==== 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 RIBONUCLEASE INHIBITOR 09-MAY-94 1BTA . COMPND 2 MOLECULE: BARSTAR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR M.J.LUBIENSKI,M.BYCROFT,S.M.V.FREUND,A.R.FERSHT . 89 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 79.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 1 1.1 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 . 11 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.5 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 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 152 0, 0.0 49,-1.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-171.7 -7.5 5.2 9.2 2 2 A K E -a 50 0A 103 47,-0.2 2,-0.3 21,-0.1 49,-0.2 -0.957 360.0-169.5-133.8 153.7 -3.8 5.5 8.5 3 3 A A E -a 51 0A 0 47,-1.5 49,-2.2 -2,-0.3 2,-0.4 -0.933 5.4-159.9-134.7 157.3 -1.1 3.4 6.8 4 4 A V E -a 52 0A 28 -2,-0.3 2,-1.0 15,-0.2 49,-0.2 -0.926 5.9-160.1-144.5 118.6 2.7 3.8 6.8 5 5 A I E -a 53 0A 0 47,-1.8 49,-1.4 -2,-0.4 2,-1.0 -0.740 11.7-170.1-100.1 93.0 5.1 2.2 4.2 6 6 A N E >> -a 54 0A 61 -2,-1.0 4,-2.1 1,-0.2 3,-1.0 -0.684 4.7-172.9 -83.5 104.2 8.5 2.2 5.9 7 7 A G T 34 S+ 0 0 3 -2,-1.0 -1,-0.2 47,-0.6 48,-0.1 0.931 79.7 70.5 -64.8 -43.3 11.0 1.3 3.1 8 8 A E T 34 S+ 0 0 142 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.812 111.2 36.3 -44.5 -25.9 13.9 1.0 5.5 9 9 A Q T <4 S+ 0 0 132 -3,-1.0 -1,-0.2 6,-0.0 -2,-0.2 0.868 92.5 99.6 -94.9 -47.2 12.1 -2.1 6.7 10 10 A I < + 0 0 11 -4,-2.1 3,-0.1 1,-0.2 52,-0.1 -0.075 41.7 176.6 -41.3 133.7 10.6 -3.4 3.4 11 11 A R - 0 0 207 1,-0.4 2,-0.3 48,-0.1 -1,-0.2 0.480 64.2 -14.5-119.2 -11.8 12.8 -6.3 2.2 12 12 A S S > S- 0 0 52 1,-0.1 4,-2.1 51,-0.1 -1,-0.4 -0.982 82.9 -77.3-174.2 175.9 10.7 -7.3 -0.9 13 13 A I H > S+ 0 0 52 -2,-0.3 4,-2.4 1,-0.2 5,-0.4 0.951 127.9 57.2 -56.6 -45.7 7.3 -6.8 -2.5 14 14 A S H > S+ 0 0 58 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.940 105.2 51.7 -50.8 -45.4 5.9 -9.3 -0.0 15 15 A D H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.933 106.8 54.1 -57.9 -43.3 7.1 -7.0 2.7 16 16 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.3 5,-0.3 0.978 112.3 41.4 -55.2 -56.5 5.3 -4.1 1.0 17 17 A H H X S+ 0 0 12 -4,-2.4 4,-1.6 1,-0.2 -1,-0.3 0.740 110.3 64.2 -64.5 -18.6 2.0 -5.9 0.9 18 18 A Q H X S+ 0 0 115 -4,-1.6 4,-2.1 -5,-0.4 -2,-0.2 0.979 107.7 36.0 -70.2 -55.2 2.9 -7.0 4.5 19 19 A T H X S+ 0 0 42 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.935 117.5 53.5 -65.2 -41.3 2.9 -3.6 6.0 20 20 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 5,-0.3 0.903 108.1 52.9 -59.0 -35.8 -0.0 -2.6 3.8 21 21 A K H X>S+ 0 0 78 -4,-1.6 5,-1.5 -5,-0.3 4,-0.6 0.915 111.4 44.2 -66.9 -42.1 -1.8 -5.7 5.1 22 22 A K H <5S+ 0 0 177 -4,-2.1 -2,-0.2 3,-0.2 -3,-0.1 0.993 120.2 39.8 -67.3 -57.4 -1.2 -4.6 8.7 23 23 A E H <5S+ 0 0 65 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.986 