3-121.0 129.3 8.9 18.2 17.3 62 62 A L > - 0 0 38 4,-0.6 3,-1.5 -2,-0.4 12,-0.1 -0.804 15.9-143.6-103.9 138.0 8.9 20.4 20.4 63 63 A S T 3 S+ 0 0 82 -2,-0.4 -53,-0.1 1,-0.3 -1,-0.1 0.680 99.6 70.4 -66.0 -17.8 9.0 19.4 24.0 64 64 A S T 3 S- 0 0 73 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.739 108.9-121.7 -71.5 -23.0 6.6 22.3 24.8 65 65 A G S < S+ 0 0 54 -3,-1.5 2,-0.1 1,-0.4 -2,-0.1 0.283 74.3 120.6 97.7 -10.2 3.8 20.4 23.0 66 66 A D S S- 0 0 113 1,-0.1 -4,-0.6 -5,-0.0 -1,-0.4 -0.472 70.4-105.2 -85.0 159.0 3.3 23.3 20.5 67 67 A V - 0 0 64 -2,-0.1 -6,-0.1 -3,-0.1 -1,-0.1 -0.663 43.2-100.0 -84.1 138.2 3.7 23.0 16.8 68 68 A Y + 0 0 7 -8,-0.5 3,-0.1 -2,-0.3 -1,-0.1 -0.345 49.7 161.2 -59.3 131.6 6.9 24.5 15.3 69 69 A S - 0 0 104 1,-0.6 -35,-0.2 -2,-0.1 2,-0.2 0.201 62.3 -61.7-136.6 12.5 6.2 27.9 13.8 70 70 A G S S+ 0 0 27 -37,-0.2 -1,-0.6 1,-0.1 2,-0.1 -0.647 91.7 77.0 126.8 174.6 9.7 29.4 13.7 71 71 A G S S+ 0 0 59 -2,-0.2 -36,-0.3 -3,-0.1 -1,-0.1 -0.469 96.5 1.1 84.3-161.6 12.4 30.3 16.1 72 72 A S - 0 0 106 1,-0.1 -2,-0.1 -2,-0.1 -38,-0.0 -0.454 58.4-158.4 -67.5 123.0 14.7 27.7 17.7 73 73 A P - 0 0 19 0, 0.0 3,-0.3 0, 0.0 -12,-0.3 0.576 28.0-144.1 -76.3 -12.8 13.8 24.1 16.5 74 74 A G - 0 0 41 1,-0.2 -12,-0.1 -14,-0.1 17,-0.0 -0.303 35.3 -68.8 75.9-166.9 15.4 22.4 19.4 75 75 A A S S+ 0 0 28 -69,-0.1 17,-1.8 -14,-0.1 2,-0.3 0.571 102.4 87.1-102.4 -9.2 17.2 19.1 19.0 76 76 A D E + E 0 91C 3 -15,-0.4 -15,-1.4 -3,-0.3 2,-0.3 -0.685 48.4 177.9-100.8 148.2 14.3 16.7 18.2 77 77 A R E -DE 60 90C 6 13,-2.7 13,-2.1 -2,-0.3 2,-0.4 -0.984 23.5-140.6-142.7 150.6 12.8 15.9 14.8 78 78 A V E -DE 59 89C 0 -19,-3.0 -19,-1.8 -2,-0.3 2,-0.5 -0.890 22.1-148.9-106.6 143.4 10.1 13.7 13.3 79 79 A V E +DE 58 88C 0 9,-2.9 8,-3.4 -2,-0.4 9,-1.5 -0.969 23.7 166.6-116.6 125.4 11.0 12.1 9.9 80 80 A F E -DE 57 86C 0 -23,-2.2 -23,-2.4 -2,-0.5 6,-0.2 -0.875 21.9-131.1-132.4 165.7 8.2 11.4 7.4 81 81 A N E > -D 56 0C 3 4,-1.7 3,-2.1 -2,-0.3 -25,-0.2 -0.499 38.5 -85.7-111.6-175.7 8.0 10.5 3.7 82 82 A E T 3 S+ 0 0 76 -27,-0.8 -26,-0.1 1,-0.3 -28,-0.1 0.722 126.4 55.7 -60.1 -23.8 6.2 11.6 0.6 83 83 A N T 3 S- 0 0 110 -30,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.236 