==== 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 2AFE . 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) . 5582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 65.9 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 . 15 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 36.4 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 0 1 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 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.9 -15.9 -11.7 -2.6 2 2 A S + 0 0 136 1,-0.2 2,-0.1 0, 0.0 0, 0.0 0.848 360.0 174.7 45.1 38.1 -16.2 -10.5 1.0 3 3 A H + 0 0 91 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.446 20.9 129.3 -68.2 150.5 -12.5 -9.6 0.8 4 4 A M + 0 0 133 1,-0.3 2,-0.2 -2,-0.1 18,-0.0 -0.098 41.5 84.4 154.1 95.3 -11.0 -7.8 3.8 5 5 A K S S- 0 0 170 13,-0.1 -1,-0.3 -2,-0.1 16,-0.1 -0.438 71.5-101.8 159.5 141.3 -7.8 -9.3 5.3 6 6 A T - 0 0 73 -2,-0.2 2,-0.1 1,-0.1 -2,-0.1 -0.111 31.8-172.9 -66.4 167.4 -4.1 -9.1 4.6 7 7 A I - 0 0 66 7,-0.1 -1,-0.1 8,-0.0 8,-0.0 0.012 34.9 -82.6-132.5-125.0 -2.2 -11.9 2.7 8 8 A Q - 0 0 118 -2,-0.1 2,-1.0 3,-0.1 3,-0.1 -0.902 40.7-100.6-160.8 134.1 1.6 -12.2 2.2 9 9 A P + 0 0 28 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.338 60.7 144.7 -67.4 93.3 3.8 -10.5 -0.4 10 10 A A S S- 0 0 73 -2,-1.0 2,-0.3 1,-0.5 3,-0.0 0.468 74.6 -10.8-110.8 -10.9 4.2 -13.4 -2.9 11 11 A S S >> S- 0 0 59 -3,-0.1 4,-1.7 1,-0.0 3,-1.4 -0.891 82.7 -88.5-168.4 170.0 4.2 -11.2 -6.1 12 12 A V H 3> S+ 0 0 42 1,-0.3 4,-2.7 -2,-0.3 5,-0.1 0.811 124.3 67.1 -54.4 -31.2 3.4 -7.6 -6.9 13 13 A E H 3> S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.858 103.8 43.7 -53.2 -41.0 -0.2 -8.8 -7.3 14 14 A D H <> S+ 0 0 22 -3,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.956 111.6 50.4 -74.3 -49.7 -0.3 -9.6 -3.6 15 15 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.877 111.4 52.8 -57.2 -40.1 1.3 -6.3 -2.5 16 16 A Q H X S+ 0 0 35 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.982 110.9 43.5 -55.3 -63.8 -1.3 -4.5 -4.8 17 17 A S H X S+ 0 0 47 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.824 114.5 52.0 -59.6 -29.6 -4.3 -6.2 -3.2 18 18 A W H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.954 113.3 42.5 -66.4 -53.6 -2.8 -5.6 0.3 19 19 A L H X S+ 0 0 3 -4,-2.6 4,-0.8 -5,-0.2 -2,-0.2 0.930 117.0 49.9 -55.9 -47.3 -2.3 -1.9 -0.3 20 20 A I H >X S+ 0 0 23 -4,-3.1 4,-2.8 2,-0.2 3,-0.6 0.908 113.9 41.6 -61.5 -52.2 -5.7 -1.7 -2.0 21 21 A D H 3X S+ 0 0 3 -4,-2.7 4,-3.2 1,-0.3 5,-0.3 0.936 112.4 54.3 -68.4 -42.4 -7.7 -3.5 0.8 22 22 A Q H 3< S+ 0 0 9 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.700 111.0 48.1 -61.6 -17.0 -5.8 -1.6 3.5 23 23 A F H XX S+ 0 0 2 -4,-0.8 4,-2.3 -3,-0.6 3,-1.5 0.922 111.2 49.6 -83.0 -50.7 -6.9 1.5 1.6 24 24 A A H 3X>S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.3 5,-1.6 0.909 111.8 48.1 -47.7 -53.8 -10.5 0.2 1.5 25 25 A Q H 3<5S+ 0 0 72 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.510 113.1 48.2 -74.2 -12.3 -10.5 -0.5 