==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-09 2KF4 . COMPND 2 MOLECULE: RIBONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR M.P.WILLIAMSON,D.J.WILTON . 108 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 53.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 14.8 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 . 1 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 . 9 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 0 119 0, 0.0 2,-0.3 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 135.6 13.9 16.3 39.3 2 4 A I - 0 0 62 1,-0.0 19,-0.0 6,-0.0 0, 0.0 -0.931 360.0-169.8-177.6 153.8 16.8 14.1 40.1 3 5 A N + 0 0 45 -2,-0.3 72,-3.7 71,-0.0 2,-0.3 0.094 51.8 110.7-144.4 26.1 19.3 13.4 43.0 4 6 A T > - 0 0 48 70,-0.2 4,-2.9 1,-0.1 5,-0.3 -0.750 69.7-121.8-104.7 153.8 21.9 11.0 41.6 5 7 A F H > S+ 0 0 75 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.984 113.8 36.5 -57.0 -63.6 25.6 11.9 40.9 6 8 A D H > S+ 0 0 64 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.925 116.4 56.0 -58.1 -41.8 25.6 11.1 37.2 7 9 A G H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.929 110.7 43.9 -56.6 -45.0 22.0 12.5 36.9 8 10 A V H X S+ 0 0 4 -4,-2.9 4,-3.6 2,-0.2 5,-0.3 0.940 116.0 48.5 -66.6 -43.4 23.2 15.8 38.4 9 11 A A H X>S+ 0 0 1 -4,-2.8 4,-4.8 -5,-0.3 5,-0.5 0.985 113.7 44.9 -60.9 -57.5 26.3 15.8 36.1 10 12 A D H X5S+ 0 0 84 -4,-3.7 4,-2.2 1,-0.2 5,-0.4 0.964 117.5 46.0 -50.2 -55.6 24.3 15.0 32.9 11 13 A Y H X5S+ 0 0 45 -4,-2.5 4,-3.3 -5,-0.3 6,-0.5 0.943 123.4 34.8 -52.4 -52.6 21.7 17.6 33.9 12 14 A L H X5S+ 0 0 26 -4,-3.6 4,-2.6 -5,-0.2 -2,-0.2 0.963 115.0 53.9 -71.4 -52.2 24.4 20.2 34.8 13 15 A Q H <5S+ 0 0 28 -4,-4.8 -1,-0.2 -5,-0.3 -3,-0.2 0.849 122.0 34.7 -52.9 -28.9 27.0 19.2 32.1 14 16 A T H < - 0 0 3 0, 0.0 2,-4.0 0, 0.0 3,-1.4 0.129 52.8 -90.2 -41.3 156.1 18.6 19.8 38.7 20 22 A D T 3 S+ 0 0 73 1,-0.3 3,-0.1 -3,-0.1 -2,-0.0 -0.089 125.2 49.7 -67.4 49.7 15.2 21.4 39.3 21 23 A N T 3 S+ 0 0 5 -2,-4.0 27,-2.4 1,-0.1 2,-0.6 0.203 77.0 108.7-173.0 26.6 15.6 20.5 43.0 22 24 A Y E < +a 48 0A 20 -3,-1.4 2,-0.4 -4,-0.2 27,-0.2 -0.886 33.6 168.8-120.1 109.1 19.0 21.7 44.2 