==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 15-JAN-10 3LEK . COMPND 2 MOLECULE: PLATELET AGGREGATION FACTOR SM-HPAF; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MITIS; . AUTHOR S.C.FEIL . 141 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 66.0 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 . 48 34.0 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 . 1 0.7 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 . 14 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 11.3 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+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 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 0 2 1 0 0 0 0 0 1 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 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 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 44 A V 0 0 77 0, 0.0 139,-0.2 0, 0.0 138,-0.1 0.000 360.0 360.0 360.0 161.5 17.9 -24.4 0.6 2 45 A E - 0 0 78 137,-2.8 139,-0.1 2,-0.1 60,-0.1 -0.304 360.0-132.3 -66.6 160.4 16.1 -26.6 3.2 3 46 A T S S+ 0 0 138 135,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.678 73.5 104.7 -94.4 -19.5 12.6 -25.5 4.1 4 47 A E - 0 0 104 1,-0.1 2,-1.3 2,-0.0 135,-0.5 -0.485 69.6-137.2 -65.7 123.1 13.1 -25.8 7.9 5 48 A N > - 0 0 29 -2,-0.3 3,-1.1 1,-0.2 133,-0.2 -0.673 22.5-175.0 -77.0 97.9 13.4 -22.3 9.5 6 49 A I T 3 S+ 0 0 3 131,-2.2 -1,-0.2 -2,-1.3 132,-0.1 0.564 74.6 67.2 -75.5 -8.1 16.3 -23.2 12.0 7 50 A A T > S+ 0 0 0 130,-0.6 3,-2.3 2,-0.1 -1,-0.2 0.718 73.5 116.7 -77.8 -18.3 16.2 -19.7 13.6 8 51 A R T < S- 0 0 130 -3,-1.1 20,-0.2 1,-0.3 3,-0.1 -0.231 89.5 -4.5 -62.0 124.1 12.7 -20.4 15.1 9 52 A G T 3 S+ 0 0 56 18,-2.9 -1,-0.3 15,-0.2 19,-0.1 0.510 99.1 138.2 73.2 5.1 12.7 -20.5 18.9 10 53 A K < - 0 0 69 -3,-2.3 2,-0.3 17,-0.2 -1,-0.2 -0.314 67.2 -82.4 -74.5 164.5 16.5 -20.0 19.1 11 54 A Q E -A 54 0A 148 43,-0.7 43,-2.7 -3,-0.1 2,-0.3 -0.511 54.7-175.5 -69.8 125.3 18.2 -17.6 21.6 12 55 A A E +A 53 0A 13 -2,-0.3 2,-0.3 41,-0.2 41,-0.2 -0.876 9.3 172.3-122.3 158.1 18.1 -14.0 20.3 13 56 A S E -A 52 0A 48 39,-2.5 39,-3.2 -2,-0.3 2,-0.3 -0.938 8.0-165.1-153.9 165.6 19.6 -10.8 21.6 14 57 A Q E -A 51 0A 18 -2,-0.3 