118.9-111.0 -93.5 12.4 3.3 9.3 1.5 84 84 A N < + 0 0 60 -3,-2.1 2,-0.4 1,-0.2 -2,-0.1 0.897 69.2 148.0 57.6 43.2 3.0 11.0 4.9 85 85 A Q - 0 0 87 -32,-0.1 -4,-1.7 -4,-0.1 2,-0.4 -0.884 52.7-115.4-107.0 140.2 4.2 7.9 6.7 86 86 A L E +E 80 0C 46 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.631 30.0 179.5 -77.6 125.3 6.2 8.3 9.9 87 87 A A E - 0 0 16 -8,-3.4 -36,-0.3 -2,-0.4 2,-0.3 0.823 56.4 -69.3 -91.5 -40.0 9.7 6.9 9.5 88 88 A G E -E 79 0C 9 -9,-1.5 -9,-2.9 -38,-0.1 2,-0.5 -0.970 39.2 -90.9 168.1 179.3 10.9 7.7 13.0 89 89 A V E +E 78 0C 4 -2,-0.3 14,-2.8 14,-0.2 2,-0.3 -0.986 43.4 176.6-122.6 124.6 11.8 10.2 15.6 90 90 A I E -EF 77 102C 0 -13,-2.1 -13,-2.7 -2,-0.5 2,-0.3 -0.792 9.5-162.5-125.9 167.7 15.4 11.3 15.9 91 91 A T E -EF 76 101C 2 10,-2.6 10,-2.1 -2,-0.3 -15,-0.2 -0.995 30.2-140.3-152.2 153.5 17.5 13.8 18.0 92 92 A H S > S+ 0 0 45 -17,-1.8 3,-1.9 -2,-0.3 2,-0.2 0.617 75.8 110.2 -83.4 -16.9 20.9 15.6 18.1 93 93 A T T 3 S+ 0 0 61 1,-0.3 -86,-0.2 -18,-0.2 -2,-0.1 -0.428 87.9 9.7 -63.6 124.3 20.9 14.9 21.8 94 94 A G T 3 S+ 0 0 80 1,-0.3 2,-0.4 -2,-0.2 -1,-0.3 0.605 108.5 106.4 82.8 10.0 23.6 12.4 22.7 95 95 A A S < S- 0 0 22 -3,-1.9 -1,-0.3 4,-0.2 2,-0.1 -0.939 75.8-106.8-121.3 144.5 25.1 12.5 19.2 96 96 A S S > S- 0 0 90 -2,-0.4 3,-2.2 4,-0.1 -3,-0.0 -0.442 76.4 -29.9 -73.4 142.9 28.3 14.2 18.3 97 97 A G T 3 S- 0 0 67 1,-0.3 -2,-0.2 -2,-0.1 0, 0.0 -0.262 125.9 -24.0 55.6-129.5 28.2 17.5 16.3 98 98 A N T 3 S+ 0 0 140 2,-0.0 -1,-0.3 -2,-0.0 -2,-0.1 0.069 105.5 122.1-102.7 21.9 25.2 17.7 14.1 99 99 A N < - 0 0 84 -3,-2.2 2,-0.3 -7,-0.1 -4,-0.2 -0.282 53.4-132.4 -76.9 170.9 24.7 14.0 13.8 100 100 A F - 0 0 18 -6,-0.1 2,-0.3 -2,-0.0 -8,-0.2 -0.888 15.8-168.9-125.9 154.6 21.5 12.2 14.9 101 101 A V E -F 91 0C 53 -10,-2.1 -10,-2.6 -2,-0.3 2,-0.1 -0.947 36.2-101.5-135.5 152.4 20.6 9.2 17.0 102 102 A E E -F 90 0C 98 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.3 -0.456 34.4-113.6 -76.7 150.1 17.1 7.6 17.1 103 103 A b 0 0 14 -14,-2.8 -14,-0.2 1,-0.1 -97,-0.2 -0.682 360.0 360.0 -83.1 137.4 14.9 8.3 20.1 104 104 A T 0 0 136 -99,-1.6 -1,-0.1 -2,-0.4 -98,-0.1 0.866 360.0 360.0 -79.5 360.0 14.2 5.2 22.2