==== 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 11-APR-94 1BNS . COMPND 2 MOLECULE: BARNASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR Y.W.CHEN . 323 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 53.3 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 . 58 18.0 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 . 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 . 1 0.3 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 . 7 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 2 1 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 2 4 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 0 133 0, 0.0 2,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 138.1 18.4 39.3 42.2 2 4 A I + 0 0 59 1,-0.1 19,-0.2 5,-0.1 3,-0.0 -0.944 360.0 133.8-106.0 108.8 19.9 42.5 43.6 3 5 A N + 0 0 26 -2,-0.7 72,-3.3 71,-0.0 2,-0.3 0.085 34.8 107.2-144.2 20.2 20.6 44.7 40.5 4 6 A T S > S- 0 0 67 70,-0.2 4,-3.4 71,-0.1 5,-0.5 -0.755 76.6-112.1-102.2 156.1 19.3 48.2 41.5 5 7 A F H > S+ 0 0 28 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.902 118.2 35.6 -47.2 -57.9 21.3 51.3 42.3 6 8 A D H > S+ 0 0 98 2,-0.2 4,-4.0 1,-0.2 5,-0.2 0.884 116.9 54.8 -64.4 -42.9 20.3 51.3 45.9 7 9 A G H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.947 114.3 37.2 -55.8 -51.3 20.2 47.6 46.3 8 10 A V H X S+ 0 0 0 -4,-3.4 4,-2.7 2,-0.2 -1,-0.2 0.893 116.6 55.0 -70.6 -38.4 23.7 47.0 45.1 9 11 A A H X S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.5 -2,-0.2 0.973 111.0 43.9 -57.5 -53.3 24.9 50.1 46.9 10 12 A D H X S+ 0 0 85 -4,-4.0 4,-1.5 1,-0.2 -1,-0.2 0.866 113.3 52.8 -61.6 -34.2 23.5 49.0 50.2 11 13 A Y H X S+ 0 0 38 -4,-2.1 4,-1.8 -5,-0.2 5,-0.5 0.885 103.6 55.2 -68.3 -43.8 24.8 45.5 49.7 12 14 A L H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.745 110.0 46.6 -61.4 -30.2 28.4 46.6 49.0 13 15 A Q H < S+ 0 0 75 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.868 114.1 46.3 -84.1 -33.4 28.6 48.5 52.2 14 16 A T H < S+ 0 0 94 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.1 0.999 133.2 14.5 -65.5 -70.4 27.2 45.9 54.4 15 17 A Y H < S- 0 0 116 -4,-1.8 -3,-0.2 2,-0.2 -2,-0.2 0.471 89.3-128.2 -81.5 -16.6 29.2 43.0 53.0 16 18 A H S < S+ 0 0 105 -4,-1.0 2,-0.3 -5,-0.5 -4,-0.2 0.747 79.5 85.2 67.7 25.2 32.0 44.6 51.0 17 19 A K S S- 0 0 118 -6,-0.4 -2,-0.2 0, 0.0 -1,-0.2 -0.992 83.3 -95.4-154.5 159.5 31.1 42.4 48.1 18 20 A L - 0 0 27 -2,-0.3 2,-0.1 1,-0.1 32,-0.0 -0.372 48.9-101.4 -70.9 148.1 28.9 42.1 45.1 19 21 A P > - 0 0 3 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.276 43.1 -98.5 -66.0 155.8 25.6 40.1 45.4 20 22 A D T 3 S+ 0 0 125 1,-0.3 -2,-0.1 -3,-0.1 27,-0.0 0.621 113.2 75.8 -51.2 -27.8 25.8 36.5 43.9 21 23 A N T 3 S+ 0 0 11 -19,-0.2 27,-2.2 26,-0.1 -1,-0.3 0.457 79.3 93.6 -69.2 -6.2 24.2 37.4 40.7 22 24 A Y E < +a 48 0A 