124.9 37.7 -52.3 -66.1 -2.2 -1.0 8.2 24 24 A L H <5S- 0 0 8 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.680 104.4-138.4 -61.2 -14.8 -5.1 -1.9 5.9 25 25 A A T <5 - 0 0 63 -4,-0.6 -3,-0.2 -5,-0.3 -4,-0.2 0.947 32.7-172.8 55.0 47.6 -5.7 -4.9 8.2 26 26 A L < - 0 0 9 -5,-1.5 -1,-0.1 -6,-0.2 4,-0.1 -0.276 28.8 -88.3 -69.5 161.1 -6.3 -7.1 5.1 27 27 A P > - 0 0 18 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.135 42.3 -99.3 -57.4-179.7 -7.5 -10.6 5.5 28 28 A E T 3 S+ 0 0 189 1,-0.2 -2,-0.1 -3,-0.1 -7,-0.0 0.714 123.6 58.2 -79.9 -18.5 -5.1 -13.5 6.0 29 29 A Y T 3 S+ 0 0 171 2,-0.0 -1,-0.2 3,-0.0 -3,-0.0 0.276 71.5 159.2 -93.5 13.8 -5.4 -14.4 2.3 30 30 A Y < - 0 0 20 -3,-0.9 -9,-0.1 1,-0.2 7,-0.1 -0.088 34.8-151.8 -38.4 105.9 -4.3 -10.9 1.2 31 31 A G - 0 0 25 1,-0.2 -1,-0.2 2,-0.1 5,-0.1 0.584 14.6-148.0 -64.0 -5.5 -3.2 -11.8 -2.4 32 32 A E + 0 0 71 -15,-0.1 -1,-0.2 1,-0.1 -15,-0.1 0.533 59.2 118.6 50.1 3.6 -0.7 -8.9 -2.0 33 33 A N S > S- 0 0 87 1,-0.1 4,-2.1 -16,-0.1 5,-0.3 -0.245 83.5-105.6 -84.8-176.0 -1.2 -8.3 -5.8 34 34 A L H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.879 122.2 52.6 -76.7 -36.9 -2.6 -5.1 -7.3 35 35 A D H > S+ 0 0 125 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.864 117.0 38.0 -66.2 -36.2 -5.9 -6.9 -8.0 36 36 A A H > S+ 0 0 16 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.958 115.3 50.2 -80.8 -55.9 -6.2 -8.1 -4.4 37 37 A L H >X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-0.7 0.945 117.0 44.5 -45.1 -50.8 -4.8 -5.0 -2.7 38 38 A W H 3X S+ 0 0 53 -4,-2.2 4,-2.5 -5,-0.3 5,-0.4 0.981 104.5 59.7 -58.5 -56.4 -7.3 -3.0 -4.8 39 39 A D H 3< S+ 0 0 105 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.812 108.4 50.8 -44.0 -26.1 -10.1 -5.5 -4.1 40 40 A C H X<>S+ 0 0 11 -4,-1.9 5,-1.8 -3,-0.7 3,-1.3 0.948 110.2 44.4 -79.7 -51.4 -9.4 -4.4 -0.6 41 41 A L H ><5S+ 0 0 4 -4,-2.1 3,-0.5 1,-0.3 -2,-0.2 0.950 117.0 45.6 -58.8 -49.5 -9.5 -0.6 -1.1 42 42 A T T 3<5S+ 0 0 57 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.445 137.1 10.0 -75.7 3.9 -12.7 -0.8 -3.2 43 43 A G T < 5S+ 0 0 54 -3,-1.3 -1,-0.2 -5,-0.4 -2,-0.2 -0.002 130.8 26.0-177.1 60.5 -14.3 -3.2 -0.7 44 44 A W T < 5S+ 0 0 127 1,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 -0.122 87.7 83.5 177.1 -66.6 -12.5 -3.8 2.6 45 45 A V S S+ 0 0 57 34,-0.5 4,-1.0 -2,-0.3 -1,-0.2 0.977 75.3 172.3 49.9 68.7 11.1 5.7 1.3 56 56 A F T >4 S+ 0 0 40 33,-0.7 3,-0.7 -3,-0.3 11,-0.2 0.990 74.6 35.2 -73.9 -66.7 9.0 5.2 -1.9 57 57 A E T >> S+ 0 0 149 1,-0.3 4,-1.8 2,-0.2 3,-1.5 0.885 118.0 56.0 -56.2 -35.2 11.8 4.8 -4.6 58 58 A Q H 3> S+ 0 0 131 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.870 110.1 44.4 -66.4 -32.2 13.8 2.9 -1.9 59 59 A S H << S+ 0 0 0 -4,-1.0 8,-0.7 -3,-0.7 -1,-0.3 0.203 110.8 59.4 -94.7 17.7 10.8 0.6 -1.5 60 60 A K H <4>S+ 0 0 69 -3,-1.5 6,-1.1 6,-0.2 5,-0.6 0.721 102.9 45.3-111.5 -38.1 