==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGAND BINDING PROTEIN 04-FEB-04 1S99 . COMPND 2 MOLECULE: YKOF; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR Y.DEVEDJIEV,Y.SURENDRANATH,U.DEREWENDA,Z.S.DEREWENDA . 366 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15506.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 27.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 0 0 0 0 0 0 2 0 0 1 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 2 4 2 0 2 0 4 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 . 0 0 0 0 0 0 2 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 9 A R 0 0 154 0, 0.0 2,-0.2 0, 0.0 82,-0.1 0.000 360.0 360.0 360.0 63.0 -9.5 45.4 -3.7 2 10 A I - 0 0 26 80,-0.2 75,-0.6 44,-0.1 2,-0.3 -0.563 360.0-143.8 -83.7 134.2 -5.8 45.0 -3.6 3 11 A A E -AB 45 76A 2 42,-2.7 42,-2.2 -2,-0.2 2,-0.3 -0.698 19.1-168.7 -91.5 150.7 -4.1 43.2 -0.6 4 12 A G E -AB 44 75A 1 71,-2.7 71,-2.2 -2,-0.3 2,-0.3 -0.953 17.9-161.7-138.5 161.6 -0.8 44.3 0.9 5 13 A F E -AB 43 74A 0 38,-2.4 38,-2.2 -2,-0.3 2,-0.6 -0.901 3.8-170.1-142.7 112.7 2.0 43.2 3.3 6 14 A R E +AB 42 73A 23 67,-2.3 67,-2.3 -2,-0.3 2,-0.3 -0.923 30.0 157.9 -98.3 120.9 4.5 45.6 4.8 7 15 A F E -AB 41 72A 5 34,-2.9 34,-2.8 -2,-0.6 2,-0.3 -0.954 34.9-147.4-147.2 159.0 7.1 43.5 6.5 8 16 A S E - B 0 71A 7 63,-2.4 63,-2.4 -2,-0.3 2,-0.5 -0.950 12.5-146.4-123.4 149.3 10.7 43.5 7.8 9 17 A L E - B 0 70A 15 -2,-0.3 61,-0.2 61,-0.2 11,-0.1 -0.975 13.6-163.2-117.1 125.8 13.1 40.5 7.9 10 18 A Y E - B 0 69A 8 59,-2.8 59,-1.5 -2,-0.5 2,-0.6 -0.911 3.3-168.0-119.9 99.1 15.4 40.5 10.9 11 19 A P E - B 0 68A 1 0, 0.0 2,-1.9 0, 0.0 57,-0.2 -0.834 15.6-147.7 -89.3 118.4 18.5 38.2 10.7 12 20 A X + 0 0 7 55,-2.5 55,-0.4 -2,-0.6 2,-0.3 -0.566 67.6 89.3 -85.8 71.9 20.2 37.9 14.1 13 21 A T S > S- 0 0 4 -2,-1.9 3,-1.3 53,-0.1 6,-0.1 -0.973 87.1-115.3-165.9 146.6 23.6 37.5 12.5 14 22 A D T 3 S+ 0 0 103 -2,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.823 115.7 62.8 -54.3 -31.4 26.6 39.5 11.2 15 23 A D T 3> + 0 0 84 1,-0.2 4,-2.0 2,-0.1 3,-0.3 0.082 67.2 125.2 -84.6 23.3 25.6 38.2 7.8 16 24 A F H <> + 0 0 27 -3,-1.3 4,-2.1 1,-0.2 5,-0.2 0.821 64.2 56.6 -58.9 -36.6 22.2 39.9 7.8 17 25 A I H > S+ 0 0 111 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.953 111.4 43.7 -59.1 -47.9 22.6 41.9 4.5 18 26 A S H > S+ 0 0 60 -3,-0.3 4,-2.8 1,-0.2 5,-0.2 0.890 110.6 55.1 -66.6 -40.1 23.2 38.7 2.6 19 27 A V H X S+ 0 0 10 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.913 111.7 43.2 -61.0 -44.6 20.4 36.7 4.3 20 28 A I H X S+ 0 0 50 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.951 114.2 50.4 -67.8 -46.4 17.8 39.4 3.4 21 29 A K H X S+ 0 0 159 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.917 112.7 47.4 -57.6 -45.3 19.0 39.7 -0.2 22 30 A S H X S+ 0 0 71 