==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-SEP-11 2LJW . COMPND 2 MOLECULE: ALR2454 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; . AUTHOR J.M.ARAMINI,D.LEE,C.CICCOSANTI,H.JANJUA,B.ROST,T.B.ACTON,R.X . 104 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 69.2 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 . 17 16.3 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 . 2 1.9 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 . 11 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 0 1 0 0 0 0 0 1 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 . 1 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 25 0, 0.0 2,-0.2 0, 0.0 61,-0.2 0.000 360.0 360.0 360.0 123.0 -9.9 -0.0 0.6 2 2 A T > - 0 0 53 59,-0.1 4,-2.2 65,-0.1 5,-0.1 -0.695 360.0-101.7-107.0 170.7 -10.4 -2.8 -2.0 3 3 A G H > S+ 0 0 0 -2,-0.2 4,-1.9 2,-0.2 5,-0.1 0.782 128.7 54.8 -60.1 -29.1 -7.7 -4.1 -4.4 4 4 A Q H > S+ 0 0 139 2,-0.2 4,-2.3 1,-0.1 5,-0.2 0.966 109.2 43.7 -62.2 -58.5 -9.5 -1.9 -6.9 5 5 A E H > S+ 0 0 65 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.813 112.8 55.6 -58.3 -33.8 -9.2 1.3 -4.7 6 6 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.953 110.7 40.2 -68.5 -52.8 -5.6 0.4 -3.9 7 7 A R H X S+ 0 0 65 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.871 115.7 52.6 -64.2 -38.6 -4.4 0.2 -7.6 8 8 A Q H X S+ 0 0 88 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.810 106.4 54.0 -66.9 -30.6 -6.5 3.3 -8.5 9 9 A L H X S+ 0 0 26 -4,-1.5 4,-0.7 -5,-0.2 -1,-0.2 0.835 113.8 42.0 -69.8 -34.1 -4.8 5.2 -5.6 10 10 A L H X>S+ 0 0 0 -4,-1.4 4,-2.1 3,-0.2 6,-1.0 0.845 118.3 45.4 -78.1 -38.1 -1.4 4.3 -7.1 11 11 A L H X5S+ 0 0 46 -4,-2.4 4,-0.7 4,-0.2 -2,-0.2 0.894 114.2 45.8 -77.4 -44.6 -2.4 5.0 -10.8 12 12 A D H <5S+ 0 0 143 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.2 0.820 122.4 40.0 -65.0 -33.0 -4.3 8.4 -10.1 13 13 A K H <5S+ 0 0 67 -4,-0.7 -2,-0.2 -5,-0.2 -3,-0.2 0.979 136.2 6.2 -81.3 -65.8 -1.3 9.5 -7.9 14 14 A W H <5S- 0 0 9 -4,-2.1 -3,-0.2 2,-0.3 -2,-0.1 0.509 91.9-119.0-105.8 -11.3 2.0 8.4 -9.6 15 15 A G S < S-A 28 0A 51 3,-1.7 3,-2.1 -2,-0.5 -2,-0.1 -0.973 71.0 -10.3-143.7 128.8 9.1 -2.8 13.4 26 26 A Q T 3 S- 0 0 167 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.326 129.1 -56.8 69.1 -3.6 9.0 -2.2 17.2 27 27 A G T 3 S+ 0 0 82 1,-0.5 -1,-0.3 0, 0.0 2,-0.3 0.460 113.8 118.5 103.8 9.5 5.5 -3.7 17.2 28 28 A K E < -A 25 0A 107 -3,-2.1 -3,-1.7 64,-0.0 -1,-0.5 -0.742 58.1-134.8-100.7 154.3 4.1 -1.2 14.7 29 29 A I E -AB 24 91A 21 62,-0.5 62,-1.8 -2,-0.3 2,-0.3 -0.934 22.5-176.9-113.7 133.3 2.7 -2.2 