==== 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 09-MAR-95 1BRI . COMPND 2 MOLECULE: BARNASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR P.C.CRAMER,A.BUCKLE,A.FERSHT . 321 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 53.6 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 17.8 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 . 31 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 14.6 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 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 4 1 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 4 A I 0 0 99 0, 0.0 19,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 109.8 20.7 42.6 44.0 2 5 A N + 0 0 47 72,-0.0 72,-4.3 71,-0.0 2,-0.2 0.183 360.0 104.9-141.4 16.0 21.2 44.7 40.9 3 6 A T S > S- 0 0 62 70,-0.2 4,-2.3 71,-0.1 5,-0.3 -0.616 78.1-112.7 -95.8 164.2 20.0 48.2 41.8 4 7 A F H > S+ 0 0 22 -2,-0.2 4,-2.1 2,-0.2 5,-0.1 0.916 118.2 39.7 -60.3 -47.5 22.2 51.2 42.5 5 8 A D H > S+ 0 0 96 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.902 114.8 52.1 -67.8 -45.5 21.2 51.3 46.2 6 9 A G H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.900 116.8 38.0 -54.0 -54.8 21.2 47.5 46.7 7 10 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.922 115.1 53.6 -67.7 -48.6 24.7 47.0 45.3 8 11 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.923 112.6 44.9 -51.4 -52.3 26.1 50.2 46.9 9 12 A D H X S+ 0 0 81 -4,-3.2 4,-1.2 1,-0.2 -1,-0.2 0.894 112.2 52.8 -60.1 -42.3 24.8 49.1 50.3 10 13 A Y H X S+ 0 0 46 -4,-2.1 4,-3.8 -5,-0.2 5,-0.4 0.923 108.8 49.2 -61.4 -45.7 26.1 45.6 49.8 11 14 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 3,-0.2 -2,-0.2 0.916 108.2 48.8 -63.3 -49.0 29.6 46.7 48.9 12 15 A Q H < S+ 0 0 70 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.755 123.3 37.0 -64.6 -26.1 30.3 49.1 51.8 13 16 A T H < S+ 0 0 83 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.860 133.0 23.0 -90.1 -50.1 29.1 46.4 54.3 14 17 A Y H < S- 0 0 137 -4,-3.8 -3,-0.2 -5,-0.2 -2,-0.2 0.583 87.8-138.5 -99.5 -10.9 30.4 43.2 52.6 15 18 A H S < S+ 0 0 102 -4,-2.9 2,-0.3 -5,-0.4 -4,-0.2 0.798 75.7 71.5 53.9 43.1 33.3 44.6 50.6 16 19 A K S S- 0 0 91 -6,-0.3 -2,-0.2 -5,-0.1 -1,-0.1 -0.925 88.8 -91.8-172.7 153.2 32.4 42.4 47.6 17 20 A L - 0 0 25 -2,-0.3 -10,-0.0 1,-0.1 32,-0.0 -0.384 50.2 -95.1 -75.3 157.6 29.7 42.2 44.9 18 21 A P > - 0 0 5 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.182 45.0 -99.0 -61.8 159.9 26.6 40.1 45.5 19 22 A D T 3 S+ 0 0 131 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.509 112.7 78.2 -66.0 -4.0 26.8 36.6 44.0 20 23 A N T 3 S+ 0 0 31 -19,-0.2 27,-2.3 26,-0.1 2,-0.4 0.387 78.4 89.9 -85.4 9.2 24.9 37.5 40.9 21 24 A Y E < +a 47 0A 18 -3,-1.6 2,-0.3 25,-0.2 27,-0.2 -0.818 48.0 177.0-107.9 