37,-0.3 37,-0.3 3,-0.1 -0.950 40.2 -92.3-156.2 170.7 20.1 -7.2 20.5 15 58 A S S S- 0 0 33 35,-2.7 2,-0.3 -2,-0.3 36,-0.1 0.881 101.0 -25.7 -60.3 -40.8 22.0 -4.0 21.2 16 59 A S - 0 0 21 34,-0.3 2,-0.4 28,-0.1 -1,-0.2 -0.954 63.1-121.4-158.4 171.9 19.2 -2.7 23.5 17 60 A T + 0 0 79 -2,-0.3 2,-0.3 26,-0.2 26,-0.3 -0.982 30.1 167.8-126.4 130.8 15.4 -3.0 23.9 18 61 A A > + 0 0 19 24,-2.4 3,-2.7 -2,-0.4 -2,-0.0 -0.943 61.8 18.6-134.3 161.6 12.8 -0.3 23.7 19 62 A Y T 3 S- 0 0 166 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.760 124.7 -71.4 52.5 26.7 9.0 -0.0 23.5 20 63 A G T 3 S+ 0 0 49 1,-0.2 2,-2.2 -3,-0.1 -1,-0.3 0.600 87.7 153.8 70.0 14.7 8.9 -3.6 24.8 21 64 A G < - 0 0 0 -3,-2.7 21,-2.1 21,-0.3 -3,-0.2 -0.392 30.8-159.6 -80.8 63.3 10.3 -4.9 21.4 22 65 A A > - 0 0 36 -2,-2.2 3,-2.1 19,-0.2 4,-0.2 -0.113 21.8-126.9 -47.4 135.1 12.0 -8.1 22.7 23 66 A A G > S+ 0 0 10 1,-0.3 3,-1.7 2,-0.2 -10,-0.2 0.770 107.0 67.6 -54.1 -34.0 14.7 -9.6 20.5 24 67 A T G > S+ 0 0 81 1,-0.3 3,-1.7 -12,-0.2 -1,-0.3 0.651 80.3 80.3 -65.6 -14.2 12.9 -13.0 20.6 25 68 A R G X S+ 0 0 47 -3,-2.1 3,-0.7 1,-0.3 5,-0.3 0.750 85.1 60.5 -64.2 -23.2 10.0 -11.4 18.5 26 69 A A G < S+ 0 0 0 -3,-1.7 109,-3.2 -4,-0.2 -1,-0.3 0.537 112.3 36.2 -80.4 -7.3 12.2 -11.9 15.4 27 70 A V G < S+ 0 0 2 -3,-1.7 -18,-2.9 107,-0.2 -1,-0.2 0.001 83.7 105.4-131.1 31.1 12.3 -15.7 15.9 28 71 A D S < S- 0 0 53 -3,-0.7 -2,-0.1 2,-0.2 -3,-0.1 0.337 93.0-108.2 -96.0 6.8 8.7 -16.4 17.2 29 72 A G S S+ 0 0 46 1,-0.1 2,-0.4 -3,-0.1 105,-0.1 0.747 88.0 109.8 73.2 24.8 7.4 -17.9 14.0 30 73 A N - 0 0 68 -5,-0.3 -2,-0.2 103,-0.2 -1,-0.1 -0.908 42.9-176.8-136.9 107.1 5.2 -14.8 13.3 31 74 A V + 0 0 60 -2,-0.4 103,-0.1 -3,-0.1 102,-0.1 0.366 35.3 139.7 -83.6 4.5 6.1 -12.5 10.4 32 75 A D - 0 0 59 1,-0.2 7,-0.2 101,-0.1 -2,-0.1 -0.309 39.3-160.2 -51.9 120.4 3.2 -10.1 11.2 33 76 A S + 0 0 43 36,-0.1 37,-2.7 -2,-0.1 38,-0.9 0.385 54.2 109.2 -96.0 6.0 5.0 -6.7 10.6 34 77 A D > > - 0 0 56 36,-0.2 3,-2.6 35,-0.2 5,-0.6 -0.718 60.6-149.8 -86.1 113.4 2.6 -4.5 12.6 35 78 A Y G > 5S+ 0 0 28 -2,-0.7 3,-2.0 1,-0.3 5,-0.3 0.850 95.5 63.8 -49.2 -36.8 4.5 -3.3 15.7 36 79 A G G 3 5S+ 0 0 44 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.623 