==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-OCT-09 3KCH . COMPND 2 MOLECULE: RIBONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR T.PRANGE,M.SALEM,Y.MAUGUEN . 324 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17592.0 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 . 58 17.9 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 . 12 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.6 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 . 7 2.2 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 0 131 0, 0.0 2,-0.7 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 131.3 -5.1 15.5 -6.3 2 4 A I + 0 0 59 1,-0.1 19,-0.1 5,-0.1 0, 0.0 -0.887 360.0 133.1-106.5 105.3 -3.1 12.5 -5.3 3 5 A N + 0 0 27 -2,-0.7 72,-3.1 71,-0.1 2,-0.3 0.096 35.3 107.3-143.7 26.2 -1.5 10.9 -8.3 4 6 A T S > S- 0 0 67 70,-0.2 4,-2.9 71,-0.1 5,-0.4 -0.752 76.0-114.9-100.7 156.1 2.1 10.2 -7.4 5 7 A F H > S+ 0 0 26 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.916 116.9 41.1 -50.7 -49.6 3.6 6.8 -6.7 6 8 A D H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.896 115.5 49.0 -71.6 -41.2 4.3 7.6 -3.1 7 9 A G H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.942 117.0 40.6 -64.9 -45.6 1.0 9.5 -2.4 8 10 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.917 112.9 55.7 -71.1 -40.4 -1.1 6.8 -3.9 9 11 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.4 -1,-0.2 0.928 112.0 41.8 -54.5 -48.7 0.9 4.0 -2.4 10 12 A D H X S+ 0 0 75 -4,-2.3 4,-1.4 1,-0.2 5,-0.3 0.837 112.5 54.7 -73.7 -29.9 0.5 5.4 1.1 11 13 A Y H X>S+ 0 0 42 -4,-1.8 4,-2.7 -5,-0.2 5,-0.6 0.924 109.1 48.4 -65.4 -43.7 -3.2 6.2 0.6 12 14 A L H X5S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.903 111.6 48.1 -62.0 -44.3 -3.9 2.6 -0.5 13 15 A Q H <5S+ 0 0 68 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.771 122.0 34.0 -73.6 -27.8 -2.1 1.0 2.5 14 16 A T H <5S+ 0 0 86 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.892 133.5 24.2 -90.4 -48.8 -3.7 3.2 5.1 15 17 A Y H <5S- 0 0 122 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.612 91.5-136.8-100.4 -16.6 -7.2 3.8 3.7 16 18 A H S < - 0 0 6 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.251 43.6 -98.5 -60.8 164.2 -8.1 8.6 -3.8 20 22 A D T 3 S+ 0 0 126 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.603 113.3 75.7 -65.6 -14.9 -11.2 10.2 -5.2 21 23 A N T 3 S+ 0 0 15 -19,-0.1 27,-2.6 26,-0.1 2,-0.4 0.326 79.4 96.1 -85.2 13.4 -9.5 11.4 -8.4 22 24 A Y E < +a 48 0A 20 -3,-1.2 2,-0.3 25,-0.2 27,-0.2 -0.836 45.2 174.0-106.2 140.1 -9.6 7.9 -9.9 23 25 A I E -a 49 0A 20 25,-2.5 27,-2.0 -2,-0.4 29,-0.2 -0.993 31.1-114.0-134.7 146.6 -12.2 6.4 -12.2 24 26 A T > - 0 0 32 -2,-0.3 4,-2.3 25,-0.2 5,-0.2 -0.227 32.3-107.2 -70.4 166.9 -12.2 3.0 -13.9 25 27 