143.4 27.9 39.2 39.3 22 25 A I E -a 48 0A 18 25,-2.4 27,-2.1 -2,-0.4 29,-0.1 -0.958 30.5-111.6-135.5 148.8 30.5 37.7 37.0 23 26 A T > - 0 0 26 -2,-0.3 4,-2.3 25,-0.2 5,-0.2 -0.123 32.6-106.2 -72.0 168.1 33.4 39.3 35.2 24 27 A K H > S+ 0 0 62 1,-0.2 4,-3.1 2,-0.2 5,-0.1 0.946 122.2 50.6 -57.6 -48.3 33.6 39.7 31.4 25 28 A S H > S+ 0 0 74 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.810 110.1 47.8 -62.9 -39.9 36.2 36.9 31.3 26 29 A E H > S+ 0 0 99 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.852 114.8 48.5 -65.1 -40.2 34.1 34.5 33.4 27 30 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 3,-1.0 0.951 109.4 50.6 -64.6 -48.4 31.2 35.4 31.1 28 31 A Q H ><5S+ 0 0 110 -4,-3.1 3,-1.5 1,-0.3 -1,-0.2 0.862 105.4 58.3 -59.4 -37.5 33.1 34.9 28.0 29 32 A A H 3<5S+ 0 0 90 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.695 103.5 53.3 -64.8 -24.9 34.2 31.5 29.3 30 33 A L T <<5S- 0 0 93 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.251 130.8 -88.5 -91.2 3.5 30.5 30.5 29.6 31 34 A G T < 5S+ 0 0 37 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.573 70.4 158.1 99.3 11.1 29.7 31.4 25.9 32 35 A W < - 0 0 21 -5,-2.2 2,-0.5 -6,-0.1 -1,-0.3 -0.492 18.5-172.3 -66.0 134.3 28.8 35.0 26.3 33 36 A V > > - 0 0 75 -2,-0.2 3,-1.3 1,-0.1 5,-1.1 -0.979 13.6-155.5-128.0 109.2 29.1 36.9 22.9 34 37 A A G > 5S+ 0 0 56 -2,-0.5 3,-1.4 1,-0.3 46,-0.2 0.824 91.9 60.3 -55.5 -36.9 28.6 40.6 23.4 35 38 A S G 3 5S+ 0 0 112 1,-0.3 -1,-0.3 2,-0.1 44,-0.1 0.577 107.2 46.5 -67.6 -14.2 27.6 41.1 19.8 36 39 A K G < 5S- 0 0 80 -3,-1.3 -1,-0.3 42,-0.1 -2,-0.2 0.497 97.1-134.9-104.3 -10.1 24.7 38.7 20.4 37 40 A G T < 5 + 0 0 13 -3,-1.4 41,-0.5 -4,-0.4 3,-0.3 0.845 58.3 140.0 54.1 38.4 23.3 40.1 23.7 38 41 A N >>< + 0 0 31 -5,-1.1 3,-2.0 1,-0.2 4,-1.6 0.250 16.5 117.1-101.2 18.3 23.0 36.5 25.0 39 42 A L H 3> S+ 0 0 1 39,-0.4 4,-2.3 1,-0.3 -1,-0.2 0.811 76.0 53.4 -52.3 -42.8 24.2 36.8 28.6 40 43 A A H 34 S+ 0 0 29 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.611 107.5 53.0 -70.3 -16.1 20.9 35.7 30.1 41 44 A D H <4 S+ 0 0 134 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.794 119.8 30.5 -82.2 -40.9 20.9 32.6 27.9 42 45 A V H < S+ 0 0 43 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.671 136.6 24.9 -94.0 -18.5 24.3 31.4 29.0 43 46 A A S >< S- 0 0 7 -4,-2.3 3,-1.8 -5,-0.3 -1,-0.2 -0.470 82.9-154.9-147.1 70.2 24.3 32.8 32.5 44 47 A P T 3 S+ 0 0 92 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.251 77.0 3.8 -52.4 128.0 20.7 33.2 33.7 45 48 A G T 3 S+ 0 0 60 31,-0.3 2,-0.3 1,-0.3 -5,-0.1 0.544 102.1 120.2 69.9 18.4 20.3 35.9 36.4 46 49 A K < - 0 0 72 -3,-1.8 2,-0.3 -7,-0.2 -1,-0.3 -0.774 44.0-160.1-107.6 157.7 23.9 37.1 36.3 47 50 A S E -a 21 0A 3 -27,-2.3 -25,-2.4 -2,-0.3 2,-0.4 -0.911 29.0 -99.5-132.2 