==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 03-SEP-12 4GWJ . COMPND 2 MOLECULE: PLATELET AGGREGATION FACTOR SM-HPAF; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MITIS; . AUTHOR S.C.FEIL . 142 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 64.8 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 . 50 35.2 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 . 13 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 10.6 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 . 2 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 43 A P 0 0 151 0, 0.0 141,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 121.0 24.3 -19.3 3.3 2 44 A V B -A 141 0A 46 139,-0.3 139,-0.2 61,-0.0 60,-0.1 -0.946 360.0-106.5-137.3 153.0 24.3 -18.2 -0.4 3 45 A E - 0 0 73 137,-2.6 139,-0.1 -2,-0.3 60,-0.1 -0.199 24.8-129.5 -69.7 167.3 26.5 -16.2 -2.8 4 46 A T S S+ 0 0 139 135,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.658 74.3 102.2 -98.1 -16.4 25.4 -12.8 -3.9 5 47 A E - 0 0 107 1,-0.1 2,-1.0 135,-0.1 135,-0.4 -0.530 68.2-137.8 -72.9 127.3 25.8 -13.1 -7.7 6 48 A N > - 0 0 30 -2,-0.3 3,-0.9 1,-0.2 133,-0.2 -0.706 20.8-173.7 -82.2 106.1 22.4 -13.6 -9.4 7 49 A I T 3 S+ 0 0 2 131,-2.4 -1,-0.2 -2,-1.0 132,-0.1 0.563 74.4 68.4 -84.5 -4.1 23.3 -16.4 -11.9 8 50 A A T > S+ 0 0 0 130,-0.5 3,-2.1 2,-0.1 -1,-0.3 0.722 71.8 115.3 -83.6 -19.9 19.9 -16.2 -13.7 9 51 A R T < S- 0 0 127 -3,-0.9 20,-0.2 1,-0.3 3,-0.1 -0.217 89.1 -1.4 -52.7 124.3 20.5 -12.8 -15.2 10 52 A G T 3 S+ 0 0 56 18,-3.1 -1,-0.3 1,-0.2 19,-0.1 0.518 99.1 135.4 78.4 6.8 20.7 -12.8 -18.9 11 53 A K < - 0 0 64 -3,-2.1 -1,-0.2 17,-0.2 45,-0.1 -0.315 66.4 -81.1 -83.7 164.1 20.2 -16.5 -19.3 12 54 A Q E -B 55 0B 134 43,-0.6 43,-2.7 -3,-0.1 2,-0.3 -0.449 54.4-178.3 -61.7 134.0 17.9 -18.3 -21.7 13 55 A A E +B 54 0B 17 41,-0.2 2,-0.3 -2,-0.1 41,-0.2 -0.970 9.7 172.7-135.4 150.4 14.3 -18.4 -20.6 14 56 A S E -B 53 0B 48 39,-2.7 39,-2.9 -2,-0.3 2,-0.3 -0.954 7.8-164.5-147.7 172.4 11.1 -19.8 -21.9 15 57 A Q E -B 52 0B 20 -2,-0.3 37,-0.3 37,-0.2 3,-0.1 -0.967 40.0 -93.0-156.1 170.9 7.5 -20.3 -20.8 16 58 A S S S- 0 0 34 35,-2.3 2,-0.3 -2,-0.3 36,-0.1 0.770 99.8 -22.6 -64.6 -30.1 4.4 -22.3 -21.7 17 59 A S - 0 0 20 34,-0.3 2,-0.4 28,-0.1 -1,-0.1 -0.942 63.6-122.3-166.3 171.5 2.9 -19.5 -24.0 18 60 A T + 0 0 79 -2,-0.3 2,-0.3 26,-0.2 26,-0.3 -0.988 28.0 170.5-130.4 132.1 3.2 -15.8 -24.4 19 61 A A > + 0 0 19 24,-2.3 3,-2.9 -2,-0.4 26,-0.1 -0.912 62.5 15.3-134.9 157.4 0.5 -13.1 -24.2 20 62 A H T 3 S- 0 0 140 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.743 123.5 -69.3 52.3 31.2 0.3 -9.3 -24.1 21 63 A G T 3 S+ 0 0 50 1,-0.2 2,-2.2 -3,-0.1 -1,-0.3 0.604 89.0 151.2 70.0 11.6 4.0 -9.1 -25.3 22 64 A G < - 0 0 0 -3,-2.9 21,-2.3 21,-0.3 -1,-0.2 -0.362 31.3-160.8 -86.6 69.4 5.2 -10.6 -21.9 23 65 A A > - 0 0 35 -2,-2.2 3,-2.2 19,-0.2 4,-0.2 -0.125 24.2-124.8 -50.8 139.0 8.4 -12.3 -23.1 24 66 A A G > S+ 0 0 9 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.795 107.6 67.7 -55.2 -32.6 9.9 -15.0 -20.8 25 67 A T G > S+ 0 0 77 1,-0.3 3,-1.5 -12,-0.2 -1,-0.3 0.700 79.4 79.8 -69.0 -10.9 13.2 -13.1 -20.8 26 68 A R G X S+ 0 0 48 -3,-2.2 3,-0.6 1,-0.3 5,-0.3 0.711 85.7 59.3 -68.7 -20.1 11.6 -10.2 -18.9 27 69 A A G < S+ 0 0 0 -3,-1.9 109,-3.0 -4,-0.2 -1,-0.3 0.583 112.1 39.1 -86.2 -2.8 12.0 -12.3 -15.7 28 70 A V G < S+ 0 0 3 -3,-1.5 -18,-3.1 -4,-0.2 -1,-0.2 0.095 84.4 103.2-129.3 30.3 15.8 -12.4 -16.2 29 71 A D S < S- 0 0 51 -3,-0.6 -1,-0.1 2,-0.2 -3,-0.1 0.380 93.7-107.8 -94.8 1.2 16.5 -8.9 -17.5 30 72 A G S S+ 0 0 44 1,-0.2 2,-0.4 -3,-0.1 105,-0.1 0.731 86.9 106.5 84.6 16.6 17.9 -7.5 -14.3 31 73 A N - 0 0 68 -5,-0.3 -2,-0.2 103,-0.2 -1,-0.2 -0.964 44.3-172.6-141.3 107.7 14.9 -5.3 -13.4 32 74 A V + 0 0 61 -2,-0.4 103,-0.1 -3,-0.1 102,-0.1 0.468 35.4 141.5 -85.7 9.0 12.5 -6.2 -10.7 33 75 A D - 0 0 58 1,-0.2 7,-0.2 101,-0.1 -2,-0.1 -0.269 38.4-158.4 -50.2 117.4 10.1 -3.4 -11.5 34 76 A S + 0 0 44 36,-0.1 37,-2.9 37,-0.1 38,-0.9 0.402 56.1 105.6 -90.7 5.6 6.7 -5.0 -10.9 35 77 A D > > - 0 0 56 36,-0.2 3,-2.3 1,-0.2 5,-0.6 -0.778 62.5-147.5 -89.5 118.4 4.4 -2.8 -13.0 36 78 A Y G > 5S+ 0 0 33 -2,-0.6 3,-1.7 1,-0.3 5,-0.3 0.787 96.2 64.2 -54.3 -30.4 3.4 -4.7 -16.2 37 79 A G G 3 5S+ 0 0 44 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.586 90.6 63.5 -71.6 -13.4 3.4 -1.3 -18.0 38 80 A H G < 5S- 0 0 101 -3,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.315 109.4-124.1 -92.1 8.9 7.1 -0.8 -17.5 39 81 A H T < 5S+ 0 0 130 -3,-1.7 -3,-0.1 -4,-0.1 -2,-0.1 0.650 83.1 104.7 72.3 14.6 7.7 -3.9 -19.7 40 82 A S < + 0 0 1 -5,-0.6 2,-0.4 -7,-0.2 -11,-0.2 0.212 58.7 87.2-112.6 21.6 9.8 -6.0 -17.2 41 83 A V - 0 0 0 -5,-0.3 93,-0.2 -6,-0.1 -14,-0.1 -0.962 69.6-132.1-123.1 138.7 7.1 -8.6 -16.3 42 84 A T - 0 0 0 