A K H > S+ 0 0 59 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.923 120.9 54.7 -59.6 -43.5 -12.0 2.6 -17.7 26 28 A S H > S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.884 109.1 46.4 -57.0 -45.0 -15.7 1.7 -17.8 27 29 A E H > S+ 0 0 101 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.898 113.0 50.5 -65.1 -41.2 -16.7 4.8 -16.0 28 30 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 3,-1.0 0.924 107.5 52.3 -63.6 -44.1 -14.5 6.9 -18.2 29 31 A Q H ><5S+ 0 0 127 -4,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.855 105.4 56.4 -60.2 -34.0 -15.9 5.4 -21.4 30 32 A A H 3<5S+ 0 0 84 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.704 103.4 54.2 -70.4 -22.4 -19.4 6.2 -20.0 31 33 A L T <<5S- 0 0 97 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.370 131.9 -91.6 -91.0 0.5 -18.4 9.9 -19.7 32 34 A G T < 5 + 0 0 35 -3,-1.2 2,-0.3 -4,-0.3 -3,-0.2 0.587 67.1 163.6 99.0 14.1 -17.3 10.0 -23.4 33 35 A W < - 0 0 21 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.3 -0.503 16.6-170.0 -61.5 124.4 -13.7 9.0 -23.0 34 36 A V >>> - 0 0 58 -2,-0.3 3,-2.5 1,-0.1 5,-0.9 -0.926 9.6-158.9-117.9 104.5 -12.3 8.0 -26.4 35 37 A A G >45S+ 0 0 55 -2,-0.5 3,-1.4 1,-0.3 46,-0.2 0.851 89.7 57.2 -54.4 -40.8 -8.9 6.4 -25.9 36 38 A S G 345S+ 0 0 112 1,-0.3 -1,-0.3 2,-0.1 44,-0.1 0.569 108.6 48.4 -68.2 -9.7 -7.8 7.0 -29.5 37 39 A K G <45S- 0 0 153 -3,-2.5 -1,-0.3 42,-0.1 -2,-0.2 0.443 99.9-133.9-107.9 -7.8 -8.5 10.7 -29.1 38 40 A G T <<5 + 0 0 10 -3,-1.4 41,-0.4 -4,-0.7 3,-0.4 0.823 58.3 139.6 61.6 33.2 -6.6 11.2 -25.9 39 41 A N >>< + 0 0 26 -5,-0.9 4,-1.7 1,-0.2 3,-1.2 0.197 16.3 116.6-103.6 19.4 -9.5 13.2 -24.5 40 42 A L H 3> S+ 0 0 0 39,-0.4 4,-2.4 1,-0.3 -1,-0.2 0.882 77.6 54.5 -56.0 -41.4 -9.9 12.0 -20.8 41 43 A A H 34 S+ 0 0 26 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.782 107.3 51.7 -65.2 -26.7 -9.0 15.5 -19.4 42 44 A D H <4 S+ 0 0 136 -3,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.878 118.9 33.7 -73.9 -39.9 -11.8 17.1 -21.5 43 45 A V H < S+ 0 0 46 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.677 137.0 20.2 -94.4 -14.8 -14.5 14.7 -20.4 44 46 A A S >< S- 0 0 7 -4,-2.4 3,-1.9 -5,-0.3 -1,-0.2 -0.439 78.4-161.8-150.6 72.4 -13.3 14.2 -16.8 45 47 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.257 77.3 15.1 -61.3 139.1 -10.9 17.0 -15.7 46 48 A G T 3 S+ 0 0 53 31,-0.4 2,-0.3 1,-0.3 -5,-0.1 0.375 102.4 115.3 80.9 -5.5 -8.7 16.1 -12.7 47 49 A K < - 0 0 77 -3,-1.9 2,-0.3 -7,-0.2 -1,-0.3 -0.701 45.5-163.1-100.0 152.9 -9.4 12.4 -13.0 48 50 A S E -a 22 0A 4 -27,-2.6 -25,-2.5 -2,-0.3 2,-0.3 -0.941 31.0-102.5-123.9 150.6 -7.1 9.5 -13.8 49 51 A I E +a 23 0A 0 -2,-0.3 24,-3.4 -27,-0.2 2,-0.3 -0.575 63.9 128.1 -65.5 127.5 -7.8 5.9 -14.9 50 52 A G E +B 72 0B 3 -27,-2.0 