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.892 108.9 52.1 -64.5 -41.8 19.0 36.0 -0.7 23 31 A A H X S+ 0 0 2 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.901 113.6 43.9 -66.8 -40.0 15.5 35.4 0.8 24 32 A L H < S+ 0 0 42 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.912 116.7 46.5 -67.9 -42.7 14.0 38.1 -1.5 25 33 A A H < S+ 0 0 82 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.836 108.0 55.5 -69.1 -34.7 15.9 36.9 -4.6 26 34 A A H < S+ 0 0 50 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.796 94.8 85.0 -71.1 -27.7 15.1 33.2 -4.0 27 35 A T S < S- 0 0 7 -4,-1.0 2,-1.1 -3,-0.3 26,-0.1 -0.428 88.3-117.4 -76.7 143.8 11.4 33.9 -4.0 28 36 A D + 0 0 62 1,-0.1 3,-0.3 -2,-0.1 66,-0.1 -0.774 40.7 170.9 -76.7 103.2 9.3 34.1 -7.2 29 37 A T > + 0 0 56 -2,-1.1 3,-1.1 1,-0.2 -1,-0.1 0.114 40.6 111.0-102.1 19.4 8.3 37.7 -6.9 30 38 A S T 3 S+ 0 0 65 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.675 75.9 48.4 -72.2 -19.7 6.8 37.9 -10.4 31 39 A K T 3 S+ 0 0 90 -3,-0.3 15,-0.4 18,-0.1 2,-0.4 0.317 102.8 68.4-106.7 7.3 3.1 38.2 -9.2 32 40 A V S < S- 0 0 3 -3,-1.1 2,-0.4 13,-0.1 13,-0.2 -0.973 74.5-129.6-124.4 142.9 3.5 41.0 -6.5 33 41 A W E -C 44 0A 41 11,-2.7 11,-2.1 -2,-0.4 2,-0.3 -0.730 37.5-167.1 -80.8 135.1 4.4 44.6 -6.8 34 42 A T E +C 43 0A 59 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.951 23.2 179.2-129.7 151.9 7.2 45.4 -4.4 35 43 A K E -C 42 0A 125 7,-1.5 7,-2.4 -2,-0.3 2,-0.4 -0.941 12.9-163.9-148.9 126.3 9.0 48.4 -2.9 36 44 A T E +C 41 0A 89 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.935 11.1 171.3-116.5 136.0 11.8 48.2 -0.4 37 45 A D - 0 0 45 3,-3.0 -2,-0.0 -2,-0.4 0, 0.0 -0.626 53.8 -83.9-128.2-173.5 13.2 50.9 1.9 38 46 A H S S+ 0 0 106 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.653 126.3 35.5 -76.3 -9.3 15.7 50.8 4.7 39 47 A I S S- 0 0 17 1,-0.3 2,-0.3 329,-0.0 -1,-0.2 0.813 124.4 -13.3-104.0 -45.9 13.1 49.8 7.3 40 48 A S - 0 0 5 -32,-0.1 -3,-3.0 323,-0.0 2,-0.4 -0.894 51.0-122.1-151.3 172.7 10.7 47.5 5.4 41 49 A T E -AC 7 36A 12 -34,-2.8 -34,-2.9 -2,-0.3 2,-0.4 -0.956 20.6-151.3-119.7 143.7 9.4 46.0 2.1 42 50 A V E -AC 6 35A 0 -7,-2.4 -7,-1.5 -2,-0.4 2,-0.4 -0.968 6.2-165.6-116.8 134.8 5.8 46.2 0.9 43 51 A L E -AC 5 34A 2 -38,-2.2 -38,-2.4 -2,-0.4 2,-0.4 -0.951 8.2-172.5-110.6 140.1 4.2 43.6 -1.4 44 52 A R E +AC 4 33A 0 -11,-2.1 -11,-2.7 -2,-0.4 2,-0.3 -0.995 31.9 83.3-136.6 141.7 0.9 44.3 -3.2 45 53 A G E S-A 3 0A 6 -42,-2.2 -42,-2.7 -2,-0.4 -13,-0.1 -0.980 77.2 -18.0 167.7-155.8 -1.3 42.0 -5.2 46 54 A S > - 0 0 51 -15,-0.4 4,-3.0 -2,-0.3 5,-0.3 -0.361 63.3-110.9 -71.1 155.3 -4.1 39.5 -4.8 47 55 A I H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.936 120.6 50.7 -48.0 -46.8 -4.6 37.8 -1.4 48 56 A D H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 112.9 42.9 -60.1 -47.5 -3.3 34.6 -2.9 49 57 