==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RIBONUCLEASE INHIBITOR 04-FEB-97 1AB7 . COMPND 2 MOLECULE: BARSTAR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR K.B.WONG,A.R.FERSHT,S.M.V.FREUND . 89 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 11.2 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 . 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 . 12 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.4 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 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 0 134 0, 0.0 49,-1.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-176.2 -7.4 4.1 9.1 2 2 A K E -a 50 0A 109 47,-0.3 2,-0.2 21,-0.2 49,-0.2 -0.820 360.0-171.8-133.4 98.4 -3.8 5.2 8.9 3 3 A A E -a 51 0A 0 47,-0.7 49,-2.2 -2,-0.4 2,-0.4 -0.567 5.1-165.9 -85.5 151.6 -1.5 3.0 6.8 4 4 A V E -a 52 0A 20 15,-0.3 2,-0.7 -2,-0.2 49,-0.2 -0.949 11.1-154.9-143.7 122.5 2.3 3.8 6.9 5 5 A I E -a 53 0A 0 47,-2.0 49,-1.6 -2,-0.4 2,-0.8 -0.834 9.5-169.9 -97.4 117.9 5.0 2.5 4.5 6 6 A N >> + 0 0 61 -2,-0.7 3,-1.9 48,-0.2 4,-1.9 -0.773 12.1 176.0-109.7 90.8 8.4 2.4 6.1 7 7 A G T 34 S+ 0 0 4 -2,-0.8 -1,-0.1 1,-0.3 49,-0.1 0.644 75.8 76.6 -68.1 -8.5 11.0 1.8 3.3 8 8 A E T 34 S+ 0 0 153 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.723 111.5 22.9 -74.1 -17.1 13.6 2.2 6.1 9 9 A Q T <4 S+ 0 0 143 -3,-1.9 2,-0.8 3,-0.0 -2,-0.2 0.571 95.1 106.9-119.6 -20.8 12.7 -1.3 7.3 10 10 A I < - 0 0 9 -4,-1.9 3,-0.1 1,-0.2 49,-0.0 -0.442 44.2-176.8 -63.1 106.3 11.2 -2.8 4.1 11 11 A R S S- 0 0 202 -2,-0.8 2,-0.3 1,-0.2 48,-0.2 0.938 70.4 -15.7 -71.6 -43.4 14.0 -5.2 3.0 12 12 A S S >> S- 0 0 58 -3,-0.1 3,-1.6 46,-0.1 4,-1.1 -0.923 85.3 -81.8-149.4 172.5 12.0 -6.1 -0.2 13 13 A I H 3> S+ 0 0 26 -2,-0.3 4,-2.4 1,-0.3 5,-0.3 0.796 120.9 76.9 -53.2 -20.7 8.5 -5.7 -1.5 14 14 A S H 3> S+ 0 0 72 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.947 96.1 43.2 -55.7 -46.4 7.9 -8.8 0.6 15 15 A D H <> S+ 0 0 35 -3,-1.6 4,-1.8 1,-0.2 -1,-0.3 0.770 109.0 62.5 -71.2 -20.8 7.8 -6.7 3.8 16 16 A L H >X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 3,-0.7 0.986 99.0 50.2 -67.5 -56.2 5.7 -4.2 1.8 17 17 A H H 3X S+ 0 0 43 -4,-2.4 4,-1.7 1,-0.3 -1,-0.2 0.824 113.0 50.7 -52.1 -27.7 2.8 -6.6 1.3 18 18 A Q H 3X S+ 0 0 100 -4,-0.9 4,-1.3 -5,-0.3 -1,-0.3 0.845 106.5 52.4 -80.3 -33.6 3.1 -7.1 5.0 19 19 A T H S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 5,-0.6 0.869 116.3 51.2 -81.2 -36.8 -0.1 -3.0 3.8 21 21 A K H <>S+ 0 0 50 -4,-1.7 5,-0.9 -5,-0.4 -2,-0.2 0.760 114.4 46.4 -70.3 -21.2 -1.5 -6.3 5.1 22 22 A K H <5S+ 0 0 165 -4,-1.3 -2,-0.2 3,-0.2 -1,-0.2 0.892 121.1 33.5 -87.5 -44.9 -0.7 -5.0 8.6 23 23 A E H <5S+ 0 0 55 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.967 126.0 40.3 -75.8 -53.7 -2.2 -1.5 8.3 24 24 A L T <5S- 0 0 5 -4,-1.9 -3,-0.2 -5,-0.3 -1,-0.2 0.797 106.6-133.0 -65.2 -24.5 -5.1 -2.3 6.0 25 25 A A T < - 0 0 55 -5,-0.6 -3,-0.2 1,-0.1 -4,-0.2 0.968 35.3-176.0 72.0 51.9 -5.5 -5.5 8.0 26 26 A L < - 0 0 14 -5,-0.9 -1,-0.1 -6,-0.3 11,-0.0 -0.349 22.8-109.1 -78.9 164.6 -5.8 -7.9 5.0 27 27 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.104 35.4 -92.8 -78.1-166.6 -6.5 -11.6 5.4 28 28 A E S S+ 0 0 164 1,-0.2 -2,-0.1 3,-0.0 -7,-0.0 0.910 123.1 52.6 -80.6 -45.0 -4.1 -14.5 4.8 29 29 A Y S S+ 0 0 181 2,-0.0 -1,-0.2 7,-0.0 7,-0.0 0.594 77.3 148.0 -68.9 -5.0 -5.0 -15.2 1.1 30 30 A Y - 0 0 3 1,-0.2 7,-0.1 2,-0.1 -9,-0.0 0.022 51.0-139.3 -31.8 115.4 -4.3 -11.5 0.5 31 31 A G - 0 0 24 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.840 21.3-143.0 -55.3 -29.8 -3.0 -11.5 -3.0 32 32 A E + 0 0 79 1,-0.3 2,-0.2 -15,-0.1 -15,-0.1 0.912 66.1 86.6 68.1 39.7 -0.4 -8.9 -1.9 33 33 A N S > S- 0 0 52 -16,-0.1 4,-1.9 36,-0.1 5,-0.3 -0.787 100.9 -76.9-149.2-167.7 -0.6 -7.1 -5.2 34 34 A L H > S+ 0 0 66 -2,-0.2 4,-1.0 3,-0.2 5,-0.2 0.712 126.0 55.3 -75.7 -16.3 -2.6 -4.3 -7.0 35 35 A D H > S+ 0 0 81 3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.951 117.4 30.0 -80.9 -51.9 -5.4 -6.9 -7.6 36 36 A A H > S+ 0 0 22 2,-0.2 4,-1.4 3,-0.2 -2,-0.2 0.871 124.8 49.5 -75.4 -33.5 -6.0 -8.0 -4.0 37 37 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.5 0.975 114.1 43.4 -68.5 -52.1 -5.0 -4.6 -2.6 38 38 A W H X S+ 0 0 71 -4,-1.0 4,-1.9 -5,-0.3 -2,-0.2 0.930 113.9 52.9 -58.8 -39.8 -7.3 -2.7 -5.0 39 39 A D H < S+ 0 0 108 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.830 115.5 42.5 -64.9 -27.9 -9.9 -5.4 -4.2 40 40 A A H >X>S+ 0 0 5 -4,-1.4 3,-1.6 -3,-0.4 4,-0.8 0.961 115.1 43.0 -81.5 -71.3 -9.2 -4.5 -0.5 41 41 A L H ><5S+ 0 0 0 -4,-2.4 2,-1.2 1,-0.3 3,-0.6 0.911 117.4 50.8 -39.5 -51.1 -9.0 -0.7 -0.5 42 42 A T T 3<5S+ 0 0 56 -4,-1.9 -1,-0.3 -5,-0.5 -2,-0.1 -0.147 138.8 0.3 -83.0 45.6 -12.0 -0.7 -2.8 43 43 A G T <45S+ 0 0 63 -3,-1.6 -2,-0.2 -2,-1.2 -1,-0.2 0.516 133.7 40.6 143.6 37.9 -13.9 -3.0 -0.5 44 44 A W T <<5S+ 0 0 108 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.173 88.4 76.9-165.2 -55.6 -11.9 -4.0 2.7 45 45 A V S > S+ 0 0 149 3,-0.1 3,-1.7 2,-0.1 4,-1.5 0.986 84.8 67.3 -75.5 -67.2 12.3 4.9 -3.0 58 58 A Q T 34 S+ 0 0 54 1,-0.3 -46,-0.1 2,-0.2 -48,-0.1 -0.194 110.6 20.1 -52.8 144.4 13.7 1.7 -1.3 59 59 A S T 34 S+ 0 0 0 -48,-0.2 8,-0.4 1,-0.1 7,-0.3 0.025 116.2 72.8 83.5 -31.9 11.6 -1.4 -2.1 60 60 A K T X4 S+ 0 0 44 -3,-1.7 3,-0.9 -4,-0.2 6,-0.3 0.940 105.0 31.4 -80.5 -49.7 10.3 0.4 -5.2 61 61 A Q T 3< S+ 0 0 139 -4,-1.5 -1,-0.1 1,-0.2 -3,-0.1 0.688 108.8 72.1 -80.5 -16.2 13.4 0.2 -7.4 62 62 A L T 3 S+ 0 0 93 -5,-0.4 -1,-0.2 2,-0.0 -2,-0.2 0.520 112.6 22.1 -75.8 -1.9 14.3 -3.1 -5.6 63 63 A T S < S- 0 0 48 -3,-0.9 -3,-0.1 -51,-0.1 -4,-0.0 -0.363 91.3-102.2-135.8-143.2 11.5 -4.7 -7.6 64 64 A E S S- 0 0 124 -2,-0.1 -4,-0.1 0, 0.0 -3,-0.0 0.590 96.3 -25.8-126.0 -27.6 9.6 -3.8 -10.8 65 65 A N S S+ 0 0 55 3,-0.0 4,-0.3 -3,-0.0 5,-0.2 0.156 92.6 118.8 179.9 38.7 6.3 -2.3 -9.6 66 66 A G S > S+ 0 0 7 -6,-0.3 4,-2.3 -7,-0.3 5,-0.3 0.961 90.8 27.1 -80.9 -57.0 5.4 -3.6 -6.1 67 67 A A H > S+ 0 0 0 -8,-0.4 4,-1.5 1,-0.2 5,-0.2 0.921 122.8 53.1 -72.1 -41.5 5.4 -0.4 -4.2 68 68 A E H > S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.766 112.9 47.9 -65.2 -20.7 4.5 1.7 -7.3 69 69 A S H > S+ 0 0 2 -4,-0.3 4,-2.2 2,-0.2 5,-0.3 0.944 106.4 50.2 -86.1 -54.3 1.6 -0.7 -7.8 70 70 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.3 -2,-0.2 0.866 117.1 48.8 -51.2 -28.2 0.1 -0.8 -4.3 71 71 A L H X>S+ 0 0 6 -4,-1.5 4,-2.5 -5,-0.3 5,-0.6 0.931 100.3 58.3 -79.7 -45.3 0.3 2.9 -4.8 72 72 A Q H X5S+ 0 0 72 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.876 116.1 42.0 -51.6 -28.6 -1.3 3.0 -8.2 73 73 A V H X5S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.926 110.1 52.1 -84.1 -49.2 -4.2 1.4 -6.3 74 74 A F H >X5S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 3,-0.7 0.978 118.7 39.5 -51.4 -54.5 -4.1 3.4 -3.1 75 75 A R H 3X5S+ 0 0 123 -4,-2.5 4,-1.7 1,-0.3 -1,-0.2 0.922 109.4 60.6 -61.5 -42.5 -4.3 6.5 -5.2 76 76 A E H 3X