==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 29-OCT-06 2NPR . COMPND 2 MOLECULE: MEROZOITE SURFACE PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX (STRAIN BELEM); . AUTHOR J.J.BABON,W.D.MORGAN,G.KELLY,J.F.ECCLESTON,J.FEENEY, . 90 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 43.3 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 18.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 13 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.1 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+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 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 1 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 . 3 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 T >> 0 0 98 0, 0.0 2,-3.7 0, 0.0 4,-1.3 0.000 360.0 360.0 360.0 40.4 -14.6 -10.6 -5.5 2 2 A M T 34 - 0 0 182 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.261 360.0 -33.8 65.4 -67.4 -15.1 -11.2 -9.2 3 3 A S T 34 S- 0 0 109 -2,-3.7 -1,-0.3 0, 0.0 0, 0.0 0.404 121.0 -34.6-152.6 -39.4 -12.4 -13.8 -9.3 4 4 A S T <4 S+ 0 0 90 -3,-1.0 -2,-0.1 3,-0.0 0, 0.0 0.195 71.5 143.0 173.8 42.0 -9.6 -12.9 -6.8 5 5 A E < - 0 0 117 -4,-1.3 16,-0.1 1,-0.1 3,-0.1 0.764 46.2-149.3 -67.7 -21.0 -9.0 -9.1 -6.6 6 6 A H + 0 0 66 1,-0.2 15,-3.1 -5,-0.2 2,-0.3 0.660 49.3 140.3 62.2 10.1 -8.4 -9.6 -2.8 7 7 A T - 0 0 39 13,-0.3 -1,-0.2 1,-0.1 13,-0.2 -0.634 64.8 -89.2 -86.4 143.1 -9.8 -6.1 -2.5 8 8 A a - 0 0 15 20,-0.3 -1,-0.1 -2,-0.3 13,-0.1 0.053 30.3-141.8 -41.3 159.7 -12.1 -5.4 0.5 9 9 A I S S- 0 0 101 -3,-0.1 -1,-0.1 11,-0.1 18,-0.0 0.707 84.1 -16.7-102.2 -25.0 -15.8 -6.1 -0.2 10 10 A D S S+ 0 0 121 2,-0.0 3,-0.1 0, 0.0 -2,-0.1 0.098 94.0 130.8-170.9 38.6 -17.4 -3.2 1.7 11 11 A T S S- 0 0 34 1,-0.1 2,-0.8 17,-0.1 17,-0.1 -0.170 73.9 -61.4 -88.2-171.6 -14.9 -1.6 4.1 12 12 A N + 0 0 69 15,-0.1 -1,-0.1 1,-0.1 -4,-0.1 -0.597 63.2 161.5 -75.5 110.7 -14.0 2.1 4.5 13 13 A V - 0 0 62 -2,-0.8 4,-0.1 6,-0.1 6,-0.1 -0.646 18.6-165.7-133.7 80.0 -12.6 3.2 1.2 14 14 A P - 0 0 34 0, 0.0 3,-0.4 0, 0.0 16,-0.1 -0.145 35.5 -89.6 -59.4 156.9 -12.7 6.9 0.8 15 15 A D S S+ 0 0 130 1,-0.2 3,-0.1 27,-0.1 27,-0.1 -0.135 111.9 38.4 -63.3 166.9 -12.2 8.4 -2.7 16 16 A N S S+ 0 0 85 1,-0.2 16,-1.9 15,-0.1 2,-0.3 0.845 106.7 92.0 61.0 29.4 -8.6 9.2 -3.8 17 17 A A E -A 31 0A 22 -3,-0.4 2,-0.4 14,-0.3 14,-0.3 -0.952 69.0-129.3-147.1 167.4 -7.5 6.0 -2.0 18 18 A A E -A 30 0A 15 12,-3.2 12,-4.2 -2,-0.3 2,-0.3 -0.972 18.9-162.6-124.3 133.7 -6.8 2.3 -2.7 19 19 A a E -A 29 0A 11 -2,-0.4 2,-0.3 10,-0.3 10,-0.3 -0.873 7.8-179.4-115.6 148.9 -8.2 -0.6 -0.5 20 20 A Y E -A 28 0A 54 8,-3.0 8,-1.3 -2,-0.3 2,-0.3 -0.985 18.9-138.9-147.5 134.5 -7.1 -4.2 -0.3 21 21 A R - 0 0 73 -15,-3.1 6,-0.2 -2,-0.3 5,-0.0 -0.716 22.4-129.5 -93.8 143.0 -8.3 -7.2 1.7 22 22 A Y > - 0 0 127 -2,-0.3 3,-1.1 4,-0.1 -1,-0.1 -0.181 28.9-101.3 -79.9 179.3 -5.8 -9.6 3.3 23 23 A L T 3 S+ 0 0 129 1,-0.2 -1,-0.1 2,-0.1 -17,-0.0 0.782 118.4 67.1 -74.1 -24.5 -6.0 -13.4 2.9 24 24 A D T 3 S- 0 0 135 1,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.426 122.7-103.5 -76.6 6.5 -7.5 -13.8 6.4 25 25 A G S < S+ 0 0 21 -3,-1.1 -2,-0.1 1,-0.2 -1,-0.1 0.514 80.6 137.2 85.5 2.3 -10.6 -12.0 5.0 26 26 A T - 0 0 69 -18,-0.1 2,-0.3 -5,-0.0 -1,-0.2 0.015 45.4-134.4 -69.2-173.8 -9.6 -8.8 6.8 27 27 A E - 0 0 47 -6,-0.2 2,-0.4 -19,-0.1 -6,-0.2 -0.984 20.3-179.8-149.1 136.0 -9.9 -5.4 5.1 28 28 A E E -A 20 0A 83 -8,-1.3 -8,-3.0 -2,-0.3 2,-0.5 -0.996 12.4-154.5-137.6 139.4 -7.5 -2.4 4.8 29 29 A W E -A 19 0A 72 -2,-0.4 -10,-0.3 -10,-0.3 2,-0.3 -0.941 14.8-175.7-117.0 123.2 -8.0 1.0 3.0 30 30 A R E -A 18 0A 67 -12,-4.2 -12,-3.2 -2,-0.5 2,-0.2 -0.767 17.0-130.8-112.9 160.6 -4.9 2.9 1.8 31 31 A b E -A 17 0A 9 -14,-0.3 -14,-0.3 -2,-0.3 56,-0.1 -0.693 28.9 -96.7-107.8 163.3 -4.7 6.4 0.2 32 32 A L > - 0 0 67 -16,-1.9 3,-0.6 -2,-0.2 -1,-0.2 0.132 47.9 -91.0 -62.0-171.4 -2.8 7.5 -2.9 33 33 A L T 3 S+ 0 0 37 1,-0.2 -1,-0.1 3,-0.1 38,-0.1 0.737 128.9 44.9 -78.4 -20.5 0.6 9.1 -2.7 34 34 A T T 3 S+ 0 0 96 11,-0.1 11,-2.3 -18,-0.1 2,-0.4 0.306 105.4 74.3-104.4 9.6 -0.9 12.6 -2.5 35 35 A F E < -B 44 0B 35 -3,-0.6 2,-0.4 9,-0.3 -4,-0.2 -0.968 57.5-168.9-125.3 137.7 -3.6 11.7 0.0 36 36 A K E -B 43 0B 37 7,-3.0 7,-2.2 -2,-0.4 2,-0.7 -0.977 15.3-142.3-126.3 127.7 -3.1 11.0 3.8 37 37 A E E +B 42 0B 56 -2,-0.4 2,-0.4 5,-0.3 5,-0.3 -0.762 28.2 165.6 -91.0 117.4 -5.9 9.5 6.0 38 38 A E S S+ 0 0 160 3,-3.0 3,-0.1 -2,-0.7 -2,-0.0 -0.850 70.8 2.2-133.9 100.8 -5.9 11.0 9.5 39 39 A G S S- 0 0 78 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.679 131.6 -56.3 99.7 21.1 -9.0 10.4 11.7 40 40 A G S S+ 0 0 48 1,-0.3 2,-0.3 -28,-0.0 -1,-0.1 0.340 123.7 92.9 91.2 -9.1 -10.8 8.1 9.2 41 41 A K - 0 0 141 -3,-0.1 -3,-3.0 -27,-0.0 2,-0.4 -0.889 64.2-145.3-118.0 149.2 -10.7 10.9 6.5 42 42 A b E +B 37 0B 16 -2,-0.3 -5,-0.3 -5,-0.3 -27,-0.1 -0.899 19.7 175.4-114.9 142.8 -8.0 11.4 3.8 43 43 A V E -B 36 0B 69 -7,-2.2 -7,-3.0 -2,-0.4 -12,-0.0 -0.914 42.2 -71.7-139.2 166.9 -6.8 14.8 2.5 44 44 A P E -B 35 0B 94 0, 0.0 -9,-0.3 0, 0.0 3,-0.2 -0.264 40.0-159.5 -57.2 138.9 -4.2 16.1 0.1 45 45 A A + 0 0 9 -11,-2.3 2,-3.9 1,-0.1 -11,-0.1 0.925 35.4 144.8 -87.2 -75.3 -0.6 15.8 1.5 46 46 A S S S+ 0 0 89 1,-0.3 -1,-0.1 2,-0.2 -11,-0.1 -0.192 80.3 51.7 67.9 -58.1 1.6 18.3 -0.3 47 47 A N S S+ 0 0 122 -2,-3.9 2,-0.6 -3,-0.2 -1,-0.3 0.643 90.9 93.1 -83.5 -12.5 3.6 18.8 2.9 48 48 A V + 0 0 29 7,-0.1 23,-0.4 4,-0.1 2,-0.3 -0.690 54.2 128.4 -84.0 122.6 4.1 15.1 3.4 49 49 A T S > S- 0 0 11 -2,-0.6 3,-3.5 21,-0.1 7,-0.1 -0.934 75.6 -65.0-158.0 180.0 7.4 13.9 1.9 50 50 A c T 3 S+ 0 0 30 1,-0.3 4,-0.3 -2,-0.3 13,-0.1 0.905 127.9 64.2 -42.0 -46.9 10.6 11.9 2.6 51 51 A K T 3 S+ 0 0 160 2,-0.1 -1,-0.3 -3,-0.0 2,-0.1 0.835 112.3 41.0 -49.3 -28.1 11.4 14.6 5.2 52 52 A D S < S- 0 0 94 -3,-3.5 2,-0.8 1,-0.1 3,-0.2 -0.118 120.6 -57.8-101.5-156.7 8.3 13.4 6.9 53 53 A N S S- 0 0 128 1,-0.2 3,-0.4 -2,-0.1 4,-0.1 -0.767 104.6 -37.8 -91.6 111.0 7.0 9.8 7.5 54 54 A N - 0 0 51 -2,-0.8 2,-2.9 -4,-0.3 -1,-0.2 0.859 62.7-128.7 39.8 102.2 6.5 8.1 4.1 55 55 A G S S- 0 0 0 1,-0.2 -1,-0.2 -3,-0.2 -5,-0.1 -0.024 88.8 -38.5 -69.3 42.7 5.2 10.9 1.7 56 56 A G S S+ 0 0 4 -2,-2.9 -1,-0.2 -3,-0.4 31,-0.2 0.689 112.4 125.9 107.8 27.1 2.5 8.5 0.8 57 57 A d - 0 0 6 -4,-0.1 29,-0.1 4,-0.1 16,-0.1 0.128 56.2 -97.6 -94.2-147.0 4.5 5.2 0.8 58 58 A A > - 0 0 4 27,-0.1 3,-2.4 -28,-0.0 30,-0.2 -0.900 33.4 -95.6-136.1 165.9 3.9 2.0 2.6 59 59 A P T 3 S+ 0 0 107 0, 0.0 29,-0.1 0, 0.0 28,-0.1 0.677 130.2 30.7 -55.0 -15.7 5.0 0.2 5.8 60 60 A E T 3 S+ 0 0 97 26,-0.2 16,-0.6 27,-0.1 2,-0.3 0.028 99.9 104.0-132.5 28.8 7.5 -1.6 3.5 61 61 A A E < -C 75 0C 12 -3,-2.4 2,-0.3 14,-0.2 14,-0.2 -0.833 66.0-122.8-112.3 151.5 8.2 1.0 0.8 62 62 A E E -C 74 0C 136 12,-1.9 12,-1.3 -2,-0.3 2,-0.5 -0.667 21.0-133.8 -91.4 145.6 11.3 3.2 0.4 63 63 A c E +C 73 0C 50 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.854 30.1 167.7-102.7 126.9 10.9 7.0 0.2 64 64 A K E -C 72 0C 82 8,-2.2 8,-4.3 -2,-0.5 2,-0.3 -0.998 23.3-141.4-137.1 138.0 12.8 9.0 -2.5 65 65 A M E -C 71 0C 79 -2,-0.4 6,-0.2 6,-0.3 2,-0.1 -0.759 14.3-142.5-100.8 146.5 12.3 12.6 -3.6 66 66 A T > - 0 0 47 4,-1.6 3,-2.7 -2,-0.3 4,-0.1 -0.359 41.4 -84.4 -95.7-179.8 12.5 13.8 -7.2 67 67 A D T 