==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 24-JUL-09 2KM7 . COMPND 2 MOLECULE: SMALL PROTEIN A; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.J.KNOWLES,P.SRIDHAR,S.RAJESH,E.MANOLI,I.R.HENDERSON,M.OVER . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 51.0 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 . 14 13.7 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 1.0 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-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 . 19 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 8.8 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 1 0 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 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 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 . 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 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 20 A S 0 0 172 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 94.2 -17.1 -36.7 48.7 2 21 A S - 0 0 101 1,-0.1 2,-0.9 2,-0.0 0, 0.0 -0.593 360.0-128.4 -83.5 137.5 -17.9 -34.0 46.1 3 22 A T - 0 0 120 -2,-0.3 2,-1.2 2,-0.1 -1,-0.1 -0.779 19.9-157.6 -85.2 106.0 -15.5 -33.1 43.4 4 23 A L + 0 0 150 -2,-0.9 2,-0.7 2,-0.0 -1,-0.0 -0.712 19.2 173.2 -89.5 93.0 -15.1 -29.3 43.6 5 24 A E + 0 0 167 -2,-1.2 2,-0.3 2,-0.0 -2,-0.1 -0.872 12.3 150.9-108.5 104.0 -13.8 -28.4 40.1 6 25 A R + 0 0 239 -2,-0.7 2,-0.3 2,-0.0 -2,-0.0 -0.746 18.0 178.8-133.1 85.4 -13.6 -24.7 39.5 7 26 A V - 0 0 142 -2,-0.3 2,-0.6 1,-0.0 -2,-0.0 -0.616 21.2-135.2 -89.5 146.5 -10.9 -23.9 37.0 8 27 A V - 0 0 106 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.902 13.9-163.7-107.3 121.0 -10.2 -20.3 35.8 9 28 A Y - 0 0 161 -2,-0.6 0, 0.0 2,-0.0 0, 0.0 -0.842 23.2-123.3 -99.0 139.3 -9.6 -19.5 32.2 10 29 A R > - 0 0 175 -2,-0.4 2,-1.4 1,-0.1 3,-0.6 -0.744 11.0-159.1 -89.9 113.0 -8.1 -16.2 31.3 11 30 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.211 82.1 81.0 -77.5 45.4 -10.1 -14.0 28.9 12 31 A D T 3 + 0 0 148 -2,-1.4 2,-0.4 2,-0.0 -2,-0.0 0.001 68.0 108.8-137.0 23.7 -6.9 -12.2 28.1 13 32 A I < - 0 0 100 -3,-0.6 2,-0.6 2,-0.0 0, 0.0 -0.856 52.0-155.8-116.0 140.4 -5.5 -14.7 25.6 14 33 A N + 0 0 80 -2,-0.4 2,-0.8 3,-0.0 6,-0.1 -0.884 17.5 173.1-114.9 96.8 -5.1 -14.4 21.8 15 34 A Q - 0 0 174 -2,-0.6 2,-0.3 2,-0.0 -2,-0.0 -0.571 59.3 -38.7-106.9 67.5 -5.0 -17.9 20.3 16 35 A G S S+ 0 0 41 -2,-0.8 2,-2.0 2,-0.4 0, 0.0 -0.802 91.8 91.6 122.5-160.6 -5.0 -17.3 16.6 17 36 A N S S+ 0 0 149 -2,-0.3 2,-0.3 -3,-0.0 -3,-0.0 -0.471 100.9 9.6 68.0 -79.1 -6.7 -15.0 14.1 18 37 A Y