18 -3,-2.1 2,-0.3 25,-0.2 27,-0.2 -0.712 46.4 173.5 -95.9 152.5 27.4 39.1 39.4 23 25 A I E -a 49 0A 20 25,-1.6 27,-2.0 -2,-0.3 29,-0.1 -0.955 33.5-107.7-146.5 146.2 30.1 37.5 37.3 24 26 A A > - 0 0 16 -2,-0.3 4,-2.3 25,-0.2 3,-0.4 -0.322 31.7-113.1 -68.9 148.8 33.2 39.0 35.7 25 27 A K H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 8,-0.1 0.735 117.5 56.1 -58.5 -30.0 33.3 39.3 31.9 26 28 A S H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 109.6 45.0 -65.7 -43.2 36.0 36.7 31.7 27 29 A E H > S+ 0 0 107 -3,-0.4 4,-1.0 2,-0.2 -2,-0.2 0.929 112.6 51.4 -65.6 -47.5 33.8 34.2 33.5 28 30 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 3,-0.9 0.913 110.3 50.2 -56.7 -45.8 30.8 35.2 31.3 29 31 A Q H ><5S+ 0 0 113 -4,-2.2 3,-2.3 1,-0.3 -1,-0.2 0.911 104.0 57.6 -61.0 -41.1 33.0 34.6 28.2 30 32 A A H 3<5S+ 0 0 84 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.734 104.1 55.4 -58.3 -29.1 34.1 31.2 29.5 31 33 A L T <<5S- 0 0 93 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.321 129.4 -91.7 -89.5 5.6 30.4 30.3 29.6 32 34 A G T < 5 + 0 0 38 -3,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.491 68.6 158.6 97.2 6.1 29.8 31.1 25.9 33 35 A W < - 0 0 22 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.506 19.1-170.3 -63.7 129.6 28.7 34.7 26.3 34 36 A V >>> - 0 0 62 -2,-0.3 3,-1.7 1,-0.1 5,-1.0 -0.993 15.1-151.1-120.6 115.0 29.2 36.6 22.9 35 37 A A G >45S+ 0 0 57 -2,-0.5 3,-1.1 1,-0.3 46,-0.2 0.846 94.6 56.7 -55.2 -42.6 28.8 40.4 23.3 36 38 A S G 345S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.1 44,-0.1 0.565 108.1 46.6 -61.6 -15.7 27.6 40.8 19.7 37 39 A K G <45S- 0 0 100 -3,-1.7 -1,-0.3 42,-0.1 -2,-0.2 0.471 95.5-137.9-105.4 -11.4 24.8 38.3 20.2 38 40 A G T <<5 + 0 0 13 -3,-1.1 41,-0.5 -4,-0.6 3,-0.3 0.869 55.3 142.0 52.2 43.7 23.5 39.8 23.5 39 41 A N >>< + 0 0 29 -5,-1.0 4,-1.5 1,-0.2 3,-1.5 0.223 18.0 117.7 -97.2 12.2 23.1 36.2 24.7 40 42 A L H 3> S+ 0 0 1 39,-0.4 4,-2.3 1,-0.3 -1,-0.2 0.872 75.9 55.0 -47.2 -44.9 24.2 36.6 28.4 41 43 A A H 34 S+ 0 0 29 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.819 106.4 53.9 -61.2 -32.1 20.7 35.6 29.6 42 44 A D H <4 S+ 0 0 128 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.914 116.8 32.4 -69.2 -46.2 21.0 32.4 27.6 43 45 A V H < S+ 0 0 43 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.675 135.4 23.1 -88.4 -22.1 24.3 31.2 29.0 44 46 A A S >< S- 0 0 7 -4,-2.3 3,-1.7 -5,-0.3 -1,-0.2 -0.566 81.1-158.2-149.2 74.7 24.1 32.5 32.5 45 47 A P T 3 S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.232 77.8 15.0 -56.6 133.0 20.4 33.1 33.4 46 48 A G T 3 S+ 0 0 52 31,-0.3 2,-0.3 1,-0.2 -5,-0.1 0.555 101.9 122.7 79.7 1.4 19.9 35.6 36.3 47 49 A K < - 0 0 69 -3,-1.7 2,-0.3 -7,-0.2 -1,-0.2 -0.757 42.2-165.0-102.1 157.4 23.4 37.0 36.0 48 50 A S E -a 22 0A 3 -27,-2.2 -25,-1.6 -2,-0.3 2,-0.4 -0.883 