11.2 30 30 A F E -AB 23 90A 40 -7,-2.1 -7,-2.1 -2,-0.4 2,-0.8 -0.976 24.1-140.3-127.6 141.7 3.7 -0.2 8.0 31 31 A L E -AB 22 89A 0 58,-2.1 58,-2.4 -2,-0.3 2,-0.8 -0.891 23.6-159.4-101.4 100.3 2.5 -0.5 4.4 32 32 A Q E -AB 21 88A 47 -11,-2.7 -11,-2.1 -2,-0.8 2,-0.8 -0.748 6.3-148.8 -86.9 107.0 5.7 -0.0 2.3 33 33 A V E -AB 20 87A 0 54,-2.3 54,-1.7 -2,-0.8 -13,-0.2 -0.719 20.5-141.2 -72.8 107.9 4.9 1.0 -1.3 34 34 A M E - 0 0 31 -15,-2.3 -15,-0.2 -2,-0.8 49,-0.1 -0.362 13.2-126.3 -66.6 153.7 7.8 -0.5 -3.4 35 35 A W E S+ 0 0 69 47,-0.2 2,-0.4 -17,-0.1 48,-0.1 0.454 85.4 99.0 -79.8 -4.7 9.3 1.4 -6.3 36 36 A K E - 0 0 120 -17,-0.1 -17,-2.4 46,-0.1 2,-0.3 -0.736 55.2-176.5 -88.9 133.9 8.6 -1.7 -8.5 37 37 A Y E > -A 18 0A 45 -2,-0.4 3,-2.0 -19,-0.3 -19,-0.2 -0.891 40.2-110.1-133.4 157.6 5.5 -1.6 -10.6 38 38 A L T 3 S+ 0 0 42 -21,-2.1 5,-0.2 -2,-0.3 -20,-0.1 0.685 112.9 70.0 -65.1 -19.2 3.7 -4.0 -13.0 39 39 A E T 3 S+ 0 0 94 -22,-0.2 -1,-0.3 3,-0.1 2,-0.3 0.642 81.0 95.3 -73.7 -16.6 4.6 -1.8 -16.1 40 40 A Q S X S- 0 0 95 -3,-2.0 3,-0.8 1,-0.1 -4,-0.0 -0.608 78.0-138.4 -70.0 137.0 8.3 -3.0 -15.4 41 41 A A T 3 S+ 0 0 105 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.849 100.7 53.9 -65.0 -36.6 9.2 -6.0 -17.6 42 42 A S T 3 S+ 0 0 115 2,-0.0 -1,-0.3 -3,-0.0 -3,-0.1 -0.207 74.1 145.2 -97.6 40.7 11.0 -7.8 -14.6 43 43 A F < - 0 0 25 -3,-0.8 -5,-0.0 -2,-0.3 0, 0.0 -0.687 49.4-138.7 -81.6 129.8 8.0 -7.6 -12.2 44 44 A P S S+ 0 0 107 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.517 84.2 59.1 -70.8 -7.0 7.9 -10.9 -9.9 45 45 A M S S- 0 0 35 2,-0.0 -2,-0.1 3,-0.0 2,-0.1 -0.952 80.3-128.2-121.9 144.0 4.1 -11.1 -10.2 46 46 A N > - 0 0 118 -2,-0.4 4,-2.5 1,-0.0 5,-0.2 -0.250 42.0 -89.5 -77.1 175.7 1.9 -11.6 -13.3 47 47 A E H > S+ 0 0 157 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.889 126.8 36.7 -58.9 -47.1 -1.1 -9.2 -14.0 48 48 A T H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.930 116.8 52.0 -71.4 -46.4 -3.8 -11.3 -12.1 49 49 A E H > S+ 0 0 99 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.843 108.6 52.3 -60.4 -39.4 -1.4 -12.4 -9.2 50 50 A Y H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.872 111.2 46.5 -61.4 -42.4 -0.4 -8.7 -8.7 51 51 A Q H X S+ 0 0 51 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.861 111.3 50.3 -72.9 -37.7 -4.1 -7.7 -8.4 52 52 A E H X S+ 0 0 124 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.814 110.0 53.3 -66.5 -32.4 -4.9 -10.7 -6.0 53 53 A H H X S+ 0 0 46 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.905 108.9 48.0 -65.7 -46.7 -1.9 -9.4 -4.0 54 54 