S S- 0 0 103 -2,-2.0 -2,-0.4 38,-0.0 2,-0.3 -0.778 82.6 -99.9-126.4 167.5 -4.0 -12.3 14.0 19 38 A L - 0 0 41 38,-0.9 40,-0.4 -2,-0.3 2,-0.2 -0.702 39.7-115.3 -89.0 140.1 -0.5 -11.9 15.4 20 39 A T > - 0 0 65 -2,-0.3 4,-1.8 -6,-0.1 5,-0.2 -0.491 14.5-131.5 -73.7 145.0 0.0 -9.9 18.5 21 40 A A H > S+ 0 0 39 1,-0.2 4,-1.2 38,-0.2 -1,-0.1 0.906 110.1 50.0 -63.3 -42.3 2.0 -6.6 18.3 22 41 A N H 4 S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.795 106.9 57.4 -65.7 -27.8 4.2 -7.5 21.2 23 42 A D H >4 S+ 0 0 43 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.897 105.2 47.8 -72.2 -41.3 4.8 -10.9 19.6 24 43 A V H >< S+ 0 0 12 -4,-1.8 3,-0.8 1,-0.3 -1,-0.2 0.765 103.7 64.6 -68.2 -23.7 6.2 -9.4 16.4 25 44 A S T 3< S+ 0 0 87 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.512 82.5 80.2 -77.0 -5.9 8.3 -7.2 18.7 26 45 A K T < S+ 0 0 101 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.2 0.859 87.4 62.7 -68.1 -35.4 10.1 -10.3 19.9 27 46 A I < - 0 0 17 -3,-0.8 2,-0.3 -4,-0.3 9,-0.0 -0.104 66.9-167.3 -84.9-177.4 12.3 -10.5 16.8 28 47 A R > - 0 0 168 -2,-0.0 3,-1.1 0, 0.0 54,-0.2 -0.946 33.0 -68.0-158.0 175.7 15.0 -8.0 15.6 29 48 A V T 3 S+ 0 0 79 -2,-0.3 54,-0.2 1,-0.2 3,-0.1 -0.489 117.1 26.8 -73.1 143.6 17.2 -7.0 12.6 30 49 A G T 3 S+ 0 0 34 52,-2.7 2,-0.2 1,-0.3 -1,-0.2 0.281 88.3 134.5 84.1 -11.1 19.9 -9.4 11.8 31 50 A M < - 0 0 38 -3,-1.1 51,-1.9 51,-0.2 -1,-0.3 -0.538 57.9-119.1 -69.8 133.7 17.8 -12.2 13.3 32 51 A T B > -A 81 0A 38 -2,-0.2 4,-3.0 49,-0.2 3,-0.4 -0.353 19.7-107.8 -77.4 156.7 17.9 -15.2 10.9 33 52 A Q H > S+ 0 0 59 47,-1.2 4,-3.2 1,-0.2 5,-0.3 0.862 118.7 57.1 -45.9 -44.6 14.8 -16.7 9.3 34 53 A Q H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 113.0 37.5 -57.9 -47.6 15.1 -19.7 11.6 35 54 A Q H > S+ 0 0 96 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.873 116.6 52.1 -75.9 -37.6 14.8 -17.6 14.8 36 55 A V H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 6,-0.4 0.942 114.7 42.8 -60.9 -46.9 12.3 -15.2 13.3 37 56 A A H X S+ 0 0 16 -4,-3.2 4,-1.7 -5,-0.3 5,-0.4 0.853 112.4 55.0 -67.7 -35.2 10.1 -18.1 12.3 38 57 A Y H < S+ 0 0 189 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.913 116.9 35.3 -63.2 -43.5 10.7 -19.7 15.6 39 58 A A H < S+ 0 0 28 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.923 125.6 37.6 -78.3 -46.5 9.6 -16.7 17.5 40 59 A L H < S- 0 0 7 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.655 104.8-120.0 -84.0 -16.4 6.8 -15.4 15.2 41 60 A G < + 0 0 58 -4,-1.7 -3,-0.2 -5,-0.3 -4,-0.2 0.680 54.3 165.7 83.4 17.8 5.5 -18.9 14.3 42 61 A T - 0 0 15 -5,-0.4 -1,-0.2 -6,-0.4 3,-0.1 -0.388 36.3-116.9 -68.9 141.0 6.3 -18.2 10.6 43 62 A P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.373 45.6 -78.3 -71.1 158.8 6.3 -21.1 8.1 44 63 A L - 0 0 160 -2,-0.1 2,-0.4 2,-0.0 -10,-0.0 -0.331 53.3-174.3 -60.7 135.1 9.5 -22.0 6.3 45 64 A M + 0 0 65 -3,-0.1 -8,-0.1 2,-0.0 -12,-0.1 -0.993 24.0 154.4-139.1 128.6 10.3 -19.6 3.4 46 65 A S - 0 0 100 -2,-0.4 6,-0.1 5,-0.0 -2,-0.0 -0.476 23.3-167.8-149.8 71.3 13.0 -19.8 0.8 47 66 A D > - 0 0 38 4,-0.3 3,-0.8 1,-0.2 -2,-0.0 -0.483 12.3-161.9 -73.2 121.4 11.8 -18.0 -2.3 48 67 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.485 85.0 70.3 -78.4 -2.9 14.1 -18.6 -5.4 49 68 A F T 3 S- 0 0 179 2,-0.1 3,-0.1 0, 0.0 -2,-0.1 0.695 115.8-106.2 -90.0 -20.0 12.6 -15.6 -7.1 50 69 A G S < S+ 0 0 54 -3,-0.8 2,-1.4 1,-0.2 28,-0.1 0.433 78.3 133.3 107.8 4.7 14.3 -13.1 -4.8 51 70 A T + 0 0 75 1,-0.1 2,-0.5 2,-0.0 -4,-0.3 -0.665 18.9 162.4 -89.0 85.3 11.2 -12.2 -2.9 52 71 A N + 0 0 31 -2,-1.4 24,-1.8 -3,-0.1 2,-0.5 -0.335 29.3 126.7-101.3 49.6 12.5 -12.5 0.7 53 72 A T E -B 75 0A 36 -2,-0.5 2,-0.5 22,-0.2 22,-0.2 -0.932 44.7-156.7-113.0 128.1 9.7 -10.5 2.2 54 73 A W E -B 74 0A 21 20,-1.9 20,-3.0 -2,-0.5 2,-0.5 -0.888 11.8-149.3-103.6 132.5 7.6 -11.7 5.1 55 74 A F E +B 73 0A 142 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.887 24.0 160.6-108.5 125.6 4.1 -10.2 5.5 56 75 A Y E -B 72 0A 40 16,-2.7 16,-1.3 -2,-0.5 2,-0.4 -0.973 15.4-166.5-137.7 154.6 2.4 -9.7 8.9 57 76 A V + 0 0 45 -2,-0.3 -38,-0.9 14,-0.1 2,-0.3 -0.977 9.5 171.1-145.6 128.7 -0.4 -7.6 10.1 58 77 A F - 0 0 17 -2,-0.4 2,-0.4 12,-0.3 12,-0.3 -0.795 38.5 -91.6-127.2 173.5 -1.6 -6.8 13.6 59 78 A R + 0 0 165 -40,-0.4 -38,-0.2 -2,-0.3 10,-0.1 -0.741 62.2 125.4 -94.1 131.2 -4.1 -4.3 15.2 60 79 A Q S S+ 0 0 58 -2,-0.4 -1,-0.2 -39,-0.0 9,-0.1 0.350 81.2 38.5-150.6 -30.7 -2.9 -0.9 16.3 61 80 A Q + 0 0 38 7,-0.2 7,-0.2 1,-0.1 3,-0.2 -0.767 67.9 169.6-125.7 83.3 -5.3 1.4 14.4 62 81 A P - 0 0 110 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.880 62.2 -19.6 -66.7 -42.4 -8.7 -0.5 14.6 63 82 A G S S+ 0 0 51 4,-0.1 4,-0.0 2,-0.0 0, 0.0 -0.892 75.8 109.2-172.2 138.4 -10.9 2.3 13.3 64 83 A H S S+ 0 0 185 -2,-0.3 -1,-0.0 -3,-0.2 -3,-0.0 0.094 102.6 14.6-175.2 -41.1 -11.2 6.0 12.8 65 84 A E S S- 0 0 53 3,-0.1 2,-0.8 32,-0.0 -2,-0.0 0.313 93.2-124.4-128.1 -2.3 -11.0 6.7 9.0 66 85 A G S S+ 0 0 73 2,-0.1 2,-0.6 1,-0.0 0, 0.0 -0.108 101.3 65.8 82.0 -38.3 -11.6 3.1 7.8 67 86 A V + 0 0 79 -2,-0.8 31,-0.4 23,-0.0 2,-0.2 -0.816 69.3 116.4-116.5 87.6 -8.4 3.2 5.9 68 87 A T + 0 0 19 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.747 