23 25 A I E -a 49 0A 40 25,-2.9 27,-2.0 -2,-0.6 28,-0.1 -0.933 29.3-125.9-119.0 134.1 19.1 24.7 46.6 24 26 A T > - 0 0 13 -2,-0.4 4,-2.3 25,-0.3 5,-0.2 -0.124 28.6-103.4 -71.8 172.6 22.3 25.7 48.4 25 27 A K H > S+ 0 0 54 1,-0.2 4,-4.3 2,-0.2 5,-0.2 0.951 116.5 74.8 -60.7 -39.3 22.7 26.2 52.1 26 28 A S H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.882 110.2 24.3 -32.2 -74.3 22.6 30.0 51.2 27 29 A E H > S+ 0 0 82 2,-0.2 4,-3.6 1,-0.2 5,-0.4 0.990 117.2 62.7 -66.0 -57.5 18.9 29.9 50.7 28 30 A A H X>S+ 0 0 3 -4,-2.3 4,-0.9 2,-0.2 5,-0.6 0.884 108.9 46.5 -30.2 -55.0 18.2 26.8 53.0 29 31 A Q H >X5S+ 0 0 113 -4,-4.3 3,-2.1 1,-0.2 4,-1.4 0.978 117.9 37.3 -56.1 -66.7 19.6 29.1 55.9 30 32 A A H 3<5S+ 0 0 97 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.845 109.5 65.4 -54.7 -32.2 17.6 32.4 55.1 31 33 A L H 3<5S- 0 0 89 -4,-3.6 -1,-0.3 -5,-0.3 -2,-0.2 0.824 134.2 -89.3 -63.0 -22.4 14.7 30.0 54.2 32 34 A G H <<5 + 0 0 39 -3,-2.1 2,-0.3 -4,-0.9 -3,-0.2 0.699 60.9 176.0 116.4 51.3 14.7 29.1 57.9 33 35 A W << - 0 0 62 -4,-1.4 2,-0.4 -5,-0.6 -1,-0.1 -0.644 7.4-170.1 -84.7 139.0 17.2 26.1 58.3 34 36 A V >> - 0 0 62 -2,-0.3 4,-3.9 1,-0.1 3,-0.6 -0.989 24.3-146.7-134.8 130.0 17.8 25.0 62.0 35 37 A A T 34 S+ 0 0 103 -2,-0.4 2,-2.9 1,-0.3 -1,-0.1 0.946 98.3 63.9 -58.2 -50.4 20.4 22.5 63.3 36 38 A S T 34 S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.0 0, 0.0 -0.049 124.3 16.2 -70.4 45.4 18.1 21.2 66.0 37 39 A K T <4 S- 0 0 132 -2,-2.9 -2,-0.2 -3,-0.6 -1,-0.2 0.080 82.1-146.0-177.1 -49.2 15.8 19.9 63.3 38 40 A G < - 0 0 6 -4,-3.9 -3,-0.1 1,-0.1 -5,-0.1 0.998 30.2-165.5 62.5 60.0 17.6 19.8 59.9 39 41 A N + 0 0 6 -5,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.358 33.9 126.8 -76.7 161.2 14.5 20.7 57.9 40 42 A L > + 0 0 3 -2,-0.1 4,-2.6 -7,-0.0 -1,-0.1 -0.007 66.4 51.2-173.7 -68.5 14.2 20.2 54.1 41 43 A A T 4 S+ 0 0 20 38,-0.3 -2,-0.1 2,-0.2 39,-0.1 0.757 112.8 55.4 -62.2 -20.4 11.3 18.2 52.6 42 44 A D T 4 S+ 0 0 90 2,-0.2 -1,-0.2 37,-0.2 -3,-0.0 0.978 121.9 22.7 -76.0 -61.9 9.1 20.4 54.7 43 45 A V T 4 S+ 0 0 64 1,-0.3 -2,-0.2 -11,-0.1 -1,-0.1 0.639 142.9 30.0 -80.1 -12.7 10.2 23.9 53.5 44 46 A A S >< S- 