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.885 113.2 47.5 -59.8 -42.7 -3.4 -5.9 -3.8 55 55 A D H X S+ 0 0 88 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.761 110.4 52.1 -74.8 -27.2 -6.8 -7.3 -2.7 56 56 A S H X S+ 0 0 60 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.885 112.8 45.2 -72.4 -41.8 -5.1 -9.5 -0.1 57 57 A V H X S+ 0 0 7 -4,-2.2 4,-2.0 1,-0.2 3,-0.4 0.923 112.5 51.5 -61.4 -46.6 -3.3 -6.4 1.3 58 58 A A H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.749 102.0 61.0 -66.2 -28.9 -6.5 -4.4 1.1 59 59 A N H X S+ 0 0 99 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.897 109.0 42.5 -62.0 -44.2 -8.3 -7.2 3.1 60 60 A Y H X S+ 0 0 123 -4,-1.2 4,-2.7 -3,-0.4 6,-0.4 0.854 109.9 56.5 -70.0 -39.3 -5.8 -6.5 6.0 61 61 A L H X S+ 0 0 0 -4,-2.0 6,-2.0 1,-0.2 4,-1.0 0.866 113.3 42.2 -59.7 -36.6 -6.2 -2.7 5.5 62 62 A H H < S+ 0 0 144 -4,-1.8 -2,-0.2 -61,-0.2 -1,-0.2 0.900 115.5 49.2 -72.9 -45.1 -10.0 -3.3 6.0 63 63 A A H < S+ 0 0 68 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.875 120.4 34.6 -64.5 -42.5 -9.6 -5.8 8.9 64 64 A L H < S- 0 0 68 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.684 106.5-120.1 -89.2 -22.3 -7.1 -3.6 10.9 65 65 A G S < S+ 0 0 19 -4,-1.0 3,-0.5 -5,-0.3 4,-0.4 0.542 80.0 121.7 86.9 12.2 -8.7 -0.2 10.0 66 66 A G > + 0 0 0 -5,-0.5 4,-1.4 -6,-0.4 -4,-0.2 0.442 49.3 85.8 -84.2 -1.5 -5.4 0.9 8.4 67 67 A A H > S+ 0 0 8 -6,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.881 87.8 49.9 -66.0 -43.0 -7.1 1.5 5.0 68 68 A V H > S+ 0 0 67 -3,-0.5 4,-1.4 -7,-0.3 -1,-0.2 0.892 107.4 56.3 -60.0 -40.1 -8.2 5.0 5.9 69 69 A Q H > S+ 0 0 26 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.833 109.7 44.8 -63.5 -36.3 -4.5 5.7 7.0 70 70 A V H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 5,-0.4 0.915 113.9 48.9 -70.1 -46.2 -3.3 4.7 3.4 71 71 A K H < S+ 0 0 92 -4,-2.3 4,-0.2 1,-0.2 -2,-0.2 0.653 117.2 43.0 -70.6 -18.6 -6.1 6.7 1.7 72 72 A T H X S+ 0 0 59 -4,-1.4 4,-1.3 -5,-0.2 -1,-0.2 0.825 116.9 45.8 -90.1 -41.1 -5.1 9.7 4.0 73 73 A F H X S+ 0 0 48 -4,-2.0 4,-2.6 -5,-0.2 3,-0.2 0.986 116.0 39.8 -68.3 -62.2 -1.3 9.3 3.6 74 74 A I H < S+ 0 0 0 -4,-2.1 -3,-0.1 1,-0.2 -1,-0.1 0.884 114.7 52.3 -58.5 -46.2 -0.9 8.8 -0.2 75 75 A T H 4 S+ 0 0 82 -5,-0.4 -1,-0.2 -4,-0.2 -2,-0.2 0.882 119.1 34.6 -62.1 -40.5 -3.5 11.4 -1.3 76 76 A Q H < S+ 0 0 151 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.834 103.5 85.0 -83.3 -36.9 -2.0 14.2 0.9 77 77 A T < - 0 0 25 -4,-2.6 -4,-0.0 -5,-0.2 0, 0.0 -0.245 61.7-152.2 -73.0 155.7 1.8 13.3 0.6 78 78 A K + 0 0 198 2,-0.1 -1,-0.1 0, 0.0 -4,-0.1 0.294 56.3 126.8-105.9 4.2 4.1 