32.8-104.3-130.0 154.0 24.8 40.4 35.4 49 51 A I E +a 23 0A 1 -2,-0.3 24,-2.7 -27,-0.2 2,-0.3 -0.677 60.8 143.3 -78.3 128.1 28.4 41.5 34.5 50 52 A G E +B 72 0B 6 -27,-2.0 22,-0.3 -2,-0.4 -2,-0.0 -0.938 30.5 47.2-167.6 151.3 30.1 42.9 37.5 51 53 A G E + 0 0 23 20,-3.2 21,-0.2 1,-0.3 2,-0.1 0.283 64.3 134.1 98.7 -1.9 33.3 43.1 39.4 52 54 A D E - 0 0 35 19,-0.4 19,-2.1 -29,-0.1 -1,-0.3 -0.378 62.1 -95.1 -80.5 157.6 35.9 44.1 36.7 53 55 A I E -B 70 0B 90 17,-0.2 2,-0.7 -2,-0.1 17,-0.3 -0.510 25.9-145.8 -68.9 135.8 38.4 46.8 37.3 54 56 A F E -B 69 0B 33 15,-2.3 15,-0.5 -2,-0.2 -1,-0.1 -0.886 4.9-160.9-104.5 113.6 37.6 50.3 36.1 55 57 A S - 0 0 97 -2,-0.7 4,-0.2 13,-0.1 -1,-0.1 0.649 17.1-147.7 -73.9 -10.0 40.9 51.8 35.0 56 58 A N > + 0 0 28 1,-0.1 3,-1.1 2,-0.1 -2,-0.0 0.942 25.0 176.9 43.6 58.1 39.4 55.3 35.2 57 59 A R T 3 S+ 0 0 123 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.897 72.3 52.6 -60.1 -41.8 41.6 56.4 32.3 58 60 A E T 3 S- 0 0 74 1,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.231 104.1-125.7 -82.6 14.1 40.2 59.9 32.2 59 61 A G < + 0 0 56 -3,-1.1 4,-0.1 -4,-0.2 -2,-0.1 0.786 66.4 137.5 44.8 31.1 40.7 60.6 35.9 60 62 A K + 0 0 123 41,-0.1 -1,-0.1 2,-0.1 44,-0.1 0.842 56.2 65.7 -71.9 -37.5 37.0 61.4 36.3 61 63 A L S S- 0 0 3 1,-0.1 8,-0.0 34,-0.0 34,-0.0 -0.690 106.2 -87.4 -88.0 144.3 36.7 59.5 39.6 62 64 A P - 0 0 50 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.244 52.1-150.5 -50.2 130.5 38.5 60.7 42.7 63 65 A G + 0 0 58 -4,-0.1 2,-0.3 -3,-0.1 5,-0.1 -0.436 23.6 161.7 -99.9 170.6 42.0 59.1 42.7 64 66 A K > - 0 0 133 3,-0.2 3,-1.7 -2,-0.2 2,-0.3 -0.827 48.6 -84.8 175.4 147.8 44.4 58.1 45.4 65 67 A S T 3 S+ 0 0 129 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.504 117.6 14.4 -66.5 124.1 47.5 55.9 45.8 66 68 A G T 3 S+ 0 0 75 -2,-0.3 2,-0.5 1,-0.3 -1,-0.3 0.665 92.9 132.7 85.9 15.7 46.2 52.4 46.4 67 69 A R < - 0 0 43 -3,-1.7 2,-0.4 23,-0.1 -1,-0.3 -0.932 35.8-167.2-103.2 124.4 42.7 53.0 45.3 68 70 A T - 0 0 52 -2,-0.5 22,-1.6 -3,-0.1 2,-0.4 -0.900 7.6-150.8-111.8 138.8 41.1 50.5 42.9 69 71 A W E -BC 54 89B 9 -15,-0.5 -15,-2.3 -2,-0.4 2,-0.3 -0.881 14.5-175.2-106.9 140.8 37.9 51.2 41.1 70 72 A R E -BC 53 88B 99 18,-3.3 18,-2.5 -2,-0.4 2,-0.3 -0.870 8.3-150.3-129.7 158.4 35.6 48.4 40.2 71 73 A E E - C 0 87B 18 -19,-2.1 -20,-3.2 -2,-0.3 -19,-0.4 -0.854 9.6-171.7-128.7 164.3 32.3 48.4 38.1 72 74 A A E -BC 50 86B 0 14,-1.6 14,-2.4 -2,-0.3 -22,-0.2 -0.966 29.6-109.2-156.2 142.6 29.0 46.5 37.9 73 75 A D E - C 0 85B 0 -24,-2.7 2,-0.3 -2,-0.3 12,-0.3 -0.509 32.8-155.2 -69.2 137.2 26.1 46.5 35.6 74 76 A I + 0 0 0 10,-2.1 10,-0.4 -2,-0.2 -70,-0.2 -0.895 66.3 8.4-119.3 148.0 22.8 47.9 37.0 75 77 A N S S+ 0 0 71 -72,-3.3 2,-0.4 -2,-0.3 -1,-0.1 0.724 83.1 153.7 61.1 24.8 19.2 47.2 35.9 76 78 A Y + 0 0 10 -73,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.742 