10.5 0.3 -5.3 61 61 A Q H ><5S+ 0 0 163 -4,-1.8 3,-1.6 1,-0.2 -2,-0.1 0.992 101.0 62.9 -70.6 -62.9 14.0 -1.0 -6.3 62 62 A L T 3<5S+ 0 0 75 -4,-0.8 -49,-0.2 1,-0.3 -1,-0.2 0.779 118.8 32.6 -33.5 -32.0 14.4 -3.8 -3.7 63 63 A T T 3 5S- 0 0 19 -51,-0.2 -1,-0.3 -3,-0.1 3,-0.1 -0.471 103.0-130.4-128.6 62.6 11.3 -5.3 -5.4 64 64 A E T < 5S+ 0 0 176 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.326 96.9 3.8 -12.4 107.0 11.7 -4.2 -9.0 65 65 A N S S+ 0 0 1 -6,-1.1 4,-1.1 -3,-0.1 3,-0.4 0.939 72.3 21.6 -89.1 -69.2 7.2 -3.3 -6.2 67 67 A A H > S+ 0 0 0 -8,-0.7 4,-1.6 1,-0.2 5,-0.2 0.716 111.9 68.3 -77.8 -21.6 6.0 -0.1 -4.6 68 68 A E H > S+ 0 0 97 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.795 103.2 48.0 -71.3 -21.9 5.1 1.9 -7.8 69 69 A S H > S+ 0 0 21 -3,-0.4 4,-2.0 2,-0.2 5,-0.2 0.956 108.6 48.6 -81.4 -55.3 2.2 -0.6 -8.4 70 70 A V H X S+ 0 0 0 -4,-1.1 4,-1.9 1,-0.2 3,-0.2 0.931 112.0 52.4 -52.0 -43.2 0.5 -0.7 -5.0 71 71 A L H X S+ 0 0 20 -4,-1.6 4,-2.7 1,-0.2 5,-0.4 0.949 103.5 56.7 -59.2 -45.3 0.7 3.1 -5.0 72 72 A Q H X S+ 0 0 111 -4,-1.1 4,-2.1 1,-0.3 -1,-0.2 0.891 109.3 47.4 -52.7 -38.1 -1.0 3.1 -8.4 73 73 A V H X S+ 0 0 7 -4,-2.0 4,-2.1 -3,-0.2 -1,-0.3 0.830 110.4 51.0 -75.0 -30.8 -3.8 1.2 -6.8 74 74 A F H X S+ 0 0 0 -4,-1.9 4,-1.6 -3,-0.3 -2,-0.2 0.881 116.9 39.6 -74.7 -35.0 -4.0 3.5 -3.8 75 75 A R H X S+ 0 0 148 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.874 115.3 52.1 -80.2 -37.3 -4.3 6.6 -6.0 76 76 A E H X S+ 0 0 105 -4,-2.1 4,-1.6 -5,-0.4 3,-0.2 0.958 112.5 45.1 -63.3 -46.7 -6.5 4.8 -8.5 77 77 A A H <>S+ 0 0 0 -4,-2.1 5,-1.4 1,-0.3 4,-0.4 0.931 109.5 55.9 -62.6 -38.8 -8.8 3.9 -5.6 78 78 A K H ><5S+ 0 0 96 -4,-1.6 3,-0.7 1,-0.3 -1,-0.3 0.859 107.6 50.2 -58.4 -30.9 -8.4 7.5 -4.5 79 79 A A H 3<5S+ 0 0 74 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.3 0.788 94.7 70.7 -77.3 -28.8 -9.7 8.2 -7.9 80 80 A E T 3<5S- 0 0 124 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.585 129.3 -91.6 -65.8 -6.6 -12.6 5.8 -7.4 81 81 A G T < 5S+ 0 0 67 -3,-0.7 -3,-0.2 -4,-0.4 -2,-0.1 0.209 87.8 133.5 113.3 -14.1 -14.0 8.4 -5.0 82 82 A C < - 0 0 37 -5,-1.4 2,-0.6 -6,-0.2 -1,-0.3 -0.209 60.3-126.0 -63.9 160.5 -12.3 6.9 -1.9 83 83 A D + 0 0 83 -3,-0.1 -34,-1.3 2,-0.1 2,-1.2 -0.492 47.3 152.7-109.3 65.3 -10.5 9.3 0.4 84 84 A I E -b 49 0A 0 -2,-0.6 2,-0.7 -36,-0.2 -34,-0.2 -0.688 39.5-144.7 -94.3 87.9 -7.0 7.7 0.7 85 85 A T E -b 50 0A 59 -36,-2.0 -34,-2.5 -2,-1.2 2,-0.6 -0.284 15.8-146.8 -52.9 98.9 -4.8 10.7 1.4 86 86 A I E -b 51 0A 28 -2,-0.7 2,-0.7 -36,-0.2 -34,-0.1 -0.577 18.1-174.3 -73.4 114.6 -1.7 9.7 -0.6 87 87 A I E -b 52 0A 58 -36,-2.0 -34,-1.9 -2,-0.6 2,-0.8 -0.865 2.5-173.3-114.2 101.2 1.3 11.0 1.3 88 88 A L E b 53 0A 75 -2,-0.7 -34,-0.2 -36,-0.2 -36,-0.1 -0.800 360.0 360.0 -96.8 106.7 4.6 10.3 -0.7 89 89 A S 0 0 121 -36,-2.4 -33,-0.7 -2,-0.8 -34,-0.5 -0.879 360.0 360.0-109.0 360.0 7.6 11.3 1.4