32.0 120.6-159.6 98.3 -5.7 3.4 8.5 69 88 A Q - 0 0 66 -2,-0.2 2,-0.5 27,-0.1 -10,-0.1 -0.991 48.3-125.8-161.0 155.0 -3.1 0.6 9.0 70 89 A Q - 0 0 19 -2,-0.3 2,-0.7 -12,-0.3 -12,-0.3 -0.935 22.8-135.7-111.5 131.5 0.6 -0.1 8.9 71 90 A T - 0 0 64 -2,-0.5 2,-0.9 17,-0.3 17,-0.2 -0.770 12.3-148.3 -89.2 114.2 2.0 -2.9 6.8 72 91 A L E +B 56 0A 7 -16,-1.3 -16,-2.7 -2,-0.7 2,-0.5 -0.711 26.1 173.4 -84.5 105.4 4.5 -5.0 8.7 73 92 A T E -BC 55 86A 17 13,-2.0 13,-3.7 -2,-0.9 2,-0.4 -0.962 17.3-156.1-120.0 124.1 7.0 -6.2 6.0 74 93 A L E -BC 54 85A 1 -20,-3.0 -20,-1.9 -2,-0.5 2,-0.5 -0.816 5.0-166.3 -99.7 139.3 10.1 -8.1 6.8 75 94 A T E +BC 53 84A 47 9,-2.1 9,-2.4 -2,-0.4 8,-2.1 -0.940 9.5 176.4-130.1 108.1 13.1 -8.0 4.5 76 95 A F E - C 0 82A 9 -24,-1.8 6,-0.3 -2,-0.5 2,-0.1 -0.936 26.5-125.8-115.3 133.2 15.9 -10.6 5.0 77 96 A N E >> - C 0 81A 58 4,-2.6 3,-3.6 -2,-0.4 4,-0.7 -0.341 41.3 -89.5 -73.9 162.3 18.9 -10.9 2.8 78 97 A S T 34 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.627 124.0 67.0 -51.3 -22.4 19.8 -14.3 1.2 79 98 A S T 34 S- 0 0 85 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.617 121.3-106.3 -73.2 -10.2 22.0 -15.3 4.2 80 99 A G T <4 S+ 0 0 1 -3,-3.6 -47,-1.2 1,-0.3 2,-0.6 0.518 76.7 138.0 98.8 10.1 18.8 -15.3 6.2 81 100 A V E < -AC 32 77A 48 -4,-0.7 -4,-2.6 -49,-0.2 2,-0.6 -0.791 60.4-122.2 -98.9 119.5 19.5 -12.1 8.0 82 101 A L E + C 0 76A 0 -51,-1.9 -52,-2.7 -2,-0.6 -6,-0.3 -0.450 37.2 173.6 -55.1 105.5 16.7 -9.6 8.5 83 102 A T E + 0 0 78 -8,-2.1 2,-0.3 -2,-0.6 -7,-0.2 0.802 61.5 11.2 -91.4 -31.9 18.3 -6.6 6.8 84 103 A N E - C 0 75A 93 -9,-2.4 -9,-2.1 -3,-0.1 2,-0.5 -0.994 60.1-152.2-150.3 138.0 15.4 -4.2 6.9 85 104 A I E - C 0 74A 56 -2,-0.3 2,-0.9 -11,-0.2 -11,-0.2 -0.946 11.6-146.3-110.8 133.1 12.0 -4.0 8.7 86 105 A D E + C 0 73A 45 -13,-3.7 -13,-2.0 -2,-0.5 2,-0.3 -0.844 42.0 141.0 -96.0 100.0 9.1 -2.1 7.2 87 106 A N + 0 0 81 -2,-0.9 -15,-0.1 -15,-0.2 -2,-0.1 -0.823 9.6 142.3-144.5 101.9 7.1 -0.7 10.1 88 107 A K - 0 0 76 -2,-0.3 -17,-0.3 -17,-0.2 5,-0.1 -0.990 45.8-112.9-142.5 133.7 5.6 2.7 10.0 89 108 A P > - 0 0 69 0, 0.0 5,-1.1 0, 0.0 6,-1.0 -0.109 26.2-112.7 -65.1 158.6 2.2 3.9 11.4 90 109 A A T 5S+ 0 0 1 1,-0.2 2,-0.1 4,-0.2 -20,-0.1 -0.184 91.9 100.8 -83.1 42.8 -0.7 5.0 9.3 91 110 A L T 5S- 0 0 121 -2,-0.9 5,-0.3 1,-0.1 -1,-0.2 -0.494 109.6 -50.8-126.3 59.6 -0.3 8.5 10.7 92 111 A S T 5S+ 0 0 82 3,-1.4 4,-0.2 -2,-0.1 -1,-0.1 0.935 123.2 61.6 69.0 96.3 1.5 10.2 7.8 93 112 A G T 5S+ 0 0 57 -5,-0.1 3,-0.2 -3,-0.0 -3,-0.1 -0.543 114.1 15.7 161.8 -90.4 4.5 8.1 6.8 94 113 A N S