0 0 7 -4,-2.6 3,-1.4 3,-0.1 -1,-0.3 -0.503 81.8-159.2-146.1 71.8 11.5 22.2 50.3 45 47 A P T 3 S+ 0 0 94 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.313 82.1 1.9 -56.3 116.8 9.4 19.1 49.4 46 48 A G T 3 S+ 0 0 42 31,-0.5 2,-0.3 1,-0.3 32,-0.1 0.891 110.0 117.5 73.9 36.7 11.4 16.9 47.0 47 49 A K < - 0 0 53 -3,-1.4 2,-0.3 30,-0.3 -1,-0.3 -0.870 46.1-154.3-133.7 163.2 14.5 19.2 47.1 48 50 A S E -a 22 0A 3 -27,-2.4 -25,-2.9 -2,-0.3 2,-0.5 -0.932 27.2 -96.0-138.2 163.5 18.1 18.9 48.3 49 51 A I E +a 23 0A 0 -2,-0.3 24,-4.1 -27,-0.2 -25,-0.3 -0.665 67.8 110.4 -80.8 123.2 21.0 21.0 49.6 50 52 A G B +B 72 0B 0 -27,-2.0 22,-0.3 -2,-0.5 -2,-0.1 -0.905 28.0 79.9 176.9 155.6 23.5 22.0 46.8 51 53 A G + 0 0 13 20,-2.4 -27,-0.1 -2,-0.3 21,-0.1 0.256 66.4 112.3 117.4 -11.0 24.8 25.0 44.8 52 54 A D S S- 0 0 16 19,-0.5 2,-0.4 -29,-0.1 -1,-0.1 0.271 70.4 -96.9 -72.6-151.4 27.1 26.6 47.3 53 55 A I - 0 0 95 17,-0.2 2,-0.8 -3,-0.0 17,-0.3 -0.983 17.2-144.3-132.6 144.0 30.9 26.7 46.9 54 56 A F - 0 0 27 15,-4.4 2,-4.0 -2,-0.4 15,-0.1 -0.793 5.3-160.0-112.7 90.8 33.5 24.3 48.3 55 57 A S - 0 0 60 -2,-0.8 3,-0.1 1,-0.2 -1,-0.1 0.078 46.4-110.6 -59.7 38.3 36.6 26.4 49.2 56 58 A N > + 0 0 48 -2,-4.0 2,-2.1 1,-0.2 3,-2.0 0.810 58.1 167.1 34.8 37.8 38.5 23.1 49.0 57 59 A R T 3 + 0 0 206 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.042 69.6 55.0 -70.2 38.1 38.9 23.5 52.9 58 60 A E T 3 S- 0 0 77 -2,-2.1 -1,-0.3 -3,-0.1 -2,-0.1 0.374 100.7-125.9-145.5 -6.8 40.1 19.8 52.8 59 61 A G S < S+ 0 0 65 -3,-2.0 -2,-0.1 1,-0.1 -3,-0.1 0.893 81.3 113.3 56.7 36.5 43.0 19.7 50.3 60 62 A K + 0 0 64 -4,-0.1 -1,-0.1 2,-0.1 -3,-0.1 0.189 60.1 66.6-121.4 13.7 41.0 16.9 48.6 61 63 A L S S- 0 0 11 -5,-0.2 2,-0.2 34,-0.0 -3,-0.1 -0.995 90.3 -99.1-138.0 143.2 40.2 18.7 45.3 62 64 A P - 0 0 44 0, 0.0 2,-0.1 0, 0.0 31,-0.1 -0.392 43.9-166.2 -61.6 123.9 42.5 20.0 42.4 63 65 A G + 0 0 55 -2,-0.2 2,-0.3 -4,-0.0 5,-0.1 -0.390 10.5 176.9-103.0-177.2 43.2 23.7 42.8 64 66 A K - 0 0 140 -2,-0.1 2,-3.2 3,-0.1 3,-0.3 -0.916 48.5 -91.4-179.0 153.9 44.6 26.3 40.3 65 67 A S S S+ 0 0 127 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.227 119.8 25.1 -73.5 56.8 