==== 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 ENDONUCLEASE 31-MAR-95 1BNG . COMPND 2 MOLECULE: BARNASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR J.CLARKE,K.HENRICK,A.R.FERSHT . 322 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 17.7 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 . 3 0.9 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 . 10 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 3 0 1 2 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 . 0 3 3 3 3 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 . 3 0 0 3 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 3 A V 0 0 129 0, 0.0 2,-0.8 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 128.5 19.0 39.2 40.5 2 4 A I + 0 0 63 1,-0.1 19,-0.1 5,-0.1 0, 0.0 -0.905 360.0 139.4 -97.2 103.4 20.3 42.5 41.8 3 5 A N + 0 0 27 -2,-0.8 72,-3.0 71,-0.1 2,-0.3 0.130 32.7 106.0-135.4 19.5 20.8 44.7 38.7 4 6 A T S > S- 0 0 70 70,-0.2 4,-3.1 71,-0.1 5,-0.4 -0.714 76.8-115.3-100.1 156.5 19.6 48.2 39.7 5 7 A F H > S+ 0 0 26 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.891 118.1 39.4 -54.3 -44.8 21.9 51.2 40.4 6 8 A D H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.905 114.6 52.8 -73.4 -44.2 20.7 51.3 44.1 7 9 A G H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.937 116.2 38.0 -56.1 -53.2 20.6 47.5 44.5 8 10 A V H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.896 114.4 55.1 -69.8 -40.3 24.2 47.0 43.3 9 11 A A H X S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.4 -2,-0.2 0.923 112.0 43.0 -58.5 -47.4 25.6 50.2 45.0 10 12 A D H X S+ 0 0 79 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.849 113.1 54.0 -68.9 -35.6 24.3 49.1 48.4 11 13 A Y H X S+ 0 0 50 -4,-1.8 4,-2.4 -5,-0.3 5,-0.4 0.882 108.3 49.1 -65.4 -42.9 25.5 45.5 47.8 12 14 A L H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.785 107.8 52.1 -66.1 -35.6 29.0 46.7 47.0 13 15 A Q H < S+ 0 0 69 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.760 119.5 35.2 -74.4 -28.1 29.5 48.9 50.0 14 16 A T H < S+ 0 0 82 -4,-1.0 -2,-0.2 -3,-0.3 -3,-0.1 0.896 131.3 24.8 -89.6 -58.2 28.5 46.2 52.4 15 17 A Y H < S- 0 0 138 -4,-2.4 -3,-0.2 2,-0.3 -2,-0.1 0.555 91.0-135.8 -91.5 -13.7 29.8 42.9 50.9 16 18 A H S < S+ 0 0 101 -4,-0.8 2,-0.3 -5,-0.4 -4,-0.2 0.820 76.0 71.8 59.7 38.1 32.6 44.4 48.9 17 19 A K S S- 0 0 127 -6,-0.3 -2,-0.3 0, 0.0 -1,-0.2 -0.932 87.5 -91.9-169.0 161.7 31.8 42.3 45.8 18 20 A L - 0 0 24 -2,-0.3 -10,-0.0 1,-0.1 32,-0.0 -0.365 50.6 -91.0 -79.5 161.4 29.1 42.2 43.1 19 21 A P > - 0 0 6 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.297 45.9 -98.1 -67.3 165.8 26.0 40.0 43.5 20 22 A D T 3 S+ 0 0 128 1,-0.3 -2,-0.0 -3,-0.1 27,-0.0 0.553 113.1 75.5 -64.3 -15.7 26.2 36.5 42.0 21 23 A N T 3 S+ 0 0 12 -19,-0.1 27,-2.4 26,-0.1 2,-0.4 0.431 78.8 97.1 -80.9 3.9 24.5 37.4 38.7 22 