==== 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 19-MAY-93 1BAN . COMPND 2 MOLECULE: BARNASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR Y.W.CHEN,A.R.FERSHT,K.HENRICK . 325 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 52.9 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 . 3 0.9 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 . 9 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 1 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 2 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 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 0 123 0, 0.0 2,-1.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 126.0 17.8 40.0 42.4 2 4 A I + 0 0 65 1,-0.2 19,-0.2 5,-0.1 3,-0.0 -0.756 360.0 124.7 -86.1 89.2 19.9 42.7 44.0 3 5 A N + 0 0 18 -2,-1.3 72,-3.2 72,-0.0 2,-0.4 0.124 37.5 105.5-136.3 12.7 20.6 44.8 40.8 4 6 A T S > S- 0 0 69 70,-0.2 4,-3.8 -3,-0.2 3,-0.2 -0.823 78.1-117.1-100.8 148.0 19.3 48.2 41.8 5 7 A F H > S+ 0 0 25 -2,-0.4 4,-2.1 1,-0.3 5,-0.1 0.722 117.1 41.9 -42.6 -45.1 21.6 51.2 42.7 6 8 A D H > S+ 0 0 103 2,-0.2 4,-3.3 3,-0.2 5,-0.3 0.862 115.3 50.2 -77.1 -37.6 20.3 51.3 46.3 7 9 A G H > S+ 0 0 24 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.933 115.3 42.7 -64.7 -48.3 20.3 47.6 46.7 8 10 A V H X S+ 0 0 0 -4,-3.8 4,-3.1 2,-0.2 -2,-0.2 0.933 116.7 46.6 -64.2 -49.4 23.8 47.3 45.4 9 11 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.950 113.9 46.9 -61.2 -49.0 25.1 50.3 47.4 10 12 A D H X S+ 0 0 96 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.925 118.0 44.8 -59.9 -36.5 23.4 49.2 50.7 11 13 A Y H X S+ 0 0 47 -4,-2.1 4,-3.4 -5,-0.3 5,-0.5 0.917 107.7 54.2 -63.7 -52.9 24.8 45.7 50.2 12 14 A L H X S+ 0 0 1 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.878 113.5 47.5 -54.0 -40.2 28.3 46.7 49.2 13 15 A Q H < S+ 0 0 47 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.954 116.3 38.0 -73.0 -55.1 28.4 48.6 52.4 14 16 A T H < S+ 0 0 82 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.822 131.3 27.8 -73.3 -28.8 27.0 46.0 54.9 15 17 A Y H < S- 0 0 123 -4,-3.4 -3,-0.2 2,-0.3 -2,-0.2 0.566 88.4-136.5-103.9 -12.1 28.8 43.0 53.3 16 18 A H S < S+ 0 0 106 -4,-1.6 2,-0.3 -5,-0.5 -4,-0.2 0.677 77.7 77.8 64.3 17.4 31.9 44.5 51.7 17 19 A K S S- 0 0 129 -6,-0.4 -2,-0.3 -5,-0.1 -1,-0.2 -0.962 87.9 -92.2-149.5 163.7 31.2 42.3 48.6 18 20 A L - 0 0 31 -2,-0.3 -10,-0.0 1,-0.2 2,-0.0 -0.404 49.5-101.6 -76.2 148.8 29.0 42.2 45.6 19 21 A P > - 0 0 5 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 -0.208 41.4 -96.5 -66.1 161.9 25.8 40.3 45.8 20 22 A D T 3 S+ 0 0 58 1,-0.3 -2,-0.1 -3,-0.1 27,-0.0 0.686 110.9 74.4 -54.0 -30.5 25.7 36.8 44.3 21 23 A N T 3 S+ 0 0 17 -19,-0.2 27,-2.5 26,-0.1 2,-0.3 0.411 80.5 92.3 -72.6 -3.0 24.2 37.7 41.0 22 24 A Y E < +a 48 0A 18 -3,-1.6 2,-0.3 25,-0.2 27,-0.2 -0.820 43.2 168.5-104.9 151.5 27.4 39.2 39.6 23 25 A I E -a 49 0A 28 25,-1.4 27,-2.3 -2,-0.3 29,-0.2 -0.915 36.0-104.8-146.8 156.6 30.2 37.7 37.6 24 26 A T > - 0 0 33 -2,-0.3 4,-2.3 25,-0.2 5,-0.1 -0.396 31.8-111.8 -80.4 162.4 33.2 39.2 35.8 25 27 A K H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.814 119.5 53.9 -67.5 -29.4 33.2 39.5 32.0 26 28 A S H > S+ 0 0 74 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.875 112.0 44.2 -66.4 -43.3 36.1 36.9 31.8 27 29 A E H > S+ 0 0 99 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.923 113.7 51.4 -55.5 -50.6 33.9 34.5 33.9 28 30 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-0.7 0.940 107.6 52.6 -55.7 -54.2 31.0 35.4 31.7 29 31 A Q H ><5S+ 0 0 116 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.788 103.1 58.9 -58.4 -34.0 33.0 34.7 28.6 30 32 A A H 3<5S+ 0 0 88 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.802 102.7 51.9 -66.7 -35.0 34.0 31.3 29.9 31 33 A L T <<5S- 0 0 99 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.161 132.8 -84.1 -86.2 12.9 30.3 30.2 30.1 32 34 A G T < 5S+ 0 0 37 -3,-1.0 -3,-0.2 1,-0.2 2,-0.2 0.436 71.6 156.8 97.4 6.3 29.5 31.2 26.5 33 35 A W < - 0 0 24 -5,-2.1 2,-0.5 -6,-0.2 -1,-0.2 -0.325 16.8-175.2 -64.7 130.4 28.8 34.9 26.7 34 36 A V >>> - 0 0 82 -2,-0.2 3,-1.5 1,-0.2 4,-1.0 -0.975 18.1-150.7-122.6 116.4 29.3 36.8 23.3 35 37 A A G >45S+ 0 0 58 -2,-0.5 3,-1.1 1,-0.3 -1,-0.2 0.942 94.5 59.0 -56.6 -44.4 28.8 40.6 23.7 36 38 A S G 345S+ 0 0 113 1,-0.2 -1,-0.3 -3,-0.1 44,-0.1 0.530 106.6 45.7 -58.8 -17.1 27.6 40.8 20.0 37 39 A K G <45S- 0 0 61 -3,-1.5 -1,-0.2 42,-0.1 -2,-0.2 0.574 96.2-136.4-103.4 -17.2 24.7 38.4 20.5 38 40 A G T <<5 + 0 0 15 -3,-1.1 41,-0.4 -4,-1.0 3,-0.2 0.888 56.9 140.7 58.5 44.1 23.4 40.0 23.8 39 41 A N >>< + 0 0 32 -5,-0.8 3,-1.8 1,-0.1 4,-1.3 0.095 16.0 116.3-100.1 13.3 23.0 36.4 25.2 40 42 A L H 3> S+ 0 0 0 39,-0.4 4,-2.7 1,-0.3 7,-0.2 0.867 76.3 57.3 -50.1 -41.3 24.1 36.6 28.9 41 43 A A H 34 S+ 0 0 28 1,-0.2 -1,-0.3 38,-0.2 5,-0.2 0.789 107.1 51.9 -64.1 -27.3 20.7 35.7 30.2 42 44 A D H <4 S+ 0 0 129 -3,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.861 119.3 29.7 -75.4 -45.3 21.0 32.5 28.2 43 45 A V H < S+ 0 0 43 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.2 0.663 135.9 28.1 -87.8 -23.6 24.4 31.3 29.4 44 46 A A S >< S- 0 0 5 -4,-2.7 3,-1.8 -5,-0.3 -1,-0.2 -0.545 84.1-154.2-146.1 68.1 24.1 32.8 32.9 45 47 A P T 3 S+ 0 0 96 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.072 76.7 5.2 -47.0 134.2 20.5 33.1 33.9 46 48 A G T 3 S+ 0 0 58 31,-0.2 2,-0.3 1,-0.2 -5,-0.1 0.656 104.7 116.3 62.7 20.5 19.7 35.8 36.4 47 49 A K < - 0 0 72 -3,-1.8 2,-0.3 -7,-0.2 -1,-0.2 -0.747 42.3-165.9-118.5 158.9 23.3 37.3 36.5 48 50 A S E -a 22 0A 2 -27,-2.5 -25,-1.4 -2,-0.3 2,-0.4 -0.938 32.8 -94.4-135.5 160.3 24.9 40.6 35.5 49 51 A I E +a 23 0A 2 -2,-0.3 24,-3.1 -27,-0.2 2,-0.3 -0.639 60.0 132.1 -84.9 130.4 28.4 41.7 35.0 50 52 A G E +B 72 0B 3 -27,-2.3 22,-0.3 -2,-0.4 -2,-0.1 -0.882 34.2 60.0-172.3 150.8 30.2 43.3 37.9 51 53 A G E + 0 0 11 20,-3.5 2,-0.2 1,-0.4 21,-0.1 0.277 62.1 130.1 111.0 -4.0 33.5 43.3 39.9 52 54 A D E - 0 0 33 19,-0.5 19,-2.9 -29,-0.2 -1,-0.4 -0.500 65.7-101.9 -78.9 151.2 36.0 44.2 37.2 53 55 A I E -B 70 0B 93 17,-0.2 2,-0.6 -2,-0.2 17,-0.3 -0.534 26.8-140.4 -74.0 129.1 38.5 47.0 38.1 54 56 A F E -B 69 0B 32 15,-2.6 15,-0.6 -2,-0.2 -1,-0.0 -0.923 7.2-149.0-103.2 126.2 37.7 50.3 36.6 55 57 A S - 0 0 93 -2,-0.6 -1,-0.1 13,-0.1 -2,-0.0 0.516 11.4-147.2 -69.4 -17.1 40.9 51.9 35.5 56 58 A N > + 0 0 31 1,-0.1 3,-1.7 2,-0.1 -1,-0.1 0.804 31.4 167.6 46.0 42.4 39.9 55.6 36.0 57 59 A R T 3 S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.886 70.4 47.1 -46.8 -51.2 42.1 56.6 33.1 58 60 A E T 3 S- 0 0 79 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.156 102.7-125.6 -91.5 22.2 40.6 60.1 32.9 59 61 A G < + 0 0 57 -3,-1.7 4,-0.2 1,-0.1 -2,-0.1 0.637 67.3 135.1 44.8 26.2 40.8 60.9 36.6 60 62 A K + 0 0 84 2,-0.1 -1,-0.1 43,-0.0 44,-0.1 0.831 61.1 65.4 -68.6 -28.4 37.1 61.7 36.7 61 63 A L S S- 0 0 3 1,-0.1 8,-0.0 34,-0.0 -2,-0.0 -0.730 107.6 -81.7 -96.9 137.8 36.9 59.7 40.0 62 64 A P - 0 0 44 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.059 52.6-146.3 -40.1 118.4 38.6 60.6 43.3 63 65 A G + 0 0 66 -4,-0.2 2,-0.3 -3,-0.0 5,-0.1 -0.512 29.9 150.3 -94.4 157.1 42.2 59.5 43.1 64 66 A K > - 0 0 133 3,-0.3 3,-1.1 -2,-0.2 2,-0.6 -0.897 47.8-105.0-177.1 142.6 44.4 58.1 45.9 65 67 A S T 3 S+ 0 0 125 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.637 111.9 28.6 -84.4 126.9 47.3 55.7 46.0 66 68 A G T 3 S+ 0 0 80 -2,-0.6 2,-0.5 1,-0.4 -1,-0.2 0.332 96.6 114.1 110.3 -12.2 46.1 52.5 47.5 67 69 A R < - 0 0 42 -3,-1.1 2,-0.5 23,-0.1 -1,-0.4 -0.830 46.0-168.5 -85.9 119.3 42.6 53.1 46.2 68 70 A T - 0 0 54 -2,-0.5 22,-1.3 -3,-0.1 2,-0.3 -0.953 11.2-144.4-120.9 134.4 41.2 50.7 43.6 69 71 A W E -BC 54 89B 10 -15,-0.6 -15,-2.6 -2,-0.5 2,-0.3 -0.787 16.1-167.9 -94.1 144.1 38.0 51.5 41.7 70 72 A R E -BC 53 88B 83 18,-3.0 18,-2.7 -2,-0.3 -17,-0.2 -0.989 5.2-147.8-133.5 148.0 35.5 48.7 40.7 71 73 A E E + C 0 87B 18 -19,-2.9 -20,-3.5 -2,-0.3 -19,-0.5 -0.650 13.6 175.5-112.4 158.3 32.5 48.6 38.4 72 74 A A E -BC 50 86B 0 14,-1.4 14,-2.4 -22,-0.3 -22,-0.3 -0.963 32.3-109.7-163.9 139.5 29.2 46.7 38.2 73 75 A D E - C 0 85B 1 -24,-3.1 2,-0.3 -2,-0.3 12,-0.3 -0.594 31.6-152.7 -69.5 137.5 26.1 46.8 35.9 74 76 A I + 0 0 0 10,-3.0 10,-0.3 -2,-0.2 8,-0.2 -0.854 66.7 7.6-118.5 153.7 22.9 48.2 37.3 75 77 A N S S+ 0 0 71 -72,-3.2 2,-0.4 -2,-0.3 -1,-0.2 0.632 83.0 156.4 