==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGAND BINDING PROTEIN 25-JUL-05 2AFD . COMPND 2 MOLECULE: PROTEIN ASL1650; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; . AUTHOR M.A.JOHNSON,W.PETI,T.HERRMANN,I.A.WILSON,K.WUTHRICH,JOINT CE . 88 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 67.0 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 . 0 0.0 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 . 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 . 4 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 5.7 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 1 1 0 0 0 1 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A G 0 0 129 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.0 14.7 -15.5 2.1 2 2 A S + 0 0 116 3,-0.0 2,-0.4 0, 0.0 3,-0.1 -0.610 360.0 141.0-156.0 82.8 13.0 -13.8 -0.8 3 3 A H + 0 0 142 1,-0.1 4,-0.1 -2,-0.1 3,-0.0 -0.914 45.8 86.7-126.6 94.0 10.1 -11.4 0.2 4 4 A M + 0 0 119 -2,-0.4 -1,-0.1 2,-0.2 14,-0.0 0.044 70.0 72.6 178.9 41.0 10.3 -8.3 -2.1 5 5 A K S S- 0 0 187 -3,-0.1 13,-0.1 1,-0.0 -3,-0.0 0.009 103.3 -73.6-165.3 48.0 8.3 -9.2 -5.3 6 6 A T - 0 0 81 11,-0.1 -2,-0.2 12,-0.1 2,-0.1 0.574 48.2-178.7 59.3 146.3 4.5 -9.3 -4.7 7 7 A I - 0 0 63 7,-0.1 8,-0.0 -4,-0.1 7,-0.0 -0.014 37.4 -81.9-133.6-122.5 2.6 -12.1 -2.8 8 8 A Q - 0 0 99 -2,-0.1 2,-1.1 3,-0.1 3,-0.3 -0.940 37.5-106.6-155.6 146.5 -1.2 -12.3 -2.2 9 9 A P + 0 0 22 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.701 62.4 133.6 -82.1 97.2 -3.4 -10.5 0.5 10 10 A A S S+ 0 0 64 -2,-1.1 2,-0.3 1,-0.3 3,-0.0 0.544 76.3 17.0-108.9 -15.5 -4.4 -13.2 3.0 11 11 A S S >> S- 0 0 45 -3,-0.3 4,-1.9 1,-0.0 3,-1.3 -0.978 82.1-106.0-150.5 155.4 -3.5 -11.1 6.1 12 12 A V H 3> S+ 0 0 45 -2,-0.3 4,-2.6 1,-0.3 5,-0.1 0.785 120.4 63.4 -55.7 -27.7 -2.9 -7.4 7.0 13 13 A E H 3> S+ 0 0 154 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.866 103.9 46.1 -64.3 -35.5 0.8 -8.5 7.2 14 14 A D H <> S+ 0 0 29 -3,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.939 113.0 48.5 -70.0 -47.5 0.8 -9.4 3.5 15 15 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.890 112.0 50.3 -65.1 -40.0 -1.0 -6.2 2.5 16 16 A Q H X S+ 0 0 48 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.984 