91.6 64.5 -66.5 -12.9 1.1 -3.2 17.5 37 80 A H G < 5S- 0 0 103 -3,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.358 108.3-125.3 -94.2 5.0 0.7 -6.9 17.1 38 81 A H T < 5S+ 0 0 124 -3,-2.0 -3,-0.1 -4,-0.2 -2,-0.1 0.700 82.8 104.9 67.0 25.0 3.8 -7.5 19.3 39 82 A S < + 0 0 1 -5,-0.6 2,-0.4 -7,-0.2 -11,-0.2 0.164 59.6 86.8-120.0 22.5 5.8 -9.6 16.9 40 83 A V S S- 0 0 0 -5,-0.3 93,-0.2 -6,-0.1 -14,-0.1 -0.958 70.8-131.8-124.0 133.6 8.4 -7.0 15.9 41 84 A T - 0 0 0 91,-2.1 2,-0.3 -2,-0.4 -19,-0.2 -0.258 19.6-169.3 -78.8 169.4 11.6 -6.1 17.7 42 85 A H - 0 0 3 -21,-2.1 -24,-2.4 89,-0.2 -21,-0.3 -0.831 4.6-170.0-162.0 121.1 12.8 -2.6 18.7 43 86 A T - 0 0 0 87,-1.1 -26,-0.2 -26,-0.3 -22,-0.0 -0.486 41.5 -79.1 -96.0 178.6 16.1 -1.3 20.0 44 87 A N - 0 0 74 -2,-0.2 2,-1.0 1,-0.1 86,-0.3 -0.321 53.5 -93.4 -62.5 154.7 16.9 2.2 21.4 45 88 A F S S+ 0 0 87 84,-0.1 2,-0.3 82,-0.1 82,-0.1 -0.728 82.3 133.4 -64.5 104.6 17.4 5.0 19.0 46 89 A E B > -F 128 0B 50 -2,-1.0 82,-2.7 82,-0.5 3,-0.5 -0.915 60.5 -80.1-149.3 176.1 21.2 4.5 19.0 47 90 A D T 3 S- 0 0 89 -2,-0.3 79,-0.2 80,-0.2 77,-0.1 -0.699 105.2 -1.8 -85.1 134.5 24.3 4.2 16.8 48 91 A N T 3 S- 0 0 97 77,-1.9 -1,-0.2 -2,-0.4 76,-0.1 0.896 81.9-165.1 60.0 45.5 25.0 0.9 15.1 49 92 A A < - 0 0 0 -3,-0.5 74,-2.8 79,-0.5 2,-0.3 -0.259 9.9-172.6 -58.5 148.5 22.0 -1.0 16.5 50 93 A W E - B 0 122A 77 72,-0.2 -35,-2.7 80,-0.1 -34,-0.3 -0.967 20.4-163.8-146.8 159.5 22.3 -4.8 16.1 51 94 A W E -AB 14 121A 0 70,-1.9 70,-2.7 -2,-0.3 2,-0.3 -0.973 15.1-172.3-142.7 146.2 20.3 -8.0 16.6 52 95 A Q E -AB 13 120A 17 -39,-3.2 -39,-2.5 -2,-0.3 2,-0.4 -0.990 14.7-157.3-144.9 145.5 21.6 -11.6 16.7 53 96 A V E -AB 12 119A 0 66,-2.3 66,-2.1 -2,-0.3 2,-0.7 -0.990 14.5-144.3-120.9 136.1 20.3 -15.1 16.8 54 97 A D E -AB 11 118A 21 -43,-2.7 -43,-0.7 -2,-0.4 64,-0.2 -0.898 2.8-159.4 -94.1 114.2 22.4 -18.0 18.1 55 98 A L E - 0 0 4 62,-3.1 63,-0.1 -2,-0.7 -1,-0.1 0.615 35.3-127.5 -68.5 -14.1 21.7 -21.2 16.0 56 99 A G E S+ 0 0 44 61,-0.4 2,-0.3 -45,-0.1 -1,-0.1 0.148 81.6 27.6 90.2 -21.0 23.0 -23.1 19.0 57 100 A K E S- 0 0 116 60,-0.2 2,-0.4 59,-0.1 -2,-0.1 -0.928 101.3 -76.0-152.4 174.8 25.5 -25.1 16.9 58 101 A T E + 0 0 65 -2,-0.3 