91,-2.6 2,-0.3 -2,-0.4 -19,-0.2 -0.254 19.5-169.4 -80.5 169.5 6.3 -11.8 -18.1 43 85 A H - 0 0 6 -21,-2.3 -24,-2.3 89,-0.2 -21,-0.3 -0.856 6.0-169.1-162.1 124.2 2.8 -13.1 -19.1 44 86 A T - 0 0 0 87,-0.9 -26,-0.2 -26,-0.3 3,-0.0 -0.496 41.8 -83.2 -95.5 177.3 1.6 -16.4 -20.5 45 87 A N - 0 0 74 -2,-0.2 2,-0.7 1,-0.1 86,-0.3 -0.331 53.8 -90.7 -66.2 162.5 -1.8 -17.0 -21.9 46 88 A F S S+ 0 0 101 84,-0.2 2,-0.3 82,-0.1 -1,-0.1 -0.727 81.1 134.3 -68.4 114.5 -4.7 -17.8 -19.5 47 89 A E B > -G 129 0C 49 -2,-0.7 82,-2.4 82,-0.5 3,-0.6 -0.949 60.0 -81.0-158.9 166.5 -4.2 -21.6 -19.6 48 90 A D T 3 S- 0 0 85 -2,-0.3 79,-0.2 1,-0.2 77,-0.0 -0.701 106.2 -0.5 -79.8 136.9 -4.0 -24.6 -17.3 49 91 A N T 3 S- 0 0 92 77,-2.3 -1,-0.2 -2,-0.4 78,-0.1 0.896 82.4-166.1 55.1 50.6 -0.7 -25.3 -15.6 50 92 A A < - 0 0 0 -3,-0.6 74,-3.1 79,-0.4 2,-0.3 -0.256 9.8-171.8 -62.4 147.5 1.2 -22.3 -17.0 51 93 A W E - C 0 123B 80 72,-0.2 -35,-2.3 80,-0.1 2,-0.3 -0.966 21.0-162.9-144.5 162.4 4.9 -22.5 -16.5 52 94 A W E -BC 15 122B 0 70,-2.1 70,-2.7 -2,-0.3 2,-0.3 -0.981 14.8-175.1-142.2 145.5 8.2 -20.5 -16.9 53 95 A Q E -BC 14 121B 18 -39,-2.9 -39,-2.7 -2,-0.3 2,-0.4 -0.993 15.2-156.2-145.1 145.2 11.8 -21.7 -16.9 54 96 A V E -BC 13 120B 0 66,-2.4 66,-1.9 -2,-0.3 2,-0.7 -0.984 14.5-143.9-118.9 141.1 15.3 -20.5 -17.0 55 97 A D E -BC 12 119B 15 -43,-2.7 -43,-0.6 -2,-0.4 64,-0.2 -0.872 3.7-160.2 -99.7 110.2 18.3 -22.5 -18.2 56 98 A L E - 0 0 2 62,-3.2 63,-0.1 -2,-0.7 -1,-0.1 0.613 35.2-125.7 -65.5 -12.5 21.4 -21.7 -16.2 57 99 A G E S+ 0 0 46 61,-0.3 2,-0.3 -45,-0.1 -1,-0.1 0.142 82.9 26.8 93.1 -16.4 23.5 -23.1 -19.0 58 100 A K E S- 0 0 122 60,-0.3 2,-0.4 59,-0.1 -2,-0.1 -0.916 100.7 -78.2-165.6 162.0 25.4 -25.6 -16.8 59 101 A T E + 0 0 70 -2,-0.3 2,-0.3 57,-0.1 59,-0.3 -0.700 53.8 179.6 -75.0 128.3 24.6 -27.5 -13.6 60 102 A E E - C 0 117B 20 57,-2.9 57,-2.5 -2,-0.4 2,-1.0 -0.910 37.6-108.6-126.0 161.8 25.1 -25.2 -10.6 61 103 A N E - C 0 116B 44 -2,-0.3 80,-2.4 55,-0.2 2,-0.5 -0.727 42.8-155.6 -94.4 103.0 24.7 -25.8 -6.9 62 104 A V E +DC 140 115B 0 53,-3.1 53,-2.1 -2,-1.0 78,-0.2 -0.684 29.4 161.7 -86.9 128.1 21.5 -23.8 -6.2 63 105 A G E + 0 0 3 76,-2.6 49,-1.9 -2,-0.5 2,-0.3 0.618 65.0 21.1-113.0 -22.4 20.9 -22.5 -2.8 64 106 A K E -DC 139 111B 32 75,-1.8 75,-2.7 47,-0.2 2,-0.4 -0.983 48.7-171.0-149.3 137.4 18.2 -19.7 -3.2 65 107 A V E -DC 138 110B 0 45,-2.6 45,-3.1 -2,-0.3 