A H H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.864 113.4 51.6 -72.9 -38.0 -0.2 36.1 -4.4 50 58 A V H X S+ 0 0 1 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.937 115.0 41.3 -64.2 -46.1 0.7 38.2 -1.3 51 59 A F H X S+ 0 0 4 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.858 113.2 54.1 -68.9 -35.8 0.4 35.2 1.1 52 60 A D H X S+ 0 0 7 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.944 113.3 44.0 -61.6 -45.9 2.2 32.9 -1.4 53 61 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.915 111.6 51.5 -64.8 -46.2 5.0 35.4 -1.6 54 62 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.918 110.7 48.8 -56.9 -48.2 5.2 36.0 2.2 55 63 A K H X S+ 0 0 37 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.918 111.8 49.1 -61.1 -43.4 5.4 32.3 3.0 56 64 A A H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.918 109.5 50.9 -63.4 -44.5 8.1 31.7 0.5 57 65 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.911 112.6 47.5 -58.0 -44.9 10.2 34.6 1.7 58 66 A Y H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.945 112.4 49.1 -61.5 -52.2 9.9 33.2 5.3 59 67 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.902 113.0 46.6 -55.4 -47.9 10.8 29.6 4.2 60 68 A H H < S+ 0 0 42 -4,-3.1 4,-0.3 1,-0.2 -1,-0.2 0.933 114.1 47.5 -62.6 -43.3 13.9 30.8 2.2 61 69 A A H >< S+ 0 0 1 -4,-2.4 3,-1.2 -5,-0.3 5,-0.5 0.917 112.1 49.7 -61.8 -43.2 15.1 33.0 5.1 62 70 A A H >< S+ 0 0 2 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.835 102.7 61.7 -66.4 -32.0 14.6 30.2 7.7 63 71 A N T 3< S+ 0 0 59 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.484 82.2 79.0 -82.5 2.5 16.5 27.7 5.5 64 72 A S T < S- 0 0 46 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.558 102.9-132.4 -68.1 -14.1 19.5 29.9 5.9 65 73 A E < + 0 0 130 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.428 68.1 120.4 67.3 2.7 19.7 28.2 9.3 66 74 A Q S S- 0 0 63 -5,-0.5 2,-0.6 1,-0.1 -1,-0.3 -0.534 79.9 -95.2 -86.5 159.8 20.2 31.6 11.0 67 75 A H + 0 0 26 -55,-0.4 -55,-2.5 -2,-0.2 2,-0.3 -0.691 59.9 167.6 -73.4 119.5 17.9 32.9 13.6 68 76 A I E -BD 11 179A 1 111,-1.5 111,-2.8 -2,-0.6 2,-0.4 -0.971 22.6-158.9-135.4 147.3 15.5 35.2 11.6 69 77 A V E -BD 10 178A 5 -59,-1.5 -59,-2.8 -2,-0.3 2,-0.5 -0.990 6.0-154.5-126.6 141.4 12.2 36.8 12.3 70 78 A X E +BD 9 177A 0 107,-2.3 107,-2.9 -2,-0.4 2,-0.4 -0.979 19.0 176.1-110.1 124.3 9.5 38.1 9.9 71 79 A N E +BD 8 176A 12 -63,-2.4 -63,-2.4 -2,-0.5 2,-0.3 -0.993 19.2 126.8-129.7 127.3 7.4 40.9 11.4 72 80 A G E -BD 7 175A 3 103,-2.2 103,-2.4 -2,-0.4 2,-0.4 -0.958 48.0-110.3-167.8 177.7 4.7 42.7 9.3 73 81 A T E -BD 6 174A 18 -67,-2.3 -67,-2.3 -2,-0.3 2,-0.3 -0.997 18.4-152.7-128.9 119.5 1.2 43.9 8.7 74 82 A F E -BD 5 173A 1 99,-2.7 99,-2.0 -2,-0.4 2,-0.3 -0.713 23.3-177.6 -81.8 143.5 -1.3 42.5 6.1 75 83 A S E +BD 4 172A 2 -71,-2.2 -71,-2.7 -2,-0.3 2,-0.3 -1.000 15.1 169.2-146.2 141.0 -3.8 45.0 4.9 76 84 A I E +BD 3 171A 1 95,-2.1 95,-1.9 -2,-0.3 -73,-0.2 -0.981 62.3 18.4-147.6 147.9 -6.8 45.1 2.6 77 85 A G + 0 0 19 -75,-0.6 3,-0.1 -2,-0.3 -74,-0.1 0.536 62.5 171.2 81.1 11.3 -9.5 47.7 2.0 78 86 A C > - 0 0 34 93,-0.2 3,-2.2 1,-0.1 -1,-0.2 -0.307 49.1 -94.8 -60.6 134.0 -8.1 50.9 3.4 79 87 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 91,-0.0 -0.261 108.4 8.8 -45.7 122.2 -10.4 53.8 2.4 80 88 A G T 3 S+ 0 0 84 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.484 85.0 171.1 84.4 2.7 -9.1 55.5 -0.8 81 89 A D < - 0 0 45 -3,-2.2 -1,-0.2 1,-0.1 -79,-0.0 -0.118 38.7-104.2 -42.4 136.1 -6.5 52.8 -1.5 82 90 A T - 0 0 74 1,-0.1 -80,-0.2 3,-0.0 -1,-0.1 -0.312 10.1-142.8 -66.4 149.7 -4.8 53.3 -5.0 83 91 A Q S S+ 0 0 183 -3,-0.1 -1,-0.1 -82,-0.1 3,-0.1 0.566 85.1 74.6 -82.3 -11.6 -5.8 51.1 -7.9 84 92 A G + 0 0 37 1,-0.2 3,-0.1 3,-0.0 -2,-0.0 -0.047 60.7 65.6 -87.8-168.3 -2.1 51.3 -8.9 85 93 A D S S+ 0 0 64 1,-0.2 2,-0.3 -51,-0.0 -52,-0.2 0.908 89.5 88.3 52.2 47.4 1.0 49.8 -7.4 86 94 A T S S- 0 0 36 -3,-0.1 2,-0.4 -54,-0.1 -1,-0.2 -0.906 76.6-112.0-146.7 176.4 -0.0 46.2 -8.4 87 95 A Y 0 0 128 -56,-0.3 -41,-0.2 -2,-0.3 -54,-0.1 -0.980 360.0 360.0-115.3 138.9 0.2 43.8 -11.2 88 96 A L 0 0 235 -2,-0.4 -1,-0.2 -43,-0.1 -57,-0.0 0.986 360.0 360.0 -65.6 360.0 -3.0 42.9 -13.1 89 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 90 100 A D 0 0 180 0, 0.0 2,-0.1 0, 0.0 -59,-0.0 0.000 360.0 360.0 360.0 -37.5 -4.0 33.0 -10.3 91 101 A K - 0 0 163 1,-0.1 2,-1.4 2,-0.0 3,-0.1 -0.364 360.0-115.2 -71.7 146.3 -1.5 30.2 -9.5 92 102 A R > - 0 0 72 1,-0.2 3,-1.1 -2,-0.1 4,-0.5 -0.747 34.0-162.0 -76.8 96.1 0.5 30.3 -6.3 93 103 A V T 3 S+ 0 0 32 -2,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.678 81.5 42.9 -64.5 -21.0 3.7 30.6 -8.1 94 104 A N T 3> S+ 0 0 3 1,-0.1 4,-2.1 2,-0.1 -1,-0.2 0.623 87.6 93.5 -93.6 -14.1 6.0 29.6 -5.2 95 105 A E T <4 S+ 0 0 118 -3,-1.1 4,-0.3 1,-0.2 -2,-0.1 0.860 90.7 39.6 -51.5 -45.1 3.9 26.6 -4.0 96 106 A D T >4 S+ 0 0 106 -4,-0.5 3,-1.3 1,-0.2 4,-0.3 0.940 113.3 53.4 -77.8 -44.3 5.7 24.0 -5.9 97 107 A A T 34 S+ 0 0 71 -4,-0.4 3,-0.2 1,-0.3 -1,-0.2 0.771 118.9 35.5 -59.7 -32.4 9.2 25.4 -5.5 98 108 A V T >< S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.1 -1,-0.3 0.335 84.2 107.0-103.7 9.4 8.9 25.5 -1.7 99 109 A R T < S+ 0 0 175 -3,-1.3 -1,-0.1 -4,-0.3 -2,-0.1 0.782 85.7 43.7 -62.1 -28.1 6.7 22.3 -1.3 100 110 A G T 3 S+ 0 0 68 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.460 94.9 98.0 -93.5 -6.6 9.7 20.5 0.1 101 111 A L < - 0 0 44 -3,-1.6 2,-0.3 2,-0.0 50,-0.1 -0.584 50.9-173.6 -84.1 147.7 10.9 23.3 2.5 102 112 A K + 0 0 142 -2,-0.2 2,-0.2 -43,-0.1 -2,-0.0 -0.932 9.2 167.6-135.0 156.6 10.0 23.3 6.1 103 113 A A - 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