2,-0.3 57,-0.1 59,-0.3 -0.678 53.2 179.6 -81.9 126.4 27.4 -24.6 13.6 59 102 A E E - B 0 116A 19 57,-2.9 57,-2.8 -2,-0.4 2,-1.0 -0.918 36.9-112.4-127.3 150.3 25.2 -25.0 10.5 60 103 A N E - B 0 115A 43 -2,-0.3 80,-2.9 55,-0.2 2,-0.4 -0.750 43.5-158.4 -84.8 103.5 25.7 -24.7 6.8 61 104 A V E +CB 139 114A 0 53,-3.1 53,-1.9 -2,-1.0 78,-0.2 -0.688 31.2 159.5 -96.3 127.7 23.7 -21.6 6.0 62 105 A G E + 0 0 4 76,-2.1 49,-1.9 -2,-0.4 2,-0.3 0.613 65.8 28.8-113.6 -22.7 22.5 -20.8 2.6 63 106 A K E -CB 138 110A 29 75,-1.7 75,-2.6 47,-0.3 2,-0.4 -0.986 46.9-176.5-147.5 133.3 19.6 -18.3 3.2 64 107 A V E -CB 137 109A 0 45,-2.6 45,-3.1 -2,-0.3 2,-0.5 -0.999 16.5-161.0-122.2 128.2 18.7 -15.6 5.7 65 108 A K E -CB 136 108A 31 71,-3.2 71,-2.3 -2,-0.4 2,-0.4 -0.949 0.6-160.4-115.8 124.7 15.3 -13.9 5.2 66 109 A L E -CB 135 107A 0 41,-2.8 41,-2.3 -2,-0.5 2,-0.5 -0.855 2.2-159.8-100.2 136.5 14.6 -10.6 6.8 67 110 A Y E -CB 134 106A 26 67,-2.7 66,-2.1 -2,-0.4 67,-1.3 -0.972 19.3-141.2-113.8 122.2 11.0 -9.3 7.3 68 111 A N E -C 132 0A 12 37,-3.0 2,-0.2 -2,-0.5 64,-0.2 -0.363 24.1 -95.6 -78.1 157.1 10.8 -5.5 7.8 69 112 A R - 0 0 32 62,-0.7 -35,-0.2 6,-0.1 9,-0.1 -0.525 38.1-168.4 -62.6 142.8 8.4 -3.6 10.2 70 113 A G + 0 0 52 -37,-2.7 3,-0.3 -2,-0.2 2,-0.2 0.534 50.9 76.0-119.3 -12.7 5.4 -2.5 8.1 71 114 A D S > S+ 0 0 37 -38,-0.9 3,-0.8 1,-0.2 -2,-0.0 -0.634 83.6 28.7-102.2 162.2 3.4 0.0 10.2 72 115 A G T 3 S- 0 0 60 1,-0.2 -1,-0.2 -2,-0.2 -38,-0.0 0.529 107.3 -90.7 79.1 8.8 3.9 3.7 11.0 73 116 A N T 3 S+ 0 0 162 -3,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.861 97.6 116.0 51.7 44.8 5.9 4.6 7.9 74 117 A V X + 0 0 24 -3,-0.8 3,-1.8 1,-0.1 4,-0.2 0.070 25.5 118.4-128.5 22.1 9.3 3.8 9.4 75 118 A A G > + 0 0 42 1,-0.3 3,-1.8 2,-0.2 -6,-0.1 0.806 65.6 72.9 -56.1 -32.5 10.3 0.9 7.1 76 119 A N G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.569 73.7 81.0 -62.3 -17.0 13.2 3.0 6.0 77 120 A R G < S+ 0 0 55 -3,-1.8 2,-1.6 1,-0.2 -1,-0.3 0.821 79.5 70.7 -62.3 -29.7 15.0 2.4 9.4 78 121 A L S < S+ 0 0 5 -3,-1.8 23,-0.3 -4,-0.2 2,-0.3 -0.590 81.1 109.2 -84.7 77.5 16.1 -0.9 8.0 79 122 A S + 0 0 32 -2,-1.6 45,-0.4 1,-0.2 21,-0.3 -0.963 61.5 26.2-146.4 159.8 18.6 0.6 5.5 80 