111.6 46.6 -55.0 -60.6 1.5 -4.1 4.7 17 17 A S H X S+ 0 0 46 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.779 112.6 51.0 -62.1 -27.8 4.6 -5.8 3.0 18 18 A W H X S+ 0 0 11 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.972 113.2 43.9 -66.8 -55.5 3.1 -5.3 -0.4 19 19 A L H X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.891 115.1 51.2 -56.3 -42.1 2.5 -1.6 0.2 20 20 A I H >X S+ 0 0 25 -4,-3.0 4,-2.8 2,-0.2 3,-0.9 0.937 114.0 40.1 -62.7 -55.2 5.9 -1.3 1.8 21 21 A D H 3X S+ 0 0 24 -4,-2.2 4,-3.1 1,-0.3 5,-0.2 0.911 113.3 55.2 -67.0 -37.4 7.9 -2.9 -1.1 22 22 A Q H 3< S+ 0 0 17 -4,-2.9 4,-0.5 -5,-0.2 -1,-0.3 0.670 110.1 47.6 -67.7 -15.5 5.7 -1.1 -3.7 23 23 A F H XX S+ 0 0 7 -3,-0.9 4,-2.9 -4,-0.7 3,-0.9 0.917 111.4 50.7 -83.8 -52.0 6.7 2.1 -1.9 24 24 A A H 3X>S+ 0 0 2 -4,-2.8 5,-2.3 1,-0.3 4,-1.5 0.872 111.6 47.4 -46.0 -52.7 10.4 1.0 -1.9 25 25 A Q H 3<5S+ 0 0 86 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.716 114.1 46.2 -72.9 -23.6 10.2 0.2 -5.7 26 26 A Q H <45S+ 0 0 68 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.890 119.9 40.5 -77.3 -41.3 8.5 3.6 -6.5 27 27 A L H <5S- 0 0 59 -4,-2.9 -2,-0.2 3,-0.1 -3,-0.2 0.598 107.0-125.2 -79.7 -13.0 11.0 5.5 -4.3 28 28 A D T <5S+ 0 0 150 -4,-1.5 -3,-0.2 -5,-0.3 2,-0.2 0.907 75.0 107.2 56.2 49.8 14.1 3.4 -5.4 29 29 A V S - 0 0 94 -2,-0.2 3,-0.8 1,-0.1 4,-0.2 -0.604 33.1-126.5 -80.0 155.9 14.6 -0.4 0.7 31 31 A P G > S+ 0 0 34 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.875 114.8 59.9 -64.7 -35.1 11.3 -1.6 2.0 32 32 A D G 3 S+ 0 0 144 1,-0.3 -11,-0.0 3,-0.1 -12,-0.0 0.632 93.9 66.1 -69.6 -12.4 12.8 -1.2 5.4 33 33 A D G < S+ 0 0 102 -3,-0.8 2,-0.6 -13,-0.1 -1,-0.3 0.568 82.8 98.1 -78.5 -16.0 13.2 2.5 4.6 34 34 A I < - 0 0 13 -3,-1.7 2,-1.0 -4,-0.2 -14,-0.1 -0.704 65.8-146.9 -87.2 120.7 9.4 3.0 4.5 35 35 A D > - 0 0 87 -2,-0.6 3,-0.9 1,-0.2 41,-0.3 -0.706 8.7-170.1 -79.8 104.7 7.6 4.4 7.5 36 36 A M T 3 S+ 0 0 67 -2,-1.0 41,-2.5 1,-0.2 42,-0.3 0.492 89.6 51.4 -66.2 -2.8 4.2 2.7 7.5 37 37 A E T 3 S+ 0 0 147 39,-0.1 2,-0.2 38,-0.1 -1,-0.2 0.497 90.3 91.9-111.7 -9.7 3.3 5.3 10.3 38 38 A E S < S- 0 0 94 -3,-0.9 38,-0.3 1,-0.1 2,-0.3 -0.612 89.0 -96.5 -92.2 144.7 4.3 8.5 8.4 39 39 A S > - 0 0 47 -2,-0.2 3,-2.0 1,-0.1 36,-0.2 -0.454 24.2-137.1 -72.4 131.6 1.8 10.4 6.3 40 40 A F G > >S+ 0 0 3 34,-2.8 3,-2.2 1,-0.3 5,-0.5 0.702 96.4 74.2 -56.6 -32.2 1.9 9.6 2.6 41 41 A D G 3 5S+ 0 0 118 1,-0.3 -1,-0.3 33,-0.2 -2,-0.1 0.598 99.6 48.8 -61.2 -11.6 1.6 13.2 1.5 42 42 A N G < 5S+ 0 0 124 -3,-2.0 -1,-0.3 0, 0.0 -2,-0.2 0.326 107.5 64.8-110.3 -1.7 5.2 13.6 2.7 43 43 A Y T < 5S- 0 0 54 -3,-2.2 -4,-0.0 -4,-0.2 -9,-0.0 -0.296 118.8 -64.7 -96.4-169.2 6.4 10.5 0.8 44 44 A D T 5S+ 0 0 60 -2,-0.1 5,-0.1 -21,-0.1 -3,-0.1 0.686 103.3 107.9 -51.3 -25.3 6.5 10.0 -3.1 45 45 A L < + 0 0 16 -5,-0.5 3,-0.1 1,-0.1 2,-0.0 -0.115 35.0 150.1 -60.1 160.8 2.6 10.1 -3.1 46 46 A N - 0 0 138 1,-0.2 -1,-0.1 -4,-0.0 -3,-0.0 0.028 65.5 -64.4-155.6 -98.5 1.3 13.4 -4.6 47 47 A S S > S+ 0 0 90 -2,-0.0 3,-1.0 0, 0.0 4,-0.5 0.351 130.6 30.6-134.7 -69.4 -2.1 13.5 -6.4 48 48 A S T >> S+ 0 0 85 1,-0.2 4,-1.0 2,-0.2 3,-0.9 0.848 105.8 77.0 -60.9 -36.6 -1.9 11.2 -9.5 49 49 A K H 3> S+ 0 0 21 1,-0.3 4,-1.4 2,-0.2 3,-0.4 0.784 86.6 61.5 -42.7 -43.1 0.7 8.9 -7.8 50 50 A A H <> S+ 0 0 12 -3,-1.0 4,-3.0 1,-0.2 -1,-0.3 0.915 98.0 54.0 -52.3 -54.9 -2.1 7.3 -5.8 51 51 A L H <> S+ 0 0 97 -3,-0.9 4,-2.9 -4,-0.5 -1,-0.2 0.803 103.5 58.0 -58.1 -34.8 -4.0 5.9 -8.8 52 52 A I H X S+ 0 0 78 -4,-1.0 4,-0.7 -3,-0.4 -1,-0.2 0.973 115.0 34.5 -57.5 -59.7 -0.9 4.1 -10.1 53 53 A L H >X S+ 0 0 12 -4,-1.4 4,-2.8 -3,-0.2 3,-0.9 0.914 117.0 57.0 -65.3 -40.5 -0.4 2.1 -6.9 54 54 A L H 3X S+ 0 0 13 -4,-3.0 4,-2.7 1,-0.2 5,-0.4 0.952 102.2 52.9 -54.0 -56.8 -4.2 1.8 -6.4 55 55 A G H 3< S+ 0 0 39 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.628 115.7 42.3 -63.1 -13.4 -4.9 0.2 -9.8 56 56 A R H S+ 0 0 50 -4,-2.7 5,-2.4 1,-0.2 4,-0.4 0.921 114.5 46.8 -58.2 -45.8 -7.1 -3.4 -6.2 59 59 A K H >45S+ 0 0 129 -5,-0.4 3,-0.9 -4,-0.3 -2,-0.2 0.877 108.1 54.5 -65.4 -40.3 -6.3 -6.0 -8.8 60 60 A W H 3<5S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.874 113.8 44.2 -57.2 -37.0 -3.8 -7.8 -6.5 61 61 A L T 3<5S- 0 0 21 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.436 117.2-117.3 -86.2 -7.4 -6.8 -8.0 -4.1 62 62 A G T < 5S+ 0 0 53 -3,-0.9 -3,-0.2 -4,-0.4 2,-0.1 0.599 83.4 68.6 83.5 13.3 -9.2 -9.1 -6.9 63 63 A K S - 0 0 94 -2,-0.2 3,-1.1 