24 A Y E < +a 48 0A 20 -3,-1.4 2,-0.3 25,-0.2 27,-0.2 -0.765 45.3 172.1-100.4 144.2 27.7 39.1 37.5 23 25 A I E -a 49 0A 19 25,-2.1 27,-2.0 -2,-0.4 29,-0.1 -0.973 31.4-113.8-141.6 146.0 30.3 37.5 35.2 24 26 A T > - 0 0 30 -2,-0.3 4,-2.7 25,-0.2 5,-0.2 -0.287 31.4-105.8 -78.4 164.8 33.2 39.1 33.5 25 27 A K H > S+ 0 0 74 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.895 120.9 49.3 -58.3 -45.1 33.6 39.5 29.8 26 28 A S H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.873 111.8 50.3 -64.5 -36.1 36.2 36.7 29.5 27 29 A E H > S+ 0 0 100 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.951 111.9 46.9 -63.3 -48.5 33.9 34.5 31.5 28 30 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 3,-0.7 0.906 110.9 53.0 -58.9 -45.1 31.0 35.3 29.3 29 31 A Q H ><5S+ 0 0 120 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.859 104.2 55.7 -60.1 -37.8 33.2 34.7 26.2 30 32 A A H 3<5S+ 0 0 88 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.751 103.6 55.1 -66.4 -27.4 34.2 31.3 27.5 31 33 A L T <<5S- 0 0 98 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.304 130.4 -93.9 -87.6 3.1 30.5 30.4 27.7 32 34 A G T < 5 + 0 0 37 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.721 65.7 165.0 90.4 26.7 30.0 31.2 24.0 33 35 A W < - 0 0 23 -5,-2.0 2,-0.6 -8,-0.1 -1,-0.3 -0.644 18.0-165.1 -73.5 127.9 28.9 34.9 24.4 34 36 A V >>> - 0 0 53 -2,-0.4 3,-1.6 1,-0.2 5,-1.0 -0.975 9.7-155.8-118.9 110.7 29.1 36.6 21.0 35 37 A A G >45S+ 0 0 55 -2,-0.6 3,-1.4 1,-0.3 46,-0.2 0.878 91.3 55.1 -51.1 -48.1 28.9 40.4 21.4 36 38 A S G 345S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 44,-0.1 0.559 109.7 46.5 -65.4 -12.5 27.7 41.0 17.8 37 39 A K G <45S- 0 0 147 -3,-1.6 -1,-0.3 42,-0.1 -2,-0.2 0.386 97.9-134.4-109.2 -3.6 24.8 38.6 18.3 38 40 A G T <<5 + 0 0 13 -3,-1.4 41,-0.4 -4,-0.5 3,-0.3 0.846 54.9 144.4 51.2 43.6 23.6 39.9 21.6 39 41 A N >>< + 0 0 25 -5,-1.0 4,-1.5 1,-0.2 3,-1.2 0.222 19.4 115.9 -98.7 12.4 23.2 36.4 23.0 40 42 A L H 3> S+ 0 0 0 39,-0.4 4,-3.0 1,-0.3 3,-0.3 0.875 77.1 53.3 -47.7 -50.4 24.2 36.7 26.6 41 43 A A H 34 S+ 0 0 27 -3,-0.3 -1,-0.3 38,-0.2 -2,-0.1 0.820 109.1 52.4 -55.6 -31.5 20.8 35.7 28.0 42 44 A D H <4 S+ 0 0 136 -3,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.875 119.5 30.5 -71.8 -43.2 21.0 32.6 25.8 43 45 A V H < S+ 0 0 44 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.684 135.9 24.4 -90.8 -23.8 24.4 31.3 27.0 44 46 A A S >< S- 0 0 8 -4,-3.0 3,-2.1 -5,-0.3 -1,-0.2 -0.588 83.5-155.2-146.0 70.8 24.3 32.7 30.6 45 47 A P T 3 S+ 0 0 96 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.227 77.1 8.3 -51.3 132.4 20.6 33.1 31.6 46 48 A G T 3 S+ 0 0 47 31,-0.3 2,-0.3 1,-0.2 -5,-0.1 0.423 103.3 118.6 73.7 1.5 20.0 35.7 34.3 47 49 A K < - 0 0 74 -3,-2.1 2,-0.3 -7,-0.2 -1,-0.2 -0.682 43.2-165.3-101.5 155.3 23.6 37.0 34.2 48 50 A S E -a 22 0A 4 -27,-2.4 -25,-2.1 -2,-0.3 2,-0.4 -0.876 33.0 -97.8-128.4 159.4 25.0 40.4 33.4 49 51 A I E +a 23 0A 1 -2,-0.3 24,-2.9 -27,-0.2 2,-0.3 -0.714 62.5 133.3 -78.7 133.2 28.5 41.5 32.5 50 52 A G E +B 72 0B 3 -27,-2.0 22,-0.3 -2,-0.4 -2,-0.0 -0.928 31.1 59.0-176.8 152.7 30.4 43.0 35.5 51 53 A G E + 0 0 18 20,-3.5 2,-0.2 1,-0.3 21,-0.2 0.348 64.1 134.7 104.5 -2.9 33.6 43.0 37.5 52 54 A D E -B 71 0B 30 19,-0.6 19,-2.3 -29,-0.1 -1,-0.3 -0.510 62.3-101.0 -83.8 150.3 36.1 44.1 34.8 53 55 A I E -B 70 0B 101 17,-0.2 2,-0.6 -2,-0.2 17,-0.3 -0.465 29.3-147.7 -63.8 132.4 38.7 46.7 35.4 54 56 A F - 0 0 36 15,-2.8 15,-0.5 -2,-0.1 -1,-0.1 -0.962 5.0-147.9-112.7 118.2 37.9 50.1 34.0 55 57 A S - 0 0 112 -2,-0.6 -1,-0.1 1,-0.1 4,-0.1 0.791 10.4-148.8 -52.4 -41.2 41.0 51.9 32.8 56 58 A N > + 0 0 24 2,-0.1 3,-1.6 3,-0.0 -1,-0.1 0.899 34.2 165.1 60.0 42.5 39.9 55.5 33.6 57 59 A R T 3 + 0 0 76 1,-0.3 -1,-0.0 2,-0.1 -3,-0.0 0.903 68.1 47.4 -52.7 -49.5 42.0 56.5 30.6 58 60 A E T 3 S- 0 0 82 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.271 108.5-123.0 -81.7 10.0 40.6 60.0 30.2 59 61 A G < + 0 0 52 -3,-1.6 4,-0.2 1,-0.1 -2,-0.1 0.775 66.1 140.5 51.0 35.0 40.9 60.6 33.9 60 62 A K + 0 0 115 2,-0.1 44,-0.1 41,-0.1 -1,-0.1 0.733 58.3 63.5 -76.6 -23.3 37.1 61.4 34.2 61 63 A L S S- 0 0 3 1,-0.1 2,-0.1 -5,-0.1 8,-0.0 -0.821 108.0 -86.8-103.3 144.4 36.9 59.5 37.5 62 64 A P - 0 0 49 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 -0.286 51.9-149.9 -52.1 116.2 38.7 60.7 40.6 63 65 A G + 0 0 55 -4,-0.2 2,-0.3 -2,-0.1 5,-0.1 -0.277 22.2 168.6 -84.9 172.3 42.2 59.1 40.4 64 66 A K > - 0 0 131 3,-0.3 3,-1.5 -2,-0.1 2,-0.4 -0.869 44.9 -94.7-176.3 147.3 44.5 58.1 43.2 65 67 A S T 3 S+ 0 0 126 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.588 116.1 13.3 -72.3 123.9 47.7 56.1 43.6 66 68 A G T 3 S+ 0 0 75 -2,-0.4 2,-0.6 1,-0.3 -1,-0.3 0.484 95.6 126.2 88.7 0.4 46.5 52.6 44.4 67 69 A R < - 0 0 48 -3,-1.5 2,-0.4 23,-0.1 -3,-0.3 -0.843 41.9-162.7 -96.5 126.2 42.8 53.2 43.6 68 70 A T - 0 0 52 -2,-0.6 22,-1.4 -3,-0.1 2,-0.4 -0.914 3.8-151.6-110.4 137.4 41.3 50.7 41.1 69 71 A W E + C 0 89B 11 -15,-0.5 -15,-2.8 -2,-0.4 2,-0.3 -0.869 15.8 177.5-109.9 138.5 38.1 51.2 39.2 70 72 A R E -BC 53 88B 99 18,-2.7 18,-2.2 -2,-0.4 2,-0.3 -0.888 12.1-146.5-132.3 163.3 35.8 48.4 38.0 71 73 A E E -BC 52 87B 10 -19,-2.3 -20,-3.5 -2,-0.3 -19,-0.6 -0.863 10.6-171.7-132.4 164.4 32.5 48.4 36.2 72 74 A A E -BC 50 86B 0 14,-1.4 14,-2.7 -22,-0.3 -22,-0.3 -0.964 30.6-109.1-154.9 144.2 29.3 46.4 36.0 73 75 A D E - C 0 85B 0 -24,-2.9 2,-0.3 -2,-0.3 12,-0.3 -0.519 32.6-156.0 -75.4 143.3 26.3 46.6 33.7 74 76 A I + 0 0 0 10,-1.5 10,-0.3 -2,-0.2 8,-0.2 -0.908 66.5 12.2-123.0 148.6 23.0 47.9 35.1 75 77 A N S S+ 0 0 72 -72,-3.0 2,-0.4 -2,-0.3 -1,-0.1 0.584 83.6 149.9 63.3 19.3 19.4 47.3 34.0 76 78 A Y + 0 0 9 -73,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.701 