54.8 33.9 19.3 47.4 36.3 76 78 A Y + 0 0 10 -73,-0.2 -1,-0.2 -3,-0.2 3,-0.1 -0.685 12.6 150.5 -90.0 137.2 20.2 44.5 34.0 77 79 A T - 0 0 110 1,-0.5 2,-0.3 -2,-0.4 -31,-0.2 0.728 63.7 -32.8-127.7 -56.0 17.7 41.8 33.2 78 80 A S S S+ 0 0 75 2,-0.2 -1,-0.5 -32,-0.1 2,-0.1 -0.881 95.6 38.8-154.3-177.2 18.4 40.3 29.7 79 81 A G S S- 0 0 31 -41,-0.4 -39,-0.4 -2,-0.3 -38,-0.2 -0.331 101.4 -4.1 77.4-154.2 19.6 41.4 26.3 80 82 A F S S- 0 0 140 1,-0.1 -2,-0.2 -2,-0.1 -44,-0.1 -0.493 86.3 -96.1 -73.1 144.3 22.4 43.9 25.5 81 83 A R - 0 0 67 -2,-0.1 -1,-0.1 -46,-0.1 -33,-0.0 -0.325 40.7-133.1 -65.3 155.8 24.0 45.5 28.6 82 84 A N - 0 0 45 -8,-0.2 -1,-0.1 2,-0.2 -6,-0.1 -0.010 22.1-102.7 -92.4-158.6 22.7 49.0 29.5 83 85 A S S S+ 0 0 37 15,-0.1 17,-2.0 17,-0.0 2,-0.5 0.445 83.3 109.3-107.4 -0.5 24.5 52.3 30.3 84 86 A D + 0 0 26 -10,-0.3 -10,-3.0 14,-0.2 2,-0.3 -0.755 39.8 160.2 -85.9 122.5 24.0 52.1 34.1 85 87 A R E -CD 73 97B 4 12,-2.2 12,-2.0 -2,-0.5 2,-0.4 -0.933 31.6-142.5-146.9 155.1 26.9 51.3 36.4 86 88 A I E -CD 72 96B 0 -14,-2.4 -14,-1.4 -2,-0.3 2,-0.4 -0.916 16.0-156.6-117.2 144.1 27.9 51.6 40.0 87 89 A L E -CD 71 95B 0 8,-2.8 8,-2.9 -2,-0.4 2,-0.3 -0.999 14.6-179.0-127.2 119.2 31.6 52.4 40.8 88 90 A Y E -CD 70 94B 14 -18,-2.7 -18,-3.0 -2,-0.4 2,-0.2 -0.942 12.8-145.6-126.5 143.3 32.9 51.4 44.2 89 91 A A E > -C 69 0B 1 4,-1.6 3,-1.8 -2,-0.3 -20,-0.2 -0.655 29.5-111.2-104.4 161.1 36.3 51.9 45.8 90 92 A S T 3 S+ 0 0 48 -22,-1.3 -21,-0.1 1,-0.3 -1,-0.1 0.715 123.7 50.5 -65.6 -19.4 38.4 49.8 48.1 91 93 A D T 3 S- 0 0 59 -23,-0.1 -1,-0.3 2,-0.1 -24,-0.0 0.255 123.5-111.2-101.0 1.9 37.7 52.5 50.8 92 94 A W < + 0 0 84 -3,-1.8 2,-0.5 1,-0.3 -2,-0.1 0.846 61.6 151.6 67.1 48.9 34.1 52.2 49.9 93 95 A L - 0 0 41 14,-0.0 -4,-1.6 13,-0.0 2,-0.4 -0.908 33.6-149.7 -97.1 129.6 33.1 55.5 48.3 94 96 A I E +D 88 0B 3 14,-2.0 13,-3.5 -2,-0.5 14,-1.7 -0.930 19.3 175.1-117.1 133.6 30.2 54.7 45.9 95 97 A Y E -DE 87 106B 36 -8,-2.9 -8,-2.8 -2,-0.4 2,-0.3 -0.859 15.0-146.2-123.5 159.0 29.5 56.6 42.6 96 98 A K E -DE 86 105B 69 9,-1.8 9,-1.3 -2,-0.3 2,-0.3 -0.874 8.4-168.5-125.9 155.8 26.9 56.0 39.9 97 99 A T E +D 85 0B 2 -12,-2.0 -12,-2.2 -2,-0.3 7,-0.1 -0.947 16.0 170.9-146.0 145.1 26.9 56.5 36.2 98 100 A T S S+ 0 0 73 5,-0.4 -14,-0.2 -2,-0.3 -15,-0.1 0.195 77.6 62.1-135.9 5.6 23.9 56.4 33.8 99 101 A D S > S- 0 0 45 4,-0.4 3,-0.8 -16,-0.1 -15,-0.1 -0.244 120.4 -88.4-130.9 33.6 25.7 57.7 30.7 100 102 A H T 3 S- 0 0 98 -17,-2.0 -16,-0.1 1,-0.2 -17,-0.0 0.960 88.4 -44.7 56.1 64.3 28.3 55.0 30.2 101 103 A Y T 3 S+ 0 0 55 -18,-0.4 -1,-0.2 2,-0.2 3,-0.1 0.450 110.7 112.0 60.7 8.7 31.1 56.4 32.3 102 104 A Q S < S+ 0 0 131 -3,-0.8 2,-0.4 1,-0.2 -2,-0.1 0.970 81.0 20.5 -73.7 -56.1 30.8 60.0 31.1 103 105 A T - 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