==== 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 07-JAN-98 1A2P . COMPND 2 MOLECULE: BARNASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR C.MARTIN,V.RICHARD,M.SALEM,R.W.HARTLEY,Y.MAUGUEN . 324 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 53.1 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 . 59 18.2 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 . 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 . 8 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 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 1 5 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 0 132 0, 0.0 2,-0.7 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 129.8 18.0 38.6 42.8 2 4 A I + 0 0 64 1,-0.1 19,-0.2 5,-0.1 0, 0.0 -0.906 360.0 135.3-107.1 108.1 19.6 41.8 44.1 3 5 A N + 0 0 26 -2,-0.7 72,-3.1 71,-0.1 73,-0.2 0.241 33.0 106.3-141.9 23.5 20.3 44.0 41.1 4 6 A T S > S- 0 0 66 70,-0.2 4,-2.5 71,-0.1 5,-0.4 -0.574 76.2-111.7-100.6 163.9 19.2 47.6 41.9 5 7 A F H > S+ 0 0 29 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.947 118.9 39.3 -56.0 -49.1 21.3 50.6 42.7 6 8 A D H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.923 116.2 51.1 -71.8 -38.0 20.1 50.7 46.3 7 9 A G H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.928 115.9 39.4 -64.5 -49.4 20.1 46.9 46.8 8 10 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.915 114.3 53.5 -68.2 -43.2 23.6 46.4 45.6 9 11 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.4 -2,-0.2 0.926 112.8 44.0 -58.3 -46.2 25.1 49.6 47.2 10 12 A D H X S+ 0 0 79 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.889 112.5 52.1 -70.7 -32.7 23.7 48.5 50.6 11 13 A Y H >X S+ 0 0 41 -4,-1.9 4,-3.0 -5,-0.2 3,-0.7 0.938 110.2 49.5 -66.5 -43.7 24.9 44.9 50.1 12 14 A L H 3X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.907 109.6 49.0 -60.9 -46.2 28.4 46.0 49.3 13 15 A Q H 3< S+ 0 0 73 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.706 120.9 38.2 -71.3 -15.9 28.8 48.4 52.2 14 16 A T H << S+ 0 0 99 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.834 129.9 23.7 -95.6 -48.9 27.6 45.6 54.6 15 17 A Y H < S- 0 0 106 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.460 89.9-133.7-102.6 -14.2 29.1 42.4 53.3 16 18 A H S < S+ 0 0 107 -4,-1.7 2,-0.3 -5,-0.5 -4,-0.2 0.784 78.4 76.6 60.3 34.3 32.1 43.8 51.4 17 19 A K S S- 0 0 113 -6,-0.4 -2,-0.3 0, 0.0 -1,-0.2 -0.974 87.2 -96.2-159.9 160.8 31.2 41.6 48.4 18 20 A L - 0 0 29 -2,-0.3 4,-0.1 1,-0.1 -10,-0.0 -0.530 50.2 -97.8 -79.4 153.9 28.8 41.4 45.5 19 21 A P > - 0 0 5 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.246 41.9 -95.7 -62.6 165.1 25.7 39.2 46.0 20 22 A D T 3 S+ 0 0 102 1,-0.3 -2,-0.0 -3,-0.1 0, 0.0 0.485 113.5 73.2 -58.3 -17.4 25.7 35.7 44.5 21 23 A N T 3 S+ 0 0 5 -19,-0.2 27,-2.2 26,-0.1 2,-0.4 0.426 81.1 94.0 -84.9 4.1 24.0 36.6 41.3 22 24 A Y E < +a 48 0A 21 -3,-1.5 2,-0.3 25,-0.2 27,-0.2 -0.805 47.2 176.3 -99.9 139.8 27.1 38.3 39.9 23 25 A I E -a 49 0A 17 25,-2.3 27,-2.4 -2,-0.4 2,-0.0 -0.960 31.2-109.6-129.3 155.9 29.8 36.7 37.8 24 26 A T > - 0 0 37 -2,-0.3 4,-2.5 25,-0.2 5,-0.2 -0.339 31.9-107.0 -79.3 168.5 32.9 38.3 36.2 25 27 A K H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 121.6 51.5 -60.5 -38.3 33.3 38.9 32.5 26 28 A S H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 109.7 49.1 -66.5 -39.2 35.9 36.0 32.3 27 29 A E H > S+ 0 0 88 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.922 111.7 48.9 -65.9 -41.7 33.5 33.6 34.1 28 30 A A H X>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 4,-0.6 0.913 109.8 51.7 -64.3 -45.9 30.6 34.6 31.7 29 31 A Q H ><5S+ 0 0 118 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.912 107.1 53.2 -57.9 -41.8 32.8 34.1 28.6 30 32 A A H 3<5S+ 0 0 92 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.836 106.4 53.5 -63.3 -34.9 33.8 30.6 29.8 31 33 A L H 3<5S- 0 0 51 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.532 132.7 -87.9 -73.5 -10.3 30.2 29.6 30.2 32 34 A G T <<5 + 0 0 33 -3,-1.2 2,-0.4 -4,-0.6 -3,-0.2 0.558 69.5 157.9 114.9 5.7 29.4 30.7 26.7 33 35 A W < - 0 0 26 -5,-2.5 2,-0.5 -6,-0.1 -1,-0.3 -0.530 17.4-172.8 -65.2 127.5 28.6 34.4 26.8 34 36 A V >>> - 0 0 68 -2,-0.4 3,-2.1 1,-0.1 5,-0.8 -0.968 13.7-153.3-122.9 107.3 29.1 36.0 23.5 35 37 A A G >45S+ 0 0 56 -2,-0.5 3,-1.2 1,-0.3 46,-0.2 0.844 91.8 54.8 -51.5 -45.8 28.6 39.8 23.8 36 38 A S G 345S+ 0 0 109 1,-0.3 -1,-0.3 2,-0.1 44,-0.1 0.623 107.0 51.9 -70.2 -11.7 27.5 40.4 20.2 37 39 A K G <45S- 0 0 154 -3,-2.1 -1,-0.3 42,-0.1 -2,-0.2 0.391 98.6-134.0 -99.1 -6.3 24.7 37.8 20.5 38 40 A G T <<5 + 0 0 12 -3,-1.2 41,-0.4 -4,-0.6 3,-0.3 0.849 58.5 139.8 61.1 35.5 23.2 39.3 23.7 39 41 A N >>< + 0 0 24 -5,-0.8 4,-1.6 1,-0.2 3,-1.2 0.194 16.0 115.6-104.7 15.6 23.0 35.8 25.2 40 42 A L H 3> S+ 0 0 0 39,-0.4 4,-2.2 1,-0.3 3,-0.3 0.911 78.0 52.0 -54.9 -44.2 23.9 36.1 28.9 41 43 A A H 34 S+ 0 0 28 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.761 109.3 51.1 -70.6 -17.1 20.6 35.1 30.2 42 44 A D H <4 S+ 0 0 136 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.816 118.4 34.6 -82.3 -36.1 20.5 32.0 28.2 43 45 A V H < S+ 0 0 34 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.1 0.647 133.3 24.7 -94.6 -21.5 23.9 30.7 29.2 44 46 A A S >< S- 0 0 7 -4,-2.2 3,-2.1 -5,-0.3 -1,-0.2 -0.564 85.0-153.6-144.3 69.7 24.0 31.9 32.8 45 47 A P T 3 S+ 0 0 64 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.242 77.2 9.4 -54.4 131.7 20.4 32.2 33.9 46 48 A G T 3 S+ 0 0 49 31,-0.3 2,-0.2 1,-0.3 -5,-0.1 0.378 102.1 123.4 80.8 2.2 19.8 34.8 36.7 47 49 A K < - 0 0 69 -3,-2.1 2,-0.3 -7,-0.2 -1,-0.3 -0.612 40.8-166.8 -97.5 151.9 23.3 36.2 36.5 48 50 A S E -a 