1,-0.1 4,-0.2 -0.981 20.5-127.1-149.9 147.6 -11.4 4.3 -4.3 67 67 A P G >> S+ 0 0 50 0, 0.0 3,-2.0 0, 0.0 4,-1.3 0.781 98.1 80.4 -74.8 -23.0 -9.2 7.4 -3.7 68 68 A V G 34 S+ 0 0 69 1,-0.3 4,-0.3 2,-0.2 5,-0.2 0.767 79.8 69.2 -51.6 -30.0 -10.9 8.1 -0.3 69 69 A L G X> S+ 0 0 16 -3,-1.1 4,-2.7 1,-0.2 3,-0.6 0.831 99.2 47.0 -67.0 -29.4 -8.6 5.5 1.2 70 70 A I T <4 S+ 0 0 13 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.956 114.4 48.4 -63.7 -49.1 -5.6 7.8 0.7 71 71 A F T 3< S+ 0 0 155 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.382 125.1 30.2 -73.8 2.7 -7.7 10.6 2.2 72 72 A N T <4 S+ 0 0 78 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.594 130.9 29.2-132.0 -37.3 -8.7 8.3 5.2 73 73 A Y < + 0 0 44 -4,-2.7 2,-1.1 -5,-0.2 6,-0.2 -0.647 66.3 167.4-130.1 65.4 -5.7 5.8 5.7 74 74 A P + 0 0 33 0, 0.0 -34,-2.8 0, 0.0 2,-0.3 -0.103 59.8 63.9 -83.1 43.1 -2.7 7.9 4.5 75 75 A T S >> S- 0 0 4 -2,-1.1 4,-2.8 -36,-0.2 3,-0.6 -0.969 86.2-119.7-156.7 150.7 -0.2 5.4 6.0 76 76 A I H 3>>S+ 0 0 0 -41,-0.3 4,-2.5 -2,-0.3 5,-0.6 0.939 111.8 58.7 -62.0 -43.6 0.6 1.7 5.3 77 77 A A H 345S+ 0 0 28 -41,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.702 117.5 31.6 -62.7 -23.4 -0.4 0.7 8.9 78 78 A Q H <>5S+ 0 0 92 -3,-0.6 4,-3.0 -42,-0.3 -1,-0.2 0.785 120.7 50.2-101.0 -42.1 -3.9 2.1 8.5 79 79 A L H X5S+ 0 0 6 -4,-2.8 4,-2.6 -6,-0.2 5,-0.2 0.987 114.9 42.7 -62.4 -60.5 -4.4 1.5 4.7 80 80 A A H X5S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.879 115.4 53.0 -51.6 -42.7 -3.3 -2.2 4.9 81 81 A K H 4X S+ 0 0 76 -4,-3.0 4,-2.6 1,-0.2 3,-1.6 0.812 110.4 56.9 -59.1 -33.8 -8.6 -1.2 6.5 83 83 A L H 3X>S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.3 5,-1.2 0.922 99.3 61.0 -62.3 -37.5 -7.9 -3.3 3.4 84 84 A G H 3<5S+ 0 0 18 -4,-2.2 -1,-0.3 -3,-0.3 -2,-0.2 0.404 113.7 36.5 -61.8 -0.8 -7.9 -6.2 5.9 85 85 A E H <45S+ 0 0 103 -3,-1.6 -2,-0.2 3,-0.1 -1,-0.2 0.618 115.9 48.2-118.1 -44.3 -11.5 -5.2 6.6 86 86 A L H <5S+ 0 0 82 -4,-2.6 -2,-0.2 2,-0.1 -3,-0.2 0.697 136.9 9.4 -68.0 -23.1 -12.9 -4.1 3.2 87 87 A Y T <5 0 0 58 -4,-1.8 -3,-0.2 -5,-0.2 -4,-0.1 0.675 360.0 360.0-127.1 -57.7 -11.4 -7.3 1.7 88 88 A L < 0 0 89 -5,-1.2 -4,-0.1 0, 0.0 -3,-0.1 0.368 360.0 360.0 -75.5 360.0 -10.1 -9.8 4.3