156.2 25.2 40.5 35.5 48 51 A I E +a 22 0A 2 -2,-0.3 24,-3.3 -27,-0.2 2,-0.3 -0.603 62.8 132.3 -77.4 130.9 28.6 41.7 34.4 49 52 A G E +B 71 0B 4 -27,-2.1 22,-0.3 -2,-0.4 -2,-0.0 -0.947 29.5 56.9-174.9 152.3 30.6 43.2 37.3 50 53 A G E + 0 0 11 20,-3.4 21,-0.1 1,-0.3 -27,-0.1 0.193 62.0 131.9 110.2 -16.7 33.9 43.2 39.1 51 54 A D E - 0 0 36 19,-0.3 19,-1.9 -29,-0.1 -1,-0.3 -0.410 64.6 -97.8 -74.9 151.0 36.4 44.2 36.4 52 55 A I E -B 69 0B 82 17,-0.2 2,-0.6 -2,-0.1 17,-0.3 -0.296 31.2-147.5 -62.7 137.6 38.9 47.0 37.0 53 56 A F - 0 0 37 15,-2.7 15,-0.5 1,-0.1 -1,-0.1 -0.959 6.0-147.6-110.1 115.9 37.9 50.3 35.6 54 57 A S - 0 0 103 -2,-0.6 -1,-0.1 1,-0.1 14,-0.1 0.766 2.7-157.3 -55.8 -45.4 41.0 52.4 34.4 55 58 A N > + 0 0 24 1,-0.1 3,-3.0 2,-0.1 -1,-0.1 0.748 34.9 154.6 68.7 22.4 39.9 56.0 35.0 56 59 A R T 3 S+ 0 0 101 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.877 70.5 56.8 -49.5 -40.8 42.5 56.9 32.3 57 60 A E T 3 S- 0 0 81 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.499 107.8-132.4 -69.1 -8.2 40.5 60.0 31.8 58 61 A G < + 0 0 50 -3,-3.0 4,-0.2 1,-0.1 -2,-0.1 0.769 62.7 137.1 60.4 25.5 40.9 60.8 35.5 59 62 A K + 0 0 119 41,-0.1 44,-0.1 2,-0.1 -1,-0.1 0.825 60.2 58.0 -71.7 -34.1 37.2 61.6 35.9 60 63 A L S S- 0 0 3 1,-0.1 2,-0.2 -5,-0.1 8,-0.0 -0.716 108.5 -89.2 -91.8 146.6 36.9 59.7 39.2 61 64 A P - 0 0 55 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.401 45.2-147.7 -65.7 125.3 39.2 60.9 42.0 62 65 A G + 0 0 62 -2,-0.2 2,-0.3 -4,-0.2 5,-0.1 -0.418 22.1 168.6 -89.5 162.3 42.5 59.2 42.1 63 66 A K > - 0 0 84 3,-0.4 3,-2.5 -2,-0.1 2,-0.2 -0.843 46.0 -93.4-174.0 137.0 44.7 58.3 45.1 64 67 A S T 3 S+ 0 0 130 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.345 117.1 18.8 -62.3 124.6 47.8 56.1 45.3 65 68 A G T 3 S+ 0 0 74 1,-0.3 2,-0.6 -2,-0.2 -1,-0.3 0.580 96.3 122.2 89.1 3.0 46.6 52.7 46.2 66 69 A R < - 0 0 44 -3,-2.5 2,-0.4 23,-0.1 -3,-0.4 -0.915 39.5-174.4-101.3 123.0 43.1 53.4 45.1 67 70 A T - 0 0 62 -2,-0.6 22,-1.2 -3,-0.1 2,-0.4 -0.922 12.4-143.7-115.4 138.2 41.7 51.0 42.5 68 71 A W E - C 0 88B 9 -15,-0.5 -15,-2.7 -2,-0.4 2,-0.3 -0.838 16.0-177.2-107.1 144.0 38.4 51.4 40.8 69 72 A R E -BC 52 87B 97 18,-2.3 18,-2.5 -2,-0.4 2,-0.3 -0.863 11.2-146.3-130.8 160.8 36.0 48.6 39.7 70 73 A E E - C 0 86B 16 -19,-1.9 -20,-3.4 -2,-0.3 -19,-0.3 -0.861 11.1-174.2-128.6 161.2 32.7 48.6 37.9 71 74 A A E -BC 49 85B 0 14,-1.7 14,-3.4 -2,-0.3 -22,-0.3 -0.971 29.9-111.8-151.5 142.9 29.5 46.7 37.9 72 75 A D E - C 0 84B 0 -24,-3.3 2,-0.3 -2,-0.3 12,-0.3 -0.548 31.4-153.5 -76.7 148.8 26.4 46.8 35.7 73 76 A A + 0 0 0 10,-1.9 10,-0.3 -2,-0.2 -70,-0.2 -0.906 66.9 8.6-118.2 151.6 23.2 48.0 37.4 74 77 A N S S+ 0 0 64 -72,-4.3 2,-0.3 -2,-0.3 -1,-0.2 0.610 81.9 150.6 57.5 29.3 19.6 47.2 36.5 75 78 A Y + 0 0 9 -73,-0.2 -1,-0.2 -3,-0.2 3,-0.1 -0.738 11.1 153.1 -94.1 141.8 20.4 44.5 33.9 76 79 A T - 0 0 105 1,-0.5 -31,-0.3 -2,-0.3 2,-0.3 0.587 63.9 -26.9-128.7 -48.7 18.0 41.6 33.3 77 80 A S S S+ 0 0 77 2,-0.2 -1,-0.5 -33,-0.1 2,-0.2 -0.971 95.0 34.3-162.5 168.2 18.5 40.4 29.8 78 81 A G S S- 0 0 32 -41,-0.5 -39,-0.4 -2,-0.3 -38,-0.2 -0.467 101.4 -2.3 83.5-154.2 19.6 41.3 26.2 79 82 A F S S- 0 0 137 -2,-0.2 -2,-0.2 1,-0.1 -44,-0.1 -0.349 88.0 -93.6 -67.3 144.4 22.4 43.8 25.5 80 83 A R - 0 0 60 -46,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.363 43.7-135.0 -56.7 150.6 24.1 45.5 28.4 81 84 A N - 0 0 42 -8,-0.2 -1,-0.1 2,-0.2 -6,-0.1 -0.097 25.4 -96.5 -94.7-165.2 22.5 48.9 29.3 82 85 A S S S+ 0 0 37 15,-0.2 17,-1.7 -2,-0.1 2,-0.5 0.359 85.1 109.5-101.7 8.1 24.2 52.2 30.1 83 86 A D + 0 0 28 -10,-0.3 -10,-1.9 14,-0.2 2,-0.4 -0.727 39.5 168.7 -89.1 124.5 24.1 51.9 33.9 84 87 A R E -CD 72 96B 9 12,-2.5 12,-1.7 -2,-0.5 2,-0.5 -0.998 28.8-144.6-137.6 137.7 27.2 51.2 35.9 85 88 A I E -CD 71 95B 0 -14,-3.4 -14,-1.7 -2,-0.4 2,-0.5 -0.907 18.6-160.1 -96.7 130.3 28.2 51.3 39.6 86 89 A L E +CD 70 94B 0 8,-2.9 8,-3.1 -2,-0.5 2,-0.4 -0.956 16.1 176.5-110.2 125.9 31.8 52.6 40.1 87 90 A Y E -CD 69 93B 18 -18,-2.5 -18,-2.3 -2,-0.5 6,-0.2 -0.994 15.9-144.1-134.7 137.0 33.4 51.6 43.4 88 91 A S E > -C 68 0B 1 4,-2.4 3,-2.2 -2,-0.4 -20,-0.2 -0.460 32.7-105.4 -96.6 169.8 36.8 52.1 44.9 89 92 A S T 3 S+ 0 0 58 -22,-1.2 -21,-0.1 1,-0.3 -1,-0.1 0.742 125.4 51.1 -61.0 -21.6 39.1 50.0 47.1 90 93 A D T 3 S- 0 0 72 -23,-0.2 -1,-0.3 2,-0.1 -24,-0.0 0.216 122.2-107.4-104.4 17.5 38.1 52.5 49.9 91 94 A W < + 0 0 67 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.774 63.4 151.8 63.5 37.4 34.4 52.1 49.2 92 95 A L - 0 0 41 14,-0.0 -4,-2.4 13,-0.0 2,-0.4 -0.772 32.9-154.1 -87.1 133.1 33.6 55.4 47.5 93 96 A I E +D 87 0B 0 14,-1.7 13,-3.4 -2,-0.4 14,-2.1 -0.989 18.2 174.2-125.2 125.1 30.6 54.6 45.3 94 97 A Y E -DE 86 105B 43 -8,-3.1 -8,-2.9 -2,-0.4 2,-0.3 -0.867 15.4-145.5-124.1 157.2 29.8 56.6 42.1 95 98 A K E -DE 85 104B 65 9,-2.7 9,-1.7 -2,-0.3 2,-0.3 -0.942 10.5-172.3-130.0 149.4 27.2 56.1 39.5 96 99 A T E +D 84 0B 2 -12,-1.7 -12,-2.5 -2,-0.3 7,-0.1 -0.985 11.5 176.1-136.1 138.4 27.0 56.6 35.7 97 100 A T S S+ 0 0 73 -2,-0.3 -15,-0.2 5,-0.3 -14,-0.2 0.153 78.1 61.9-121.5 9.5 23.9 56.2 33.6 98 101 A D S > S- 0 0 42 4,-0.4 3,-0.6 -14,-0.1 -15,-0.1 -0.131 120.7 -83.7-133.2 43.5 25.6 57.4 30.4 99 102 A H T 3 S- 0 0 102 -17,-1.7 -16,-0.1 1,-0.2 -17,-0.0 0.899 88.7 -54.3 59.4 46.1 28.4 55.0 29.6 100 103 A Y T 3 S+ 0 0 54 -18,-0.4 -1,-0.2 2,-0.3 3,-0.1 0.656 107.8 117.3 65.7 20.4 31.0 56.6 31.9 101 104 A Q S < S+ 0 0 124 -3,-0.6 2,-0.3 1,-0.3 -2,-0.1 0.894 83.3 17.9 -77.6 -51.2 30.7 60.1 30.4 102 105 A T - 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