22,-0.3 -2,-0.3 -2,-0.0 -0.919 29.3 64.1-176.0 156.6 -7.5 3.5 -12.0 51 53 A G E + 0 0 11 20,-3.2 21,-0.2 1,-0.3 -27,-0.1 0.246 65.7 134.0 110.9 -11.9 -9.2 0.7 -10.0 52 54 A D E -B 71 0B 30 19,-0.5 19,-2.4 -29,-0.2 -1,-0.3 -0.411 63.1 -99.4 -77.3 148.8 -9.4 -1.8 -12.8 53 55 A I E -B 70 0B 90 17,-0.2 2,-0.6 -2,-0.1 17,-0.3 -0.400 28.3-147.9 -57.0 128.3 -8.5 -5.5 -12.4 54 56 A F - 0 0 32 15,-2.9 15,-0.4 -2,-0.2 -1,-0.0 -0.934 3.2-155.6-101.4 119.3 -5.0 -6.3 -13.7 55 57 A S - 0 0 98 -2,-0.6 -1,-0.1 1,-0.1 4,-0.1 0.721 16.6-143.6 -74.3 -19.5 -5.1 -9.9 -15.0 56 58 A N > + 0 0 21 2,-0.1 3,-2.2 1,-0.1 -1,-0.1 0.924 28.5 176.3 58.6 46.3 -1.4 -10.5 -14.5 57 59 A R T 3 S+ 0 0 202 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.889 74.6 46.6 -49.6 -51.1 -1.3 -12.6 -17.7 58 60 A E T 3 S- 0 0 114 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.270 106.4-126.7 -82.1 13.7 2.4 -13.1 -17.7 59 61 A G < + 0 0 53 -3,-2.2 4,-0.2 1,-0.1 -2,-0.1 0.863 64.1 141.5 45.0 40.0 2.3 -14.0 -14.0 60 62 A K + 0 0 95 2,-0.1 -1,-0.1 43,-0.0 44,-0.1 0.864 52.4 67.6 -79.4 -36.4 5.0 -11.4 -13.4 61 63 A L S S- 0 0 4 1,-0.1 2,-0.2 34,-0.0 8,-0.0 -0.612 107.2 -87.0 -83.2 145.7 3.5 -10.2 -10.1 62 64 A P - 0 0 50 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.314 51.2-153.4 -56.1 118.3 3.5 -12.6 -7.1 63 65 A G + 0 0 64 -4,-0.2 2,-0.3 -2,-0.2 5,-0.1 -0.633 21.4 163.9 -93.1 151.4 0.4 -14.7 -7.3 64 66 A K > - 0 0 130 3,-0.3 3,-2.3 -2,-0.2 2,-0.1 -0.960 47.3 -82.7-158.3 154.0 -1.6 -16.4 -4.6 65 67 A S T 3 S+ 0 0 126 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.343 116.8 9.5 -56.2 125.2 -5.0 -17.9 -4.1 66 68 A G T 3 S+ 0 0 74 1,-0.3 2,-0.6 -2,-0.1 -1,-0.3 0.453 95.7 127.5 85.0 -2.8 -7.5 -15.2 -3.3 67 69 A R < - 0 0 44 -3,-2.3 2,-0.4 23,-0.1 -3,-0.3 -0.822 40.5-165.1 -93.0 124.5 -5.1 -12.4 -4.1 68 70 A T - 0 0 62 -2,-0.6 22,-1.6 -3,-0.1 2,-0.4 -0.908 5.5-150.1-107.9 133.6 -6.5 -9.8 -6.6 69 71 A W E - C 0 89B 11 -15,-0.4 -15,-2.9 -2,-0.4 2,-0.3 -0.878 14.9-178.2-102.9 132.2 -4.3 -7.3 -8.4 70 72 A R E -BC 53 88B 100 18,-2.7 18,-2.5 -2,-0.4 2,-0.3 -0.840 11.2-145.2-122.0 163.4 -5.5 -3.9 -9.6 71 73 A E E -BC 52 87B 14 -19,-2.4 -20,-3.2 -2,-0.3 -19,-0.5 -0.867 10.8-173.8-124.5 159.7 -3.9 -1.0 -11.4 72 74 A A E -BC 50 86B 0 14,-1.7 14,-2.7 -2,-0.3 -22,-0.3 -0.976 30.7-110.0-148.4 145.3 -4.0 2.8 -11.4 73 75 A D E - C 0 85B 0 -24,-3.4 2,-0.3 -2,-0.3 12,-0.2 -0.492 32.9-157.9 -71.7 142.3 -2.4 5.4 -13.7 74 76 A I + 0 0 0 10,-1.9 10,-0.3 -2,-0.2 -70,-0.2 -0.919 66.8 10.6-119.5 145.4 0.3 7.5 -12.1 75 77 A N S S+ 0 0 71 -72,-3.1 2,-0.4 -2,-0.3 -1,-0.1 0.701 84.6 149.3 67.9 16.4 1.6 10.9 -13.1 76 78 A Y + 0 0 9 -73,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.684 10.1 149.2 -86.0 136.2 -1.3 11.5 -15.5 77 79 A T - 0 