11.0 148.3 -86.9 136.3 20.4 44.4 31.7 77 79 A T - 0 0 110 1,-0.5 -31,-0.3 -2,-0.4 2,-0.3 0.638 65.2 -30.9-127.9 -47.9 17.9 41.5 31.1 78 80 A S S S+ 0 0 76 2,-0.2 -1,-0.5 -33,-0.1 2,-0.1 -0.966 95.0 38.2-163.9 172.7 18.5 40.2 27.5 79 81 A G S S- 0 0 31 -41,-0.4 -39,-0.4 -2,-0.3 -38,-0.2 -0.405 101.9 -4.8 79.3-154.3 19.6 41.2 24.0 80 82 A F S S- 0 0 141 -2,-0.1 -2,-0.2 1,-0.1 -44,-0.1 -0.340 84.8 -96.7 -69.6 151.8 22.4 43.7 23.3 81 83 A R - 0 0 66 -46,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.318 37.6-138.1 -67.8 157.9 24.0 45.5 26.2 82 84 A N - 0 0 46 -8,-0.2 -1,-0.1 2,-0.2 17,-0.1 -0.234 26.2-101.9-100.1-166.8 22.7 49.0 27.1 83 85 A a S S+ 0 0 51 15,-0.2 17,-1.9 -2,-0.1 2,-0.4 0.231 82.5 114.9-110.6 13.5 24.8 52.0 28.0 84 86 A D + 0 0 31 -10,-0.3 -10,-1.5 14,-0.2 2,-0.3 -0.693 37.6 159.5 -86.2 126.7 24.0 51.8 31.8 85 87 A R E -CD 73 97B 12 12,-2.4 12,-1.8 -2,-0.4 2,-0.4 -0.996 32.7-141.8-149.2 149.5 27.0 51.0 34.0 86 88 A I E -CD 72 96B 0 -14,-2.7 -14,-1.4 -2,-0.3 2,-0.5 -0.917 16.6-155.1-111.1 139.6 28.1 51.4 37.6 87 89 A L E +CD 71 95B 0 8,-3.0 8,-3.2 -2,-0.4 2,-0.4 -0.978 14.8 177.9-123.4 120.8 31.6 52.4 38.5 88 90 A Y E -CD 70 94B 17 -18,-2.2 -18,-2.7 -2,-0.5 6,-0.2 -0.964 13.4-149.3-127.7 139.4 33.1 51.4 41.8 89 91 A S E > -C 69 0B 1 4,-1.7 3,-1.7 -2,-0.4 -20,-0.2 -0.510 34.7-102.8 -99.8 168.5 36.6 52.0 43.2 90 92 A S T 3 S+ 0 0 57 -22,-1.4 -21,-0.1 1,-0.3 -23,-0.1 0.756 124.1 52.5 -63.6 -22.5 38.7 50.0 45.6 91 93 A D T 3 S- 0 0 59 -23,-0.2 -1,-0.3 2,-0.1 -24,-0.0 0.039 122.9-106.2-105.6 26.6 37.8 52.5 48.3 92 94 A W < + 0 0 67 -3,-1.7 2,-0.4 1,-0.2 -2,-0.1 0.717 64.4 152.2 56.6 38.9 34.1 52.1 47.6 93 95 A L - 0 0 39 13,-0.0 -4,-1.7 14,-0.0 2,-0.5 -0.780 31.6-152.8 -84.2 137.3 33.3 55.4 45.8 94 96 A I E +D 88 0B 0 14,-2.0 13,-3.0 -2,-0.4 14,-2.1 -0.974 18.8 171.9-124.8 128.4 30.3 54.7 43.4 95 97 A Y E -DE 87 106B 41 -8,-3.2 -8,-3.0 -2,-0.5 2,-0.3 -0.789 15.6-144.3-122.0 163.1 29.6 56.5 40.2 96 98 A K E -DE 86 105B 66 9,-2.6 9,-1.9 -2,-0.3 2,-0.3 -0.932 10.7-172.7-134.6 156.9 27.1 56.0 37.4 97 99 A T E +D 85 0B 2 -12,-1.8 -12,-2.4 -2,-0.3 7,-0.1 -0.988 11.9 176.9-145.0 139.4 26.9 56.5 33.7 98 100 A T S S+ 0 0 78 5,-0.4 -14,-0.2 -2,-0.3 -15,-0.2 0.085 79.9 60.5-129.0 16.9 23.9 56.1 31.5 99 101 A D S S- 0 0 42 4,-0.3 3,-0.3 -16,-0.2 -15,-0.1 -0.010 120.0 -84.9-140.7 34.1 25.7 57.1 28.3 100 102 A a S S- 0 0 48 -17,-1.9 -16,-0.1 1,-0.2 -17,-0.0 0.968 90.1 -48.7 59.9 58.4 28.5 54.6 27.7 101 103 A Y S S+ 0 0 59 -18,-0.4 -1,-0.2 2,-0.2 3,-0.1 0.581 106.9 119.7 62.2 20.8 31.2 56.2 29.9 102 104 A Q S S+ 0 0 125 1,-0.3 2,-0.4 -3,-0.3 -2,-0.1 0.958 81.3 11.8 -74.7 -52.6 30.7 59.7 28.5 103 105 A T - 0 0 86 2,-0.0 -5,-0.4 0, 0.0 2,-0.4 -0.964 68.1-156.1-131.2 145.3 29.7 61.4 31.8 104 106 A F - 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