45.4 30.0 40.1 66 68 A G S S+ 0 0 41 -2,-3.2 2,-0.3 1,-0.1 -1,-0.2 0.220 96.7 84.9 147.4 80.4 41.9 30.6 38.6 67 69 A R - 0 0 56 -3,-0.3 2,-0.3 2,-0.0 -3,-0.1 -0.977 48.4-140.1-176.1 177.4 39.0 28.1 39.3 68 70 A T - 0 0 67 -2,-0.3 22,-3.0 -5,-0.1 2,-0.4 -0.996 4.9-144.2-155.3 155.8 36.3 27.3 41.8 69 71 A W E - C 0 89B 8 -2,-0.3 -15,-4.4 20,-0.2 2,-0.3 -0.967 14.1-172.7-125.0 140.6 34.7 24.2 43.5 70 72 A R E - C 0 88B 96 18,-2.3 18,-2.4 -2,-0.4 2,-0.2 -0.958 8.7-149.0-131.9 150.5 31.0 23.7 44.4 71 73 A E E - C 0 87B 1 -2,-0.3 -20,-2.4 16,-0.2 -19,-0.5 -0.703 11.1-176.6-115.6 168.7 29.2 20.9 46.4 72 74 A A E -BC 50 86B 0 14,-1.3 14,-2.8 -22,-0.3 -22,-0.3 -0.938 30.9-103.9-164.5 139.5 25.7 19.3 46.3 73 75 A D E - C 0 85B 0 -24,-4.1 2,-0.3 -2,-0.3 12,-0.2 -0.222 35.7-155.6 -61.3 153.4 23.8 16.7 48.3 74 76 A I + 0 0 0 10,-1.9 10,-0.3 1,-0.2 -70,-0.2 -0.983 60.8 12.1-135.8 146.6 23.3 13.2 46.6 75 77 A N S S+ 0 0 83 -72,-3.7 2,-0.3 -2,-0.3 -1,-0.2 0.989 82.3 150.0 55.4 71.5 20.7 10.5 47.1 76 78 A Y + 0 0 15 -3,-0.1 -1,-0.2 -73,-0.1 5,-0.1 -0.935 20.6 159.4-131.9 156.6 18.1 12.4 49.2 77 79 A T - 0 0 108 -2,-0.3 -31,-0.5 3,-0.3 -30,-0.3 0.422 68.9 -21.7-136.9 -73.2 14.3 12.1 49.6 78 80 A S S S+ 0 0 81 -32,-0.1 2,-0.2 -33,-0.1 -30,-0.1 -0.784 110.0 38.1-153.1 104.8 12.7 13.6 52.7 79 81 A G S S- 0 0 40 -2,-0.3 -38,-0.3 -41,-0.0 2,-0.2 -0.685 97.5 -38.0 160.1-100.4 14.6 14.1 56.0 80 82 A F - 0 0 101 1,-0.3 -3,-0.3 -2,-0.2 -2,-0.1 -0.740 67.1 -70.9-143.3-170.0 18.2 15.4 56.2 81 83 A R - 0 0 50 -2,-0.2 -1,-0.3 1,-0.1 2,-0.2 0.227 43.3-167.3 -71.7-156.5 21.6 15.0 54.4 82 84 A N - 0 0 61 2,-0.2 -1,-0.1 -6,-0.0 -7,-0.1 -0.780 44.0 -72.2-166.2-150.1 23.7 11.8 54.5 83 85 A S S S+ 0 0 51 -2,-0.2 17,-1.9 15,-0.1 2,-0.7 0.563 99.1 96.8-102.9 -8.9 27.3 10.7 53.6 84 86 A D + 0 0 24 -10,-0.3 -10,-1.9 -9,-0.2 2,-0.3 -0.682 49.3 155.3 -85.7 113.3 26.6 10.8 49.8 85 87 A R E -CD 73 97B 0 12,-1.2 12,-3.0 -2,-0.7 2,-0.4 -0.983 30.5-144.4-138.1 149.7 27.8 14.2 48.3 86 88 A I E -CD 72 96B 2 -14,-2.8 -14,-1.3 -2,-0.3 2,-0.5 -0.917 8.0-158.8-116.6 138.8 28.9 15.3 44.8 87 89 A L E -CD 71 95B 0 8,-4.4 8,-4.3 -2,-0.4 2,-0.5 -0.956 7.3-170.9-117.8 126.2 