22 0A 2 -27,-2.2 -25,-2.3 -2,-0.2 2,-0.4 -0.925 32.0-104.5-126.1 152.7 24.6 39.7 35.9 49 51 A I E +a 23 0A 2 -2,-0.3 24,-3.0 -27,-0.2 2,-0.3 -0.630 60.2 130.3 -76.9 135.5 28.2 40.8 35.0 50 52 A G E +B 72 0B 4 -27,-2.4 22,-0.3 -2,-0.4 -2,-0.0 -0.941 27.8 62.8-176.4 155.9 30.1 42.3 37.9 51 53 A G E + 0 0 11 20,-3.1 21,-0.2 1,-0.3 2,-0.1 0.327 62.2 133.2 106.7 -3.1 33.3 42.4 40.0 52 54 A D E -B 71 0B 35 19,-0.5 19,-2.1 1,-0.1 -1,-0.3 -0.443 63.0-100.0 -77.4 150.3 35.9 43.4 37.4 53 55 A I E -B 70 0B 98 17,-0.2 2,-0.5 -2,-0.1 17,-0.3 -0.451 30.1-147.1 -67.7 133.3 38.5 46.1 38.0 54 56 A F E -B 69 0B 33 15,-2.4 15,-0.5 -2,-0.2 -1,-0.0 -0.960 5.9-146.1-104.6 120.9 37.6 49.4 36.5 55 57 A S - 0 0 88 -2,-0.5 -1,-0.1 13,-0.1 4,-0.0 0.721 8.3-150.9 -58.7 -36.8 40.8 51.3 35.4 56 58 A N > + 0 0 28 1,-0.1 3,-1.2 2,-0.1 -1,-0.1 0.862 36.1 158.6 60.0 37.9 39.7 54.9 36.1 57 59 A R T 3 + 0 0 206 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.880 67.5 53.0 -55.0 -49.8 42.0 56.0 33.2 58 60 A E T 3 S- 0 0 122 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.469 105.9-129.8 -66.8 -10.6 40.2 59.3 32.6 59 61 A G < + 0 0 49 -3,-1.2 4,-0.2 1,-0.1 -2,-0.1 0.760 64.2 136.5 64.6 28.0 40.6 60.1 36.3 60 62 A K + 0 0 98 2,-0.1 -1,-0.1 43,-0.0 44,-0.1 0.917 56.8 64.4 -74.4 -36.5 36.9 60.9 36.7 61 63 A L S S- 0 0 4 1,-0.1 8,-0.0 34,-0.0 2,-0.0 -0.606 105.9 -88.3 -87.3 148.7 36.5 59.1 40.0 62 64 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.284 47.4-147.9 -58.5 131.4 38.4 60.3 43.0 63 65 A G + 0 0 63 -4,-0.2 2,-0.3 -3,-0.1 5,-0.1 -0.657 22.7 165.3-102.8 152.1 41.8 58.8 43.2 64 66 A K > - 0 0 139 3,-0.3 3,-2.4 -2,-0.3 0, 0.0 -0.963 47.4 -83.8-161.7 147.0 44.0 57.8 46.2 65 67 A S T 3 S+ 0 0 122 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 -0.322 116.9 10.9 -53.9 129.7 47.1 55.7 46.9 66 68 A G T 3 S+ 0 0 78 1,-0.2 2,-0.6 24,-0.0 -1,-0.3 0.503 94.6 131.9 76.4 8.1 46.0 52.1 47.3 67 69 A R < - 0 0 48 -3,-2.4 2,-0.4 23,-0.1 -3,-0.3 -0.826 34.4-171.7 -97.3 125.8 42.5 52.7 46.1 68 70 A T - 0 0 61 -2,-0.6 22,-1.6 -3,-0.1 2,-0.4 -0.870 9.7-147.2-109.5 141.6 41.1 50.2 43.6 69 71 A W E -BC 54 89B 10 -15,-0.5 -15,-2.4 -2,-0.4 2,-0.3 -0.906 14.9-177.7-110.2 144.6 37.8 50.6 41.7 70 72 A R E -BC 53 88B 99 18,-2.3 18,-2.6 -2,-0.4 2,-0.3 -0.900 10.0-147.3-134.2 161.3 35.5 47.8 40.5 71 73 A E E -BC 52 87B 15 -19,-2.1 -20,-3.1 -2,-0.3 -19,-0.5 -0.894 10.2-173.2-128.3 160.3 32.3 47.8 38.6 72 74 A A E -BC 50 86B 0 14,-1.9 14,-2.6 -2,-0.3 -22,-0.3 -0.986 30.4-109.1-152.3 146.3 29.0 45.8 38.4 73 75 A D E - C 0 85B 0 -24,-3.0 2,-0.3 -2,-0.3 12,-0.2 -0.565 32.7-156.6 -73.8 141.8 26.0 45.9 36.0 74 76 A I + 0 0 0 10,-2.0 10,-0.4 -2,-0.2 -70,-0.2 -0.881 65.8 11.9-122.2 145.6 22.7 47.2 37.5 75 77 A N S S+ 0 0 73 -72,-3.1 2,-0.4 -2,-0.3 -1,-0.1 0.644 82.7 151.1 68.5 17.3 19.2 46.5 36.4 76 78 A