11.2 150.0 -87.4 135.1 20.2 44.3 33.6 77 79 A T - 0 0 112 1,-0.5 -31,-0.3 -2,-0.4 2,-0.3 0.697 62.7 -30.8-127.2 -52.6 17.7 41.6 32.8 78 80 A S S S+ 0 0 74 2,-0.2 -1,-0.5 -33,-0.1 2,-0.2 -0.924 94.6 33.9-159.3 174.5 18.3 40.2 29.3 79 81 A G S S- 0 0 30 -41,-0.5 -39,-0.4 -2,-0.3 -38,-0.2 -0.405 101.8 -0.4 77.2-153.6 19.6 41.0 25.8 80 82 A F S S- 0 0 140 -2,-0.2 -2,-0.2 1,-0.1 -44,-0.1 -0.334 86.7 -94.5 -66.6 152.3 22.4 43.5 25.2 81 83 A R - 0 0 69 -46,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.347 40.6-139.2 -66.6 152.8 24.0 45.4 28.1 82 84 A N - 0 0 45 2,-0.2 -1,-0.1 -8,-0.2 17,-0.1 -0.142 24.3 -98.2 -99.9-158.3 22.6 48.8 29.0 83 85 A S S S+ 0 0 40 15,-0.2 17,-2.3 -2,-0.1 2,-0.4 0.472 83.0 106.8-108.3 1.5 24.3 52.0 30.0 84 86 A D + 0 0 27 -10,-0.4 -10,-2.1 14,-0.2 2,-0.3 -0.591 38.6 158.2 -90.9 130.9 23.9 51.8 33.7 85 87 A R E -CD 73 97B 5 12,-2.5 12,-2.0 -2,-0.4 2,-0.4 -0.996 32.0-140.4-147.6 153.5 26.8 51.0 36.1 86 88 A I E -CD 72 96B 0 -14,-2.4 -14,-1.6 -2,-0.3 2,-0.4 -0.898 17.8-154.0-113.0 141.8 27.8 51.4 39.6 87 89 A L E -CD 71 95B 0 8,-2.4 8,-2.9 -2,-0.4 2,-0.4 -0.980 14.7-179.0-118.2 125.9 31.5 52.3 40.4 88 90 A Y E -CD 70 94B 19 -18,-2.5 -18,-3.3 -2,-0.4 2,-0.2 -0.986 13.0-148.8-135.8 136.3 33.0 51.3 43.7 89 91 A S E > -C 69 0B 1 4,-1.6 3,-2.1 -2,-0.4 -20,-0.2 -0.603 32.9-106.6 -96.3 162.4 36.4 51.9 45.1 90 92 A S T 3 S+ 0 0 48 -22,-1.6 -21,-0.1 1,-0.3 -23,-0.1 0.803 124.2 52.6 -63.0 -24.9 38.4 49.8 47.5 91 93 A D T 3 S- 0 0 62 -23,-0.2 -1,-0.3 2,-0.1 -24,-0.0 0.180 124.5-107.9 -95.4 17.3 37.7 52.3 50.2 92 94 A W < + 0 0 71 -3,-2.1 2,-0.4 1,-0.2 -2,-0.1 0.800 60.5 157.2 60.3 45.9 34.0 52.1 49.4 93 95 A L - 0 0 39 14,-0.0 -4,-1.6 13,-0.0 2,-0.5 -0.830 30.9-148.0 -87.5 131.9 33.2 55.3 47.6 94 96 A I E +D 88 0B 0 14,-1.9 13,-3.4 -2,-0.4 14,-1.8 -0.964 22.2 169.6-118.5 126.5 30.1 54.6 45.5 95 97 A Y E -DE 87 106B 37 -8,-2.9 -8,-2.4 -2,-0.5 2,-0.3 -0.799 15.6-149.0-120.3 159.3 29.4 56.4 42.2 96 98 A K E -DE 86 105B 55 9,-2.4 9,-2.0 -2,-0.3 2,-0.3 -0.958 9.0-172.6-136.6 154.3 26.9 55.9 39.4 97 99 A T E +D 85 0B 1 -12,-2.0 -12,-2.5 -2,-0.3 7,-0.1 -0.984 12.0 177.5-143.0 137.6 26.8 56.4 35.7 98 100 A T S S+ 0 0 73 5,-0.5 -14,-0.2 -2,-0.3 -15,-0.2 0.175 79.7 58.1-127.2 21.3 23.8 56.1 33.5 99 101 A D S S- 0 0 45 4,-0.4 3,-0.5 -16,-0.1 -15,-0.1 -0.164 121.6 -82.9-147.2 41.1 25.6 57.2 30.3 100 102 A H S S- 0 0 90 -17,-2.3 -16,-0.1 1,-0.2 -17,-0.0 0.916 88.1 -51.6 58.1 57.7 28.3 54.8 29.8 101 103 A Y S S+ 0 0 50 -18,-0.3 -1,-0.2 2,-0.3 3,-0.1 0.701 107.5 117.6 55.1 24.0 30.9 56.4 32.1 102 104 A Q S S+ 0 0 132 -3,-0.5 2,-0.3 1,-0.3 -2,-0.1 0.943 84.0 16.5 -79.1 -46.1 30.6 59.8 30.5 103 105 A T - 0 0 82 2,-0.0 -5,-0.5 -4,-0.0 -4,-0.4 -0.950 68.4-162.1-127.5 143.1 29.4 61.3 33.7 104 106 A F - 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