31.7 17.9 44.1 88 90 A Y E -CD 70 94B 15 -18,-2.4 -18,-2.3 -2,-0.5 6,-0.2 -0.960 11.3-146.8-119.8 129.3 31.8 19.7 40.7 89 91 A S E > -C 69 0B 11 4,-3.0 3,-1.8 -2,-0.5 -20,-0.2 -0.569 23.4-121.9 -93.1 158.3 34.7 21.9 39.7 90 92 A S T 3 S+ 0 0 65 -22,-3.0 -21,-0.1 1,-0.3 -1,-0.1 0.729 114.1 65.0 -69.1 -17.1 34.7 25.0 37.6 91 93 A D T 3 S- 0 0 49 -23,-0.3 -1,-0.3 2,-0.1 -22,-0.1 0.358 126.2-101.9 -86.7 9.0 37.1 23.2 35.3 92 94 A W S < S+ 0 0 133 -3,-1.8 2,-0.4 1,-0.3 -2,-0.2 0.769 74.8 147.5 78.3 26.8 34.2 20.7 34.5 93 95 A L - 0 0 40 -4,-0.1 -4,-3.0 -31,-0.1 2,-0.5 -0.764 36.4-150.4 -96.2 137.6 35.7 18.0 36.9 94 96 A I E +D 88 0B 4 -2,-0.4 13,-2.0 -6,-0.2 14,-1.3 -0.919 17.6 176.7-112.0 121.2 33.2 15.7 38.7 95 97 A Y E -DE 87 106B 44 -8,-4.3 -8,-4.4 -2,-0.5 2,-0.4 -0.942 6.6-167.3-122.9 144.7 34.1 14.3 42.2 96 98 A K E -DE 86 105B 17 9,-3.1 9,-3.4 -2,-0.4 2,-0.3 -0.984 3.7-171.0-133.8 145.1 31.9 12.1 44.4 97 99 A T E -D 85 0B 1 -12,-3.0 -12,-1.2 -2,-0.4 7,-0.2 -0.826 12.9-176.3-125.2 167.3 32.2 11.1 48.1 98 100 A T S S+ 0 0 76 5,-0.4 -15,-0.1 -2,-0.3 -14,-0.1 0.407 80.3 59.8-140.6 -9.0 30.2 8.5 50.2 99 101 A D S S- 0 0 36 4,-0.4 3,-0.2 -14,-0.1 -15,-0.2 0.261 123.8 -85.6-107.2 13.7 31.6 8.9 53.7 100 102 A A S S- 0 0 40 -17,-1.9 -16,-0.1 1,-0.2 2,-0.1 0.952 87.9 -43.2 84.0 62.8 30.7 12.6 54.1 101 103 A Y S S+ 0 0 35 -18,-0.5 -1,-0.2 2,-0.2 -18,-0.0 0.199 114.6 113.1 70.9 -22.0 33.7 14.4 52.5 102 104 A Q S S+ 0 0 136 -3,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.946 86.3 8.9 -44.6 -74.2 36.0 12.0 54.3 103 105 A T S S- 0 0 77 2,-0.0 -4,-0.4 0, 0.0 2,-0.4 -0.654 76.3-151.2-105.1 164.2 37.3 10.2 51.2 104 106 A F - 0 0 37 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.997 7.9-167.7-138.3 139.0 36.7 11.3 47.6 105 107 A T E -E 96 0B 92 -9,-3.4 -9,-3.1 -2,-0.4 2,-0.2 -0.976 21.5-129.2-125.3 137.2 36.4 9.3 44.4 106 108 A K E +E 95 0B 102 -2,-0.4 -11,-0.2 -11,-0.2 -13,-0.0 -0.594 26.5 172.1 -83.5 146.2 36.4 10.9 40.9 107 109 A I 0 0 59 -13,-2.0 -12,-0.2 -2,-0.2 -1,-0.1 0.651 360.0 360.0-122.3 -34.0 33.7 9.8 38.4 108 110 A R 0 0 80 -14,-1.3 -13,-0.1 -99,-0.0 -2,-0.1 0.512 360.0 360.0-143.4 360.0 34.2 12.2 35.4