Y + 0 0 8 -73,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.659 9.6 146.0 -85.1 136.2 20.1 43.7 34.0 77 79 A T - 0 0 112 1,-0.4 2,-0.3 -2,-0.4 -31,-0.3 0.592 65.9 -21.3-124.9 -50.0 17.6 40.9 33.4 78 80 A S S S+ 0 0 80 2,-0.2 -1,-0.4 -33,-0.1 2,-0.1 -0.988 95.4 31.3-160.3 163.6 18.1 39.7 29.8 79 81 A G S S- 0 0 31 -41,-0.4 -39,-0.4 -2,-0.3 -38,-0.2 -0.430 100.2 -6.4 85.4-158.5 19.4 40.6 26.4 80 82 A F S S- 0 0 137 -2,-0.1 -2,-0.2 1,-0.1 -44,-0.1 -0.351 87.4 -90.6 -64.8 154.7 22.3 42.9 25.6 81 83 A R - 0 0 65 -46,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.279 43.4-136.4 -62.5 150.6 23.9 44.7 28.6 82 84 A N - 0 0 43 2,-0.2 -1,-0.1 -8,-0.2 -6,-0.1 -0.118 22.9-100.0 -94.6-162.2 22.5 48.1 29.4 83 85 A S S S+ 0 0 37 15,-0.2 17,-1.8 -2,-0.1 2,-0.5 0.265 83.6 106.5-106.4 6.1 24.2 51.4 30.3 84 86 A D + 0 0 27 -10,-0.4 -10,-2.0 14,-0.2 2,-0.3 -0.792 40.6 163.3 -99.3 130.1 23.8 51.2 34.1 85 87 A R E -CD 73 97B 4 12,-2.4 12,-2.2 -2,-0.5 2,-0.4 -0.995 30.7-141.3-144.7 148.2 26.7 50.5 36.4 86 88 A I E -CD 72 96B 0 -14,-2.6 -14,-1.9 -2,-0.3 2,-0.5 -0.879 17.9-157.1-103.6 138.0 27.7 50.7 40.0 87 89 A L E -CD 71 95B 0 8,-2.8 8,-2.7 -2,-0.4 2,-0.4 -0.986 14.3-178.9-118.9 122.9 31.3 51.7 40.8 88 90 A Y E -CD 70 94B 18 -18,-2.6 -18,-2.3 -2,-0.5 6,-0.2 -0.989 12.8-146.4-129.7 138.8 32.7 50.8 44.2 89 91 A S E > -C 69 0B 1 4,-1.9 3,-2.0 -2,-0.4 -20,-0.2 -0.503 32.6-106.3 -99.1 167.7 36.2 51.4 45.7 90 92 A S T 3 S+ 0 0 62 -22,-1.6 -21,-0.1 1,-0.3 -1,-0.1 0.692 123.8 51.5 -67.8 -13.0 38.3 49.3 48.1 91 93 A D T 3 S- 0 0 67 -23,-0.2 -1,-0.3 2,-0.1 -24,-0.0 0.143 122.6-104.7-110.1 15.6 37.3 51.9 50.7 92 94 A W < + 0 0 65 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.665 65.3 148.4 73.4 25.7 33.6 51.6 50.0 93 95 A L - 0 0 41 14,-0.0 -4,-1.9 13,-0.0 2,-0.5 -0.656 33.0-153.6 -80.2 139.5 32.7 54.8 48.2 94 96 A I E +D 88 0B 0 -2,-0.3 13,-2.6 -6,-0.2 14,-1.7 -0.989 16.6 175.9-127.4 126.3 29.9 54.0 45.8 95 97 A Y E -DE 87 106B 40 -8,-2.7 -8,-2.8 -2,-0.5 2,-0.4 -0.848 14.9-145.0-121.8 158.3 29.1 55.9 42.5 96 98 A K E -DE 86 105B 69 9,-2.6 9,-2.0 -2,-0.3 2,-0.4 -0.949 10.4-173.7-122.9 147.5 26.6 55.4 39.8 97 99 A T E +D 85 0B 1 -12,-2.2 -12,-2.4 -2,-0.4 7,-0.1 -0.993 12.5 173.9-131.2 140.8 26.6 55.9 36.1 98 100 A T S S+ 0 0 72 -2,-0.4 -14,-0.2 5,-0.3 -15,-0.2 0.146 76.6 64.9-123.6 14.0 23.6 55.5 33.7 99 101 A D S > S- 0 0 42 4,-0.4 3,-0.7 -14,-0.1 -15,-0.1 -0.144 119.7 -87.2-130.2 34.7 25.4 56.7 30.6 100 102 A H T 3 S- 0 0 100 -17,-1.8 -16,-0.1 1,-0.2 -17,-0.0 0.916 88.6 -50.9 59.8 47.6 28.1 54.1 30.0 101 103 A Y T 3 S+ 0 0 51 -18,-0.4 -1,-0.2 2,-0.3 3,-0.1 0.627 108.0 116.4 74.2 14.4 30.8 55.6 32.2 102 104 A Q S < S+ 0 0 127 -3,-0.7 2,-0.3 1,-0.3 -2,-0.1 0.902 83.3 13.1 -79.9 -41.8 30.6 59.2 30.8 103 105 A T - 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