==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 28-DEC-11 3V9U . COMPND 2 MOLECULE: RIBONUCLEASE T; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.-Y.HSIAO,H.S.YUAN . 830 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 556 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 29 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.2 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 2 0 0 7 1 6 0 0 0 0 2 2 1 1 0 2 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 4 4 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 . 0 0 0 0 0 0 4 4 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 . 0 0 0 4 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 4 A N > 0 0 130 0, 0.0 4,-1.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -46.9 -12.1 -2.2 -21.9 2 5 A A H > + 0 0 75 1,-0.2 4,-3.0 2,-0.2 3,-0.4 0.948 360.0 47.7 -60.4 -53.0 -8.9 -1.9 -19.9 3 6 A Q H > S+ 0 0 78 1,-0.3 40,-1.4 2,-0.2 4,-1.0 0.725 113.4 49.0 -65.6 -23.1 -9.1 1.8 -19.1 4 7 A L H > S+ 0 0 24 -3,-0.2 4,-1.6 2,-0.2 104,-0.3 0.730 113.3 47.9 -83.9 -25.5 -12.8 1.4 -18.1 5 8 A T H X S+ 0 0 40 -4,-1.5 4,-2.5 -3,-0.4 -2,-0.2 0.874 110.0 50.3 -79.9 -40.7 -11.8 -1.5 -15.9 6 9 A G H X S+ 0 0 27 -4,-3.0 4,-1.0 2,-0.2 -2,-0.2 0.861 110.6 52.2 -64.5 -37.3 -8.9 0.3 -14.3 7 10 A L H >X S+ 0 0 0 -4,-1.0 3,-0.8 -5,-0.3 4,-0.6 0.971 112.0 43.6 -58.5 -56.8 -11.2 3.2 -13.6 8 11 A a H ><>S+ 0 0 0 -4,-1.6 5,-2.3 1,-0.3 3,-1.4 0.875 108.9 57.1 -61.5 -39.6 -13.8 1.0 -11.8 9 12 A D H ><5S+ 0 0 122 -4,-2.5 3,-1.2 1,-0.3 -1,-0.3 0.782 96.8 65.1 -63.3 -26.6 -11.2 -0.9 -9.9 10 13 A R H <<5S+ 0 0 9 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.795 111.9 35.2 -63.1 -28.2 -10.0 2.4 -8.5 11 14 A F T X<5S- 0 0 2 -3,-1.4 3,-2.3 -4,-0.6 -1,-0.3 -0.251 122.4 -97.8-123.8 43.0 -13.4 2.7 -6.8 12 15 A R T < 5S- 0 0 103 -3,-1.2 -3,-0.2 1,-0.3 3,-0.1 0.843 93.5 -34.9 44.9 48.2 -14.1 -0.9 -5.9 13 16 A G T 3 > - 0 0 76 1,-0.1 4,-3.1 5,-0.0 3,-0.6 -0.853 56.3-165.5-100.6 110.7 -38.0 20.0 -4.6 28 31 A A T 34 S+ 0 0 12 -2,-0.7 -1,-0.1 1,-0.2 5,-0.1 0.757 88.2 47.7 -64.7 -27.5 -37.1 17.0 -6.6 29 32 A K T 34 S+ 0 0 162 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.719 127.2 21.4 -86.1 -22.2 -40.6 15.5 -6.4 30 33 A T T <4 S+ 0 0 65 -3,-0.6 36,-3.1 35,-0.1 2,-0.3 0.605 106.2 77.8-123.9 -20.8 -42.5 18.6 -7.3 31 34 A D B < S-e 66 0B 7 -4,-3.1 36,-0.2 34,-0.2 -6,-0.1 -0.738 84.0 -99.9 -98.4 147.6 -40.2 21.0 -9.2 32 35 A A - 0 0 0 34,-1.9 -8,-2.5 -2,-0.3 2,-0.5 -0.303 18.3-133.3 -69.0 140.4 -39.3 20.5 -12.9 33 36 A L E +B 23 0A 4 -10,-0.2 -10,-0.3 27,-0.2 29,-0.1 -0.815 31.1 172.5 -80.7 129.9 -36.1 19.0 -14.2 34 37 A L E + 0 0 0 -12,-3.3 25,-2.8 -2,-0.5 2,-0.3 0.665 54.7 10.0-117.3 -24.0 -35.0 21.4 -16.9 35 38 A E E -BC 22 58A 13 -13,-1.7 -13,-2.7 23,-0.3 -1,-0.4 -0.984 53.6-172.7-159.6 144.1 -31.5 20.3 -18.0 36 39 A I E -BC 21 57A 1 21,-2.8 21,-3.0 -2,-0.3 2,-0.4 -0.985 2.0-178.7-146.0 133.6 -29.1 17.4 -17.6 37 40 A A E -BC 20 56A 0 -17,-2.2 -17,-2.0 -2,-0.3 2,-0.4 -0.976 7.6-165.6-129.1 144.9 -25.5 16.9 -18.6 38 41 A A E -BC 19 55A 0 17,-2.7 17,-2.7 -2,-0.4 2,-0.5 -0.996 5.1-170.6-135.3 132.9 -23.4 13.7 -18.1 39 42 A I E -BC 18 54A 4 -21,-2.7 -21,-2.7 -2,-0.4 15,-0.2 -0.968 9.6-156.4-127.7 117.6 -19.7 13.2 -18.4 40 43 A T E -B 17 0A 2 13,-1.9 12,-3.3 -2,-0.5 2,-0.2 -0.426 15.0-142.3 -82.6 164.6 -18.1 9.7 -18.2 41 44 A L E - C 0 51A 0 -25,-0.6 2,-0.3 10,-0.3 -34,-0.1 -0.751 13.0-166.4-125.4 171.0 -14.5 9.2 -17.2 42 45 A K E - C 0 50A 59 8,-2.3 8,-1.8 -2,-0.2 2,-0.5 -0.989 17.8-129.1-156.0 155.5 -11.5 7.0 -18.0 43 46 A M E - C 0 49A 28 -40,-1.4 6,-0.2 -2,-0.3 -37,-0.2 -0.932 22.2-140.5-111.1 124.8 -8.1 6.1 -16.7 44 47 A D > - 0 0 34 4,-2.4 3,-1.9 -2,-0.5 6,-0.0 -0.225 37.0 -93.9 -72.6 172.5 -5.0 6.3 -18.9 45 48 A E T 3 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.747 126.5 59.5 -61.6 -25.0 -2.3 3.6 -18.7 46 49 A Q T 3 S- 0 0 117 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.637 121.0-109.0 -77.8 -14.7 -0.4 5.8 -16.2 47 50 A G S < S+ 0 0 18 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.579 70.8 142.9 95.9 13.0 -3.4 5.6 -13.9 48 51 A W - 0 0 81 151,-0.0 -4,-2.4 1,-0.0 -1,-0.3 -0.637 45.3-129.4 -86.7 145.4 -4.4 9.2 -14.3 49 52 A L E +C 43 0A 5 143,-0.3 -6,-0.2 -2,-0.3 147,-0.1 -0.680 34.9 157.3 -93.3 146.0 -8.1 10.1 -14.4 50 53 A M E -C 42 0A 59 -8,-1.8 -8,-2.3 -2,-0.3 2,-0.1 -0.981 44.5 -80.4-161.1 160.3 -9.7 12.3 -17.1 51 54 A P E +C 41 0A 56 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.376 42.1 171.7 -62.3 137.5 -13.0 13.1 -18.9 52 55 A D E + 0 0 66 -12,-3.3 2,-0.3 1,-0.4 -11,-0.2 0.720 52.8 13.6-110.9 -79.6 -14.2 10.7 -21.6 53 56 A T E - 0 0 55 -12,-0.1 -13,-1.9 2,-0.0 2,-0.4 -0.760 57.1-155.1-109.9 150.8 -17.7 11.2 -23.0 54 57 A T E +C 39 0A 74 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.980 12.6 173.9-129.1 124.4 -20.2 14.0 -22.8 55 58 A L E +C 38 0A 25 -17,-2.7 -17,-2.7 -2,-0.4 2,-0.3 -0.923 5.8 179.1-118.9 154.5 -24.0 14.0 -23.2 56 59 A H E +C 37 0A 66 -2,-0.3 2,-0.4 -19,-0.3 -19,-0.2 -0.958 3.5 175.9-158.5 131.8 -26.4 16.9 -22.6 57 60 A F E -C 36 0A 44 -21,-3.0 -21,-2.8 -2,-0.3 2,-0.4 -0.995 26.0-137.2-135.3 142.6 -30.2 17.4 -22.9 58 61 A H E -C 35 0A 52 27,-0.4 29,-2.5 -2,-0.4 2,-0.5 -0.810 34.2-140.6 -86.8 142.1 -32.6 20.1 -22.2 59 62 A V B -f 87 0C 2 -25,-2.8 29,-0.2 -2,-0.4 27,-0.1 -0.908 5.5-126.4-116.6 131.4 -35.6 18.6 -20.5 60 63 A E - 0 0 91 27,-4.3 29,-0.3 -2,-0.5 -27,-0.2 -0.564 39.1-106.5 -67.5 124.6 -39.3 19.4 -20.9 61 64 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.334 42.6-116.8 -49.4 126.2 -41.0 20.2 -17.6 62 65 A F > - 0 0 56 1,-0.1 3,-2.1 -29,-0.1 2,-0.4 -0.261 38.0 -84.4 -67.4 157.5 -43.1 17.2 -16.7 63 66 A V T 3 S+ 0 0 145 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.503 120.1 24.3 -67.0 121.7 -46.9 17.6 -16.5 64 67 A G T 3 S+ 0 0 79 -2,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.238 88.9 149.3 106.7 -8.9 -47.7 18.8 -13.0 65 68 A A < - 0 0 18 -3,-2.1 -1,-0.3 -34,-0.1 -34,-0.2 -0.352 40.7-139.7 -63.4 127.7 -44.3 20.3 -12.5 66 69 A N B -e 31 0B 71 -36,-3.1 -34,-1.9 -2,-0.1 2,-0.4 -0.506 15.4-154.5 -75.3 155.2 -44.1 23.4 -10.3 67 70 A L - 0 0 56 -36,-0.2 -42,-0.2 -2,-0.2 -36,-0.1 -0.906 5.4-153.3-140.7 113.7 -41.8 26.2 -11.4 68 71 A Q >> - 0 0 58 -44,-3.3 4,-1.7 -2,-0.4 3,-1.4 -0.739 9.6-149.2 -86.0 121.1 -40.1 28.7 -9.1 69 72 A P H 3> S+ 0 0 85 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.799 98.9 63.0 -58.4 -31.1 -39.3 32.0 -11.0 70 73 A E H 3> S+ 0 0 125 2,-0.2 4,-0.9 1,-0.2 -45,-0.1 0.810 104.0 49.4 -63.2 -29.9 -36.3 32.4 -8.6 71 74 A A H <> S+ 0 0 16 -3,-1.4 4,-2.4 -47,-0.3 5,-0.4 0.950 112.3 45.1 -71.4 -52.2 -35.0 29.2 -10.2 72 75 A L H X S+ 0 0 36 -4,-1.7 4,-2.0 1,-0.3 5,-0.2 0.883 112.9 51.8 -58.2 -40.7 -35.6 30.4 -13.8 73 76 A A H < S+ 0 0 86 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.819 110.8 51.1 -64.1 -30.3 -34.0 33.8 -12.9 74 77 A F H < S+ 0 0 127 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.946 124.5 22.0 -75.4 -51.0 -31.1 31.9 -11.4 75 78 A N H < S- 0 0 25 -4,-2.4 -2,-0.2 -52,-0.2 -3,-0.2 0.537 99.0-129.9 -97.4 -8.6 -30.1 29.6 -14.3 76 79 A G < + 0 0 60 -4,-2.0 2,-0.3 -5,-0.4 -3,-0.2 0.606 49.9 155.1 75.4 14.8 -31.9 31.7 -17.0 77 80 A I - 0 0 19 -6,-0.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.590 31.8-158.0 -82.2 133.3 -33.8 28.9 -18.5 78 81 A D > - 0 0 87 -2,-0.3 3,-0.8 1,-0.1 6,-0.1 -0.888 1.9-165.8-109.6 100.1 -37.0 29.7 -20.4 79 82 A P T 3 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.538 87.9 56.5 -61.9 -6.1 -39.1 26.5 -20.5 80 83 A N T 3 S+ 0 0 143 4,-0.0 4,-0.1 -3,-0.0 -3,-0.0 0.784 71.6 114.3 -97.7 -33.8 -41.2 28.2 -23.2 81 84 A D X - 0 0 77 -3,-0.8 3,-0.9 1,-0.1 4,-0.2 -0.130 56.8-149.9 -42.1 122.9 -38.6 29.0 -25.8 82 85 A P G > S+ 0 0 114 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.914 92.6 56.2 -66.5 -47.1 -39.4 27.0 -28.9 83 86 A D G 3 S+ 0 0 153 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 0.271 80.9 100.2 -71.9 14.1 -35.9 26.6 -30.3 84 87 A R G < S- 0 0 30 -3,-0.9 -1,-0.2 -4,-0.1 -26,-0.1 0.907 74.8-147.5 -69.1 -42.5 -35.0 25.1 -26.9 85 88 A G < + 0 0 57 -3,-1.0 -27,-0.4 -4,-0.2 -2,-0.1 0.798 28.4 175.8 79.9 30.4 -35.1 21.5 -28.1 86 89 A A - 0 0 27 -4,-0.2 -27,-0.3 -27,-0.1 2,-0.2 -0.389 9.9-165.8 -69.0 142.4 -36.3 20.0 -24.8 87 90 A V B -f 59 0C 41 -29,-2.5 -27,-4.3 1,-0.1 2,-0.1 -0.662 32.3 -78.7-115.6 178.3 -37.1 16.3 -24.6 88 91 A S > - 0 0 57 -2,-0.2 4,-2.2 -29,-0.2 5,-0.2 -0.365 37.9-114.9 -73.3 158.5 -39.0 14.3 -22.0 89 92 A G H > S+ 0 0 19 -29,-0.3 4,-2.5 1,-0.2 5,-0.3 0.908 118.7 56.1 -57.5 -42.0 -37.3 13.3 -18.8 90 93 A Y H > S+ 0 0 105 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.947 106.9 47.2 -53.1 -54.4 -37.6 9.7 -20.0 91 94 A E H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.917 112.9 49.1 -57.1 -46.3 -35.8 10.4 -23.2 92 95 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.954 116.8 39.4 -60.6 -52.1 -32.9 12.2 -21.5 93 96 A L H X S+ 0 0 1 -4,-2.5 4,-3.8 2,-0.2 5,-0.3 0.878 112.2 56.6 -67.6 -39.8 -32.3 9.6 -18.8 94 97 A H H X S+ 0 0 55 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.933 109.5 46.1 -57.5 -47.6 -32.8 6.7 -21.2 95 98 A E H X S+ 0 0 66 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.883 115.9 45.7 -62.7 -41.7 -30.0 8.0 -23.5 96 99 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.953 113.7 48.2 -66.3 -49.2 -27.7 8.7 -20.6 97 100 A F H X S+ 0 0 3 -4,-3.8 4,-3.9 1,-0.2 5,-0.3 0.899 108.2 56.3 -57.7 -41.0 -28.4 5.3 -18.9 98 101 A K H X S+ 0 0 96 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.2 0.922 110.6 43.5 -57.6 -45.3 -27.8 3.6 -22.3 99 102 A V H X S+ 0 0 49 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.852 117.5 46.7 -68.4 -35.0 -24.4 5.2 -22.5 100 103 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.927 106.3 56.1 -73.1 -46.6 -23.6 4.4 -18.9 101 104 A R H X S+ 0 0 85 -4,-3.9 4,-0.9 1,-0.2 -1,-0.2 0.830 105.8 53.6 -56.5 -32.4 -24.9 0.8 -19.0 102 105 A K H >X S+ 0 0 71 -4,-1.3 4,-1.6 -5,-0.3 3,-0.7 0.927 106.6 52.2 -66.7 -44.5 -22.4 0.2 -21.8 103 106 A G H 3< S+ 0 0 5 -4,-1.3 3,-0.3 1,-0.2 -2,-0.2 0.956 107.2 51.8 -51.7 -53.7 -19.6 1.5 -19.6 104 107 A I H 3< S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.705 103.9 60.1 -60.4 -21.6 -20.6 -0.9 -16.8 105 108 A K H << S+ 0 0 137 -4,-0.9 2,-3.2 -3,-0.7 -1,-0.2 0.948 91.5 64.2 -69.8 -51.2 -20.4 -3.8 -19.3 106 109 A A S < S- 0 0 27 -4,-1.6 2,-0.5 -3,-0.3 -1,-0.2 -0.400 102.5-178.5 -68.2 72.0 -16.7 -3.2 -20.2 107 110 A S S S+ 0 0 57 -2,-3.2 -102,-0.2 1,-0.2 -3,-0.1 -0.811 77.2 129.4-125.5 125.1 -16.3 -4.1 -16.6 108 111 A G S S+ 0 0 37 -2,-0.5 2,-0.2 -104,-0.3 -1,-0.2 -0.122 93.1 110.2 -91.0 7.1 -14.2 -4.6 -13.6 109 112 A a + 0 0 9 -6,-0.2 -95,-0.2 1,-0.1 -2,-0.1 -0.558 44.2 166.4 -84.2 142.2 -17.3 -2.4 -13.3 110 113 A N - 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