0 113 1,-0.4 -31,-0.4 -2,-0.4 2,-0.3 0.605 63.4 -25.4-126.2 -43.3 -2.6 15.0 -16.1 78 80 A S S S+ 0 0 76 2,-0.2 -1,-0.4 -33,-0.1 2,-0.1 -0.988 94.4 33.0-162.6 165.7 -3.9 15.2 -19.7 79 81 A G S S- 0 0 31 -41,-0.4 -39,-0.4 -2,-0.3 -38,-0.2 -0.446 101.9 -3.7 86.7-157.9 -3.7 13.8 -23.2 80 82 A F S S- 0 0 136 -2,-0.1 -2,-0.2 1,-0.1 -44,-0.1 -0.332 89.7 -90.7 -63.9 153.8 -3.0 10.2 -24.0 81 83 A R - 0 0 63 -46,-0.2 -1,-0.1 1,-0.1 2,-0.0 -0.326 42.1-134.8 -61.8 148.6 -2.3 7.9 -21.1 82 84 A N - 0 0 42 2,-0.2 -1,-0.1 -8,-0.2 -6,-0.1 -0.070 23.5-102.4 -90.6-163.9 1.4 7.6 -20.1 83 85 A S S S+ 0 0 37 15,-0.2 17,-1.6 17,-0.0 2,-0.4 0.300 82.4 109.4-107.5 10.7 3.3 4.4 -19.3 84 86 A D + 0 0 28 -10,-0.3 -10,-1.9 14,-0.1 2,-0.4 -0.778 39.7 165.5 -96.1 126.5 3.3 4.7 -15.5 85 87 A R E -CD 73 97B 6 12,-2.6 12,-2.4 -2,-0.4 2,-0.5 -0.995 30.5-143.9-141.7 143.1 1.2 2.4 -13.3 86 88 A I E -CD 72 96B 0 -14,-2.7 -14,-1.7 -2,-0.4 2,-0.5 -0.898 18.6-158.4 -96.7 136.0 0.8 1.4 -9.7 87 89 A L E +CD 71 95B 0 8,-3.2 8,-3.2 -2,-0.5 2,-0.4 -0.976 14.7 179.7-114.0 125.9 -0.1 -2.2 -9.2 88 90 A Y E -CD 70 94B 16 -18,-2.5 -18,-2.7 -2,-0.5 6,-0.2 -0.984 14.7-146.3-132.8 136.9 -1.7 -3.1 -5.8 89 91 A S E > -C 69 0B 1 4,-2.2 3,-2.2 -2,-0.4 -20,-0.2 -0.483 33.1-105.3 -94.6 167.8 -2.9 -6.4 -4.4 90 92 A S T 3 S+ 0 0 60 -22,-1.6 -21,-0.1 1,-0.3 -1,-0.1 0.754 124.4 52.0 -64.9 -20.2 -5.9 -7.1 -2.1 91 93 A D T 3 S- 0 0 67 -23,-0.2 -1,-0.3 2,-0.1 -24,-0.0 0.249 124.1-106.5-101.5 17.9 -3.4 -7.6 0.7 92 94 A W < + 0 0 69 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.750 62.5 154.9 68.3 34.9 -1.7 -4.3 -0.1 93 95 A L - 0 0 40 13,-0.0 -4,-2.2 14,-0.0 2,-0.5 -0.762 31.7-151.8 -71.5 132.1 1.5 -5.2 -1.8 94 96 A I E +D 88 0B 0 -2,-0.4 13,-3.0 -6,-0.2 14,-1.8 -0.964 20.2 171.8-121.1 121.3 2.4 -2.3 -4.0 95 97 A Y E -DE 87 106B 41 -8,-3.2 -8,-3.2 -2,-0.5 2,-0.4 -0.829 15.1-149.4-117.4 159.3 4.4 -2.5 -7.2 96 98 A K E -DE 86 105B 68 9,-3.0 9,-2.0 -2,-0.3 2,-0.4 -0.958 8.2-171.0-127.0 152.1 5.2 0.0 -9.9 97 99 A T E +D 85 0B 1 -12,-2.4 -12,-2.6 -2,-0.4 7,-0.1 -0.998 12.5 177.2-132.4 143.0 5.8 -0.1 -13.6 98 100 A T S S+ 0 0 74 -2,-0.4 -15,-0.2 5,-0.3 -14,-0.1 0.209 76.7 63.5-119.0 13.7 7.1 2.7 -15.9 99 101 A D S > S- 0 0 43 4,-0.4 3,-0.5 -14,-0.1 -15,-0.1 -0.138 120.9 -82.1-134.7 39.0 7.3 0.6 -19.1 100 102 A H T 3 S- 0 0 104 -17,-1.6 -16,-0.1 1,-0.2 -17,-0.0 0.936 89.7 -51.9 60.5 49.3 3.7 -0.5 -19.8 101 103 A Y T 3 S+ 0 0 47 -18,-0.4 -1,-0.2 2,-0.2 3,-0.1 0.670 109.3 117.4 71.0 16.1 3.6 -3.5 -17.5 102 104 A Q S < S+ 0 0 128 -3,-0.5 2,-0.4 1,-0.3 -2,-0.1 0.910 80.9 18.4 -80.6 -45.9 6.8 -5.0 -18.9 103 105 A T - 0 0 77 2,-0.0 -4,-0.4 -43,-0.0 2,-0.4 -0.960 68.0-163.4-129.3 148.6 8.7 -4.8 -15.6 104 106 A F - 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