3 S+ 0 0 162 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.690 131.6 57.2 -59.7 -13.2 14.0 17.0 -8.6 68 68 A S T 3 S- 0 0 72 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.294 119.3-110.6-100.4 10.9 10.7 18.6 -7.7 69 69 A N < + 0 0 104 -3,-2.7 2,-0.5 1,-0.2 -2,-0.1 0.754 68.8 150.4 68.7 20.8 10.9 17.6 -4.0 70 70 A K - 0 0 119 -21,-0.1 -4,-1.6 -4,-0.1 2,-0.6 -0.737 48.0-127.7 -88.8 127.1 8.1 15.2 -4.6 71 71 A I E -C 65 0C 17 -2,-0.5 2,-0.4 -23,-0.4 -6,-0.3 -0.597 26.5-163.6 -75.7 118.9 8.2 12.1 -2.3 72 72 A V E -C 64 0C 49 -8,-4.3 -8,-2.2 -2,-0.6 2,-0.5 -0.817 2.3-153.8-103.6 141.1 8.0 8.9 -4.4 73 73 A d E +C 63 0C 12 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.940 16.8 170.7-117.9 133.5 7.2 5.5 -2.9 74 74 A K E -C 62 0C 102 -12,-1.3 -12,-1.9 -2,-0.5 2,-0.5 -0.937 18.3-152.9-142.2 117.8 8.2 2.1 -4.2 75 75 A e E +C 61 0C 0 -2,-0.4 -14,-0.2 -14,-0.2 15,-0.1 -0.766 35.0 140.6 -92.6 128.4 7.8 -1.2 -2.4 76 76 A T + 0 0 86 -16,-0.6 2,-1.8 -2,-0.5 3,-0.1 -0.135 3.2 152.7-160.2 52.3 10.4 -3.9 -3.4 77 77 A K S S- 0 0 131 -17,-0.2 4,-0.1 1,-0.2 -2,-0.0 -0.323 79.9 -71.8 -84.3 59.0 11.5 -5.9 -0.3 78 78 A E S S+ 0 0 168 -2,-1.8 -1,-0.2 1,-0.2 3,-0.1 0.821 128.1 16.4 55.7 110.6 12.2 -9.1 -2.3 79 79 A G S S+ 0 0 71 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.716 97.4 142.6 71.4 16.5 9.0 -10.7 -3.5 80 80 A S - 0 0 21 -20,-0.0 -1,-0.3 1,-0.0 -2,-0.1 -0.710 37.1-161.7 -92.2 141.0 7.2 -7.4 -2.7 81 81 A E - 0 0 106 9,-3.0 9,-3.0 -2,-0.3 -5,-0.1 -0.837 9.2-150.9-126.6 97.5 4.4 -6.2 -5.0 82 82 A P B -D 89 0D 56 0, 0.0 2,-0.6 0, 0.0 7,-0.3 -0.309 15.9-129.8 -63.2 142.9 3.5 -2.6 -4.7 83 83 A L > - 0 0 14 5,-0.6 3,-3.3 -65,-0.0 2,-2.4 -0.853 58.2 -59.8-102.2 120.5 -0.1 -1.7 -5.4 84 84 A F T 3 S+ 0 0 141 -2,-0.6 -1,-0.0 1,-0.3 5,-0.0 -0.097 144.1 18.3 46.0 -75.5 -0.7 1.2 -7.9 85 85 A E T 3 S- 0 0 28 -2,-2.4 -1,-0.3 3,-0.1 -12,-0.2 0.734 104.5-120.9 -92.9 -25.4 1.2 3.6 -5.7 86 86 A G S < S+ 0 0 0 -3,-3.3 3,-0.3 2,-0.2 -26,-0.2 0.261 75.2 128.5 101.8 -12.4 3.1 1.1 -3.5 87 87 A V S S+ 0 0 12 -4,-0.4 2,-0.3 1,-0.3 -27,-0.1 0.740 87.4 26.0 -49.6 -16.4 1.5 2.4 -0.3 88 88 A F S S- 0 0 31 -5,-0.3 -5,-0.6 -30,-0.2 2,-0.5 -0.804 78.5-177.8-150.0 102.2 0.6 -1.3 0.1 89 89 A e B D 82 0D 16 -3,-0.3 -13,-0.1 -2,-0.3 -15,-0.0 -0.880 360.0 360.0-108.2 132.9 2.8 -4.0 -1.6 90 90 A S 0 0 91 -9,-3.0 -9,-3.0 -2,-0.5 -2,-0.0 -0.230 360.0 360.0 -66.3 360.0 2.0 -7.7 -1.3