123 A N S S+ 0 0 55 19,-1.7 44,-2.2 -2,-0.3 2,-0.3 0.964 89.6 136.1 48.5 65.3 22.4 0.8 5.3 81 124 A F E -DE 98 123A 0 17,-2.0 17,-2.5 42,-0.2 2,-0.3 -0.938 49.1-129.9-138.9 162.0 23.0 -2.4 7.2 82 125 A D E -DE 97 122A 12 40,-2.6 40,-2.6 -2,-0.3 2,-0.5 -0.860 6.9-148.1-109.7 149.7 25.1 -5.6 7.1 83 126 A V E -DE 96 121A 0 13,-2.5 13,-2.2 -2,-0.3 2,-0.4 -0.986 29.7-167.4-113.0 122.6 23.9 -9.2 7.5 84 127 A V E -DE 95 120A 0 36,-3.0 36,-3.0 -2,-0.5 2,-0.4 -0.889 20.1-158.0-120.1 137.3 26.7 -11.1 9.2 85 128 A L E -DE 94 119A 0 9,-2.3 8,-3.2 -2,-0.4 9,-1.4 -0.947 17.4-169.9-108.1 133.5 27.5 -14.7 9.7 86 129 A L E -DE 92 118A 17 32,-2.6 31,-2.9 -2,-0.4 32,-2.4 -0.947 16.8-127.5-124.1 149.3 29.8 -15.7 12.6 87 130 A N > - 0 0 36 4,-3.0 3,-2.1 -2,-0.4 29,-0.1 -0.110 45.7 -84.6 -78.1-177.1 31.5 -18.9 13.5 88 131 A E T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.821 132.1 54.2 -61.5 -32.5 31.3 -20.5 17.0 89 132 A A T 3 S- 0 0 74 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.314 121.2-110.7 -80.6 6.3 34.2 -18.4 18.2 90 133 A K S < S+ 0 0 127 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.695 71.1 142.2 69.5 24.2 32.2 -15.3 17.0 91 134 A Q - 0 0 123 1,-0.1 -4,-3.0 2,-0.0 -1,-0.3 -0.729 59.9-101.0 -89.6 147.1 34.6 -14.5 14.1 92 135 A E E +D 86 0A 101 -2,-0.3 -6,-0.3 -6,-0.3 3,-0.1 -0.448 40.4 171.1 -64.4 130.1 33.0 -13.3 10.9 93 136 A V E S+ 0 0 50 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.557 71.2 1.8-112.9 -14.1 32.7 -15.9 8.2 94 137 A A E -D 85 0A 13 -9,-1.4 -9,-2.3 20,-0.1 -1,-0.4 -0.973 59.1-175.6-163.9 156.6 30.6 -13.8 5.8 95 138 A R E -D 84 0A 92 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.925 3.1-169.3-161.0 131.1 29.1 -10.3 5.5 96 139 A Q E -D 83 0A 66 -13,-2.2 -13,-2.5 -2,-0.3 2,-0.4 -0.994 13.0-145.2-127.0 136.1 26.7 -8.6 3.0 97 140 A H E -D 82 0A 83 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.782 13.7-171.9 -99.4 140.4 25.9 -4.9 2.8 98 141 A F E -D 81 0A 38 -17,-2.5 -17,-2.0 -2,-0.4 -18,-0.2 -0.998 18.9-164.0-129.7 135.6 22.5 -3.6 1.8 99 142 A D S S- 0 0 127 -2,-0.4 -19,-1.7 1,-0.2 2,-0.3 0.889 73.9 -25.9 -74.7 -38.4 21.5 0.1 1.1 100 143 A S - 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