14.4 -2.3 79 79 A E - 0 0 61 -5,-0.1 8,-0.1 3,-0.0 -2,-0.0 -0.334 42.1-163.1 -62.6 140.4 6.3 11.3 -1.9 80 80 A R - 0 0 150 -2,-0.0 2,-0.4 6,-0.0 -45,-0.1 -0.981 30.5-108.1-119.5 137.9 7.1 9.0 -4.8 81 81 A P + 0 0 10 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.566 49.7 178.0 -66.5 120.3 8.5 5.5 -4.3 82 82 A R B > -C 85 0B 192 3,-2.5 3,-1.5 -2,-0.4 2,-0.7 -0.832 43.4 -74.7-125.1 156.6 12.2 5.7 -5.5 83 83 A L T 3 S+ 0 0 147 -2,-0.3 3,-0.1 1,-0.3 -49,-0.0 -0.399 126.0 5.7 -56.3 99.5 15.1 3.2 -5.6 84 84 A G T 3 S+ 0 0 69 -2,-0.7 2,-0.6 1,-0.0 -1,-0.3 -0.001 118.3 83.2 111.7 -26.9 16.1 3.1 -1.9 85 85 A K B < -C 82 0B 97 -3,-1.5 -3,-2.5 -5,-0.1 2,-0.3 -0.916 59.0-173.8-112.7 103.2 13.2 5.2 -0.6 86 86 A A - 0 0 19 -2,-0.6 2,-1.5 -5,-0.2 -52,-0.2 -0.714 35.0-114.9 -90.4 145.5 9.9 3.2 -0.1 87 87 A V E -B 33 0A 0 -54,-1.7 -54,-2.3 -2,-0.3 2,-1.4 -0.677 36.1-166.7 -79.9 87.7 6.7 5.0 0.9 88 88 A S E -B 32 0A 37 -2,-1.5 -56,-0.3 -56,-0.3 -1,-0.1 -0.670 8.0-153.9 -85.3 87.3 6.5 3.4 4.3 89 89 A I E -B 31 0A 0 -58,-2.4 -58,-2.1 -2,-1.4 2,-0.6 -0.526 12.2-130.6 -67.2 114.3 2.9 4.3 5.3 90 90 A P E -B 30 0A 62 0, 0.0 2,-1.2 0, 0.0 -60,-0.2 -0.594 16.4-153.2 -67.6 113.2 2.4 4.4 9.1 91 91 A L E -B 29 0A 11 -62,-1.8 -62,-0.5 -2,-0.6 2,-0.4 -0.779 11.2-158.8 -91.7 90.8 -0.7 2.3 9.8 92 92 A D + 0 0 70 -2,-1.2 -23,-0.2 1,-0.1 4,-0.1 -0.617 21.3 173.4 -69.7 123.3 -1.9 3.9 13.1 93 93 A L > + 0 0 54 -2,-0.4 4,-1.0 3,-0.1 5,-0.4 -0.024 53.1 102.2-117.6 24.4 -4.2 1.4 15.0 94 94 A G H > S+ 0 0 39 2,-0.2 4,-1.1 3,-0.2 -1,-0.0 0.997 102.5 9.9 -68.0 -67.5 -4.4 3.7 18.0 95 95 A E H > S+ 0 0 134 2,-0.1 4,-0.5 1,-0.1 -1,-0.1 0.780 130.0 62.3 -77.6 -28.8 -7.8 5.2 17.4 96 96 A R H 4 S+ 0 0 60 1,-0.2 4,-0.2 2,-0.2 -2,-0.2 0.795 113.3 29.8 -74.2 -34.9 -8.5 2.7 14.6 97 97 A A H >X S+ 0 0 18 -4,-1.0 3,-1.6 2,-0.1 4,-1.0 0.818 105.2 72.2 -91.1 -37.7 -8.3 -0.5 16.7 98 98 A S H 3X>S+ 0 0 38 -4,-1.1 4,-0.9 -5,-0.4 5,-0.6 0.599 83.9 73.6 -62.5 -10.5 -9.5 0.9 20.1 99 99 A E H 3<5S+ 0 0 137 -4,-0.5 -1,-0.3 2,-0.2 3,-0.3 0.924 102.9 37.8 -62.1 -47.6 -13.1 1.1 18.6 100 100 A W H <45S+ 0 0 184 -3,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.632 107.7 64.0 -86.0 -15.9 -13.5 -2.8 18.8 101 101 A I H <5S- 0 0 89 -4,-1.0 -1,-0.2 2,-0.0 -2,-0.2 0.808 108.8-134.4 -64.8 -31.6 -11.6 -2.9 22.2 102 102 A I T <5 - 0 0 115 -4,-0.9 2,-0.7 -3,-0.3 -3,-0.2 0.968 12.9-145.3 70.1 84.3 -14.7 -0.8 23.3 103 103 A L < 0 0 131 -5,-0.6 -1,-0.1 -4,-0.1 -2,-0.0 -0.756 360.0 360.0 -80.0 112.4 -13.3 2.2 25.4 104 104 A E 0 0 235 -2,-0.7 -1,-0.0 0, 0.0 -2,-0.0 -0.732 360.0 360.0 -88.5 360.0 -15.9 2.9 28.2