2,-0.5 -0.999 14.8-161.3-124.6 131.3 15.6 -18.8 -5.8 66 108 A K E -DC 137 109B 29 71,-2.9 71,-2.8 -2,-0.4 2,-0.5 -0.957 1.6-160.7-115.3 124.6 13.8 -15.4 -5.3 67 109 A L E -DC 136 108B 0 41,-2.8 41,-2.4 -2,-0.5 2,-0.5 -0.899 1.8-160.0-103.7 141.0 10.6 -14.7 -7.1 68 110 A Y E -DC 135 107B 26 67,-2.8 66,-2.6 -2,-0.5 67,-1.3 -0.956 19.2-142.2-120.4 118.1 9.3 -11.1 -7.6 69 111 A N E -D 133 0B 14 37,-2.5 2,-0.2 -2,-0.5 64,-0.2 -0.336 23.0 -92.9 -75.9 159.3 5.6 -10.9 -8.3 70 112 A R - 0 0 31 62,-0.7 -35,-0.2 6,-0.1 9,-0.1 -0.531 38.6-170.5 -61.9 143.7 3.6 -8.7 -10.6 71 113 A G + 0 0 48 -37,-2.9 3,-0.3 -2,-0.2 -36,-0.2 0.565 50.5 70.3-117.7 -18.6 2.5 -5.6 -8.6 72 114 A D S > S+ 0 0 39 -38,-0.9 3,-0.8 1,-0.2 -2,-0.0 -0.543 82.5 35.7 -98.7 167.3 -0.0 -3.6 -10.7 73 115 A G T 3 S- 0 0 53 1,-0.2 -1,-0.2 -2,-0.2 -38,-0.0 0.545 105.7 -91.5 80.3 3.9 -3.6 -4.2 -11.8 74 116 A N T 3 S+ 0 0 164 -3,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.868 100.9 111.6 56.6 38.9 -4.9 -6.1 -8.6 75 117 A V X + 0 0 26 -3,-0.8 3,-1.8 1,-0.1 4,-0.2 0.139 27.4 116.0-131.6 20.5 -3.9 -9.4 -10.1 76 118 A A G > + 0 0 40 1,-0.3 3,-2.0 2,-0.2 -6,-0.1 0.839 65.5 73.7 -61.3 -28.5 -1.0 -10.4 -7.8 77 119 A N G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.772 71.8 81.2 -54.6 -31.4 -3.1 -13.3 -6.7 78 120 A R G < S+ 0 0 64 -3,-1.8 2,-1.6 1,-0.2 -1,-0.3 0.761 78.3 73.7 -54.8 -23.3 -2.5 -15.2 -9.9 79 121 A L S < S+ 0 0 5 -3,-2.0 23,-0.4 -4,-0.2 2,-0.3 -0.671 79.0 107.8 -88.3 81.3 0.9 -16.2 -8.4 80 122 A S + 0 0 36 -2,-1.6 45,-0.4 1,-0.2 21,-0.3 -0.968 61.6 27.5-153.1 155.8 -0.7 -18.7 -6.0 81 123 A N S S+ 0 0 57 19,-2.0 44,-2.6 -2,-0.3 2,-0.3 0.966 88.7 133.8 49.7 65.4 -0.8 -22.5 -5.7 82 124 A F E -EF 99 124B 0 17,-2.0 17,-3.1 42,-0.2 2,-0.4 -0.924 49.6-129.1-140.0 164.9 2.4 -23.1 -7.6 83 125 A D E -EF 98 123B 16 40,-2.8 40,-2.8 -2,-0.3 2,-0.5 -0.864 6.5-148.8-111.7 146.4 5.6 -25.2 -7.4 84 126 A V E -EF 97 122B 0 13,-2.7 13,-2.0 -2,-0.4 2,-0.4 -0.979 30.4-172.2-108.0 123.3 9.2 -24.0 -7.7 85 127 A V E -EF 96 121B 0 36,-3.1 36,-2.8 -2,-0.5 2,-0.4 -0.876 20.5-154.2-125.8 139.0 11.1 -26.9 -9.3 86 128 A L E -EF 95 120B 0 9,-2.6 8,-3.2 -2,-0.4 9,-1.5 -0.960 17.4-168.5-107.9 132.2 14.8 -27.6 -9.9 87 129 A L E -EF 93 119B 13 32,-2.4 31,-2.4 -2,-0.4 32,-2.1 -0.947 15.8-127.8-120.3 151.0 15.7 -29.9 -12.8 88 130 A N > - 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