5.2 26 26 A Q H <45S+ 0 0 58 -3,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.802 119.9 37.8 -81.1 -39.8 -9.0 2.9 6.0 27 27 A L H <5S- 0 0 52 -4,-2.3 -2,-0.2 -3,-0.1 -3,-0.2 0.552 105.5-120.9 -96.5 -11.2 -11.6 4.7 3.8 28 28 A D T <5S+ 0 0 158 -4,-2.0 -3,-0.2 1,-0.2 -4,-0.1 0.590 76.2 111.5 78.5 21.4 -14.7 2.5 4.6 29 29 A V S - 0 0 116 1,-0.1 3,-1.2 -3,-0.1 4,-0.2 -0.691 37.2-125.7 -78.8 152.8 -14.6 -1.4 -1.5 31 31 A P G > S+ 0 0 25 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.903 112.2 60.2 -62.2 -38.4 -11.1 -2.3 -2.5 32 32 A D G 3 S+ 0 0 163 1,-0.3 -11,-0.0 3,-0.1 -12,-0.0 0.570 93.5 66.2 -70.7 -8.9 -12.1 -2.1 -6.1 33 33 A D G < S+ 0 0 104 -3,-1.2 2,-0.5 -13,-0.1 -1,-0.3 0.465 79.8 105.9 -87.1 -5.2 -13.0 1.6 -5.5 34 34 A I < - 0 0 13 -3,-2.0 2,-1.4 -4,-0.2 -14,-0.1 -0.665 69.5-137.5 -80.4 125.7 -9.3 2.5 -4.8 35 35 A D > - 0 0 91 -2,-0.5 3,-1.0 1,-0.2 41,-0.3 -0.623 18.5-175.6 -79.2 91.5 -7.4 4.4 -7.6 36 36 A M T 3 S+ 0 0 69 -2,-1.4 41,-2.7 1,-0.2 42,-0.3 0.483 86.3 49.6 -59.5 -4.1 -4.1 2.6 -7.6 37 37 A E T 3 S+ 0 0 141 38,-0.2 -1,-0.2 39,-0.2 2,-0.2 0.527 92.5 87.6-116.3 -14.6 -3.0 5.3 -10.1 38 38 A E S < S- 0 0 82 -3,-1.0 38,-0.3 1,-0.1 2,-0.2 -0.598 90.9 -96.7 -84.9 147.9 -4.1 8.4 -8.2 39 39 A S >> - 0 0 31 -2,-0.2 3,-1.9 1,-0.1 4,-0.6 -0.432 21.5-134.5 -69.6 137.1 -1.7 10.0 -5.8 40 40 A F T 34>S+ 0 0 7 34,-2.6 5,-0.8 1,-0.3 3,-0.5 0.712 100.2 74.6 -59.6 -24.2 -2.2 9.0 -2.2 41 41 A D T 345S+ 0 0 104 1,-0.2 -1,-0.3 33,-0.2 -2,-0.1 0.667 95.9 50.9 -68.3 -15.1 -1.8 12.7 -1.1 42 42 A N T <45S+ 0 0 118 -3,-1.9 -1,-0.2 3,-0.0 -2,-0.2 0.717 105.2 67.0 -92.9 -23.5 -5.3 13.2 -2.5 43 43 A Y T <5S- 0 0 47 -4,-0.6 3,-0.1 -3,-0.5 -4,-0.0 -0.182 116.2 -74.6 -79.8-178.0 -6.8 10.2 -0.5 44 44 A D T 5S+ 0 0 70 1,-0.2 2,-1.1 -21,-0.1 3,-0.2 0.452 104.0 103.7 -60.6 -1.6 -7.1 10.1 3.3 45 45 A L < + 0 0 10 -5,-0.8 5,-0.5 1,-0.2 -1,-0.2 0.045 49.9 170.2 -73.1 32.1 -3.2 9.6 3.6 46 46 A N - 0 0 133 -2,-1.1 -1,-0.2 3,-0.1 -2,-0.0 0.528 60.4 -71.9 -24.8 -63.8 -3.0 13.3 4.6 47 47 A S S > S+ 0 0 82 -3,-0.2 3,-1.7 0, 0.0 4,-0.3 0.010 128.0 44.2-153.5 -61.2 0.6 13.1 5.7 48 48 A S T >> S+ 0 0 87 1,-0.3 3,-1.3 2,-0.2 4,-0.8 0.772 96.9 79.6 -67.8 -21.3 1.3 11.2 9.0 49 49 A K H >> S+ 0 0 46 1,-0.3 4,-1.7 2,-0.2 3,-0.5 0.820 79.9 69.4 -43.6 -41.1 -1.1 8.5 7.8 50 50 A A H <> S+ 0 0 9 -3,-1.7 4,-2.6 -5,-0.5 -1,-0.3 0.897 95.7 52.8 -51.5 -43.5 1.8 7.3 5.7 51 51 A L H <> S+ 0 0 108 -3,-1.3 4,-2.8 -4,-0.3 -1,-0.2 0.820 104.9 53.5 -67.6 -37.7 3.7 6.1 8.8 52 52 A I H << S+ 0 0 81 -4,-0.8 4,-0.5 -3,-0.5 -1,-0.2 0.974 117.6 36.3 -54.6 -59.3 0.8 4.0 10.3 53 53 A L H X S+ 0 0 9 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.766 114.9 55.5 -77.6 -25.0 0.4 2.0 7.1 54 54 A L H X S+ 0 0 12 -4,-2.6 4,-2.7 -5,-0.3 5,-0.4 0.984 105.8 52.7 -58.9 -57.9 4.2 2.0 6.5 55 55 A G H < S+ 0 0 35 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.559 114.5 43.9 -61.8 -9.5 4.7 0.5 10.0 56 56 A R H > S+ 0 0 115 -4,-0.5 4,-2.7 -3,-0.1 -1,-0.2 0.848 115.1 47.7 -83.2 -59.6 2.1 -2.1 8.8 57 57 A L H X S+ 0 0 3 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.870 112.8 45.1 -50.4 -55.3 3.7 -2.6 5.3 58 58 A E H X>S+ 0 0 47 -4,-2.7 5,-2.4 1,-0.2 4,-1.2 0.944 117.4 46.2 -58.9 -47.2 7.4 -3.0 6.4 59 59 A K H 45S+ 0 0 125 -5,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.844 109.3 54.3 -61.5 -39.2 6.3 -5.4 9.2 60 60 A W H <5S+ 0 0 45 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.889 113.8 42.9 -60.0 -41.0 4.0 -7.3 6.8 61 61 A L H <5S- 0 0 25 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.636 116.6-118.9 -80.6 -19.2 7.1 -7.8 4.5 62 62 A G T <5S+ 0 0 58 -4,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.524 82.2 68.1 96.0 10.5 9.3 -8.6 7.6 63 63 A K S - 0 0 93 -2,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.977 18.3-125.8-147.2 144.6 12.0 4.6 4.0 67 67 A P G >> S+ 0 0 65 0, 0.0 3,-1.5 0, 0.0 4,-1.4 0.796 103.6 75.5 -68.7 -25.0 9.8 7.8 3.8 68 68 A V G 34 S+ 0 0 68 1,-0.3 5,-0.2 2,-0.2 0, 0.0 0.772 83.6 66.2 -51.9 -31.4 11.2 8.5 0.3 69 69 A L G X> S+ 0 0 19 -3,-1.7 4,-2.3 1,-0.2 3,-0.7 0.807 99.2 50.2 -72.9 -25.2 8.9 5.7 -1.0 70 70 A I T <4 S+ 0 0 24 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.974 115.3 44.8 -57.4 -53.5 5.9 7.9 -0.1 71 71 A F T 3< S+ 0 0 157 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.159 125.2 31.9 -81.1 12.4 7.7 10.6 -2.0 72 72 A N T <4 S+ 0 0 77 -3,-0.7 -1,-0.2 -5,-0.1 -3,-0.2 0.446 129.5 28.4-142.9 -32.1 8.7 8.3 -5.0 73 73 A Y < + 0 0 49 -4,-2.3 2,-0.6 -5,-0.2 6,-0.2 -0.525 64.1 158.6-134.0 66.1 5.9 5.7 -5.3 74 74 A P + 0 0 32 0, 0.0 -34,-2.6 0, 0.0 2,-0.3 -0.089 59.8 65.0 -84.3 42.7 2.7 7.5 -4.0 75 75 A T S >> S- 0 0 5 -2,-0.6 4,-3.0 -36,-0.2 3,-0.9 -0.969 85.9-119.3-153.2 155.9 0.3 5.1 -5.8 76 76 A I H 3>>S+ 0 0 0 -2,-0.3 4,-2.1 -38,-0.3 5,-0.8 0.961 112.9 59.3 -64.6 -45.1 -0.4 1.4 -5.6 77 77 A A H 345S+ 0 0 26 -41,-2.7 -1,-0.2 1,-0.2 -40,-0.1 0.476 119.4 29.4 -66.2 -4.2 0.7 0.8 -9.2 78 78 A Q H <>5S+ 0 0 77 -3,-0.9 4,-3.1 -42,-0.3 5,-0.3 0.646 123.0 46.8-116.5 -48.4 4.2 2.2 -8.3 79 79 A L H X5S+ 0 0 7 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.975 115.9 43.2 -64.0 -58.4 4.5 1.3 -4.6 80 80 A A H X5S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.925 117.5 49.6 -52.3 -48.3 3.4 -2.4 -4.9 81 81 A K H 4X S+ 0 0 77 -4,-3.1 4,-2.7 1,-0.3 3,-1.6 0.844 110.8 56.2 -62.6 -32.5 8.7 -1.2 -6.6 83 83 A L H 3X>S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.3 5,-1.1 0.929 100.6 59.6 -62.7 -39.1 8.1 -3.3 -3.4 84 84 A G H 3<5S+ 0 0 11 -4,-2.3 -1,-0.3 -3,-0.3 -2,-0.2 0.383 113.7 37.9 -66.5 3.4 8.1 -6.3 -5.7 85 85 A E H <45S+ 0 0 126 -3,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.595 116.3 46.9-120.0 -40.0 11.7 -5.3 -6.7 86 86 A L H <5S+ 0 0 88 -4,-2.7 -2,-0.2 2,-0.1 -3,-0.2 0.804 138.7 9.1 -66.9 -31.3 13.2 -4.1 -3.4 87 87 A Y T <5 0 0 63 -4,-2.3 -3,-0.2 -5,-0.3 -4,-0.1 0.777 360.0 360.0-116.5 -64.9 11.8 -7.2 -1.7 88 88 A L < 0 0 92 -5,-1.1 -4,-0.1 0, 0.0 -76,-0.1 0.085 360.0 360.0 -81.1 360.0 10.4 -9.7 -4.2