==== 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 4GWI . COMPND 2 MOLECULE: PLATELET AGGREGATION FACTOR SM-HPAF; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MITIS; . AUTHOR S.C.FEIL . 144 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 63.9 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 34.7 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 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 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 10.4 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 41 A N 0 0 100 0, 0.0 114,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 52.3 19.6 -24.1 3.4 2 42 A R - 0 0 198 1,-0.4 112,-0.1 112,-0.2 2,-0.0 -0.019 360.0 -5.1-122.4-133.6 22.5 -21.9 4.8 3 43 A P - 0 0 75 0, 0.0 141,-2.6 0, 0.0 -1,-0.4 -0.327 60.4-163.2 -67.4 148.5 24.6 -19.2 3.2 4 44 A V B -A 143 0A 42 139,-0.3 139,-0.2 -3,-0.1 60,-0.1 -0.919 23.1-104.9-125.9 155.8 24.3 -18.3 -0.5 5 45 A E - 0 0 74 137,-2.7 139,-0.1 -2,-0.3 60,-0.1 -0.209 24.2-129.5 -70.3 162.8 26.5 -16.4 -2.9 6 46 A T S S+ 0 0 139 135,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.661 74.6 101.5 -92.3 -17.4 25.5 -12.9 -4.0 7 47 A E - 0 0 107 1,-0.1 2,-1.2 135,-0.1 135,-0.5 -0.581 69.0-136.7 -74.5 125.7 25.8 -13.3 -7.8 8 48 A N > - 0 0 30 -2,-0.4 3,-0.9 1,-0.2 133,-0.2 -0.643 21.4-173.9 -80.0 103.8 22.4 -13.7 -9.6 9 49 A I T 3 S+ 0 0 3 131,-2.3 -1,-0.2 -2,-1.2 132,-0.1 0.600 73.8 67.3 -81.9 -2.3 23.3 -16.5 -12.0 10 50 A A T > S+ 0 0 0 130,-0.5 3,-2.1 2,-0.1 -1,-0.2 0.724 71.8 116.7 -85.7 -18.4 19.9 -16.4 -13.8 11 51 A R T < S- 0 0 125 -3,-0.9 20,-0.2 1,-0.3 3,-0.1 -0.226 88.8 -2.0 -55.9 126.3 20.5 -12.9 -15.3 12 52 A G T 3 S+ 0 0 56 18,-2.9 -1,-0.3 1,-0.2 19,-0.1 0.510 98.3 136.3 73.9 8.9 20.6 -12.9 -19.0 13 53 A K < - 0 0 69 -3,-2.1 2,-0.2 1,-0.1 -1,-0.2 -0.287 67.2 -80.6 -82.6 167.8 20.2 -16.7 -19.3 14 54 A Q E -B 57 0B 142 43,-0.7 43,-2.8 -3,-0.1 2,-0.3 -0.494 55.1-177.6 -67.7 131.7 17.9 -18.4 -21.9 15 55 A A E +B 56 0B 17 41,-0.2 2,-0.3 -2,-0.2 41,-0.2 -0.951 8.7 174.4-130.9 155.3 14.3 -18.4 -20.6 16 56 A S E -B 55 0B 49 39,-2.7 39,-3.0 -2,-0.3 2,-0.3 -0.951 7.0-166.1-152.9 166.5 11.2 -19.9 -22.0 17 57 A Q E -B 54 0B 20 -2,-0.3 37,-0.2 37,-0.3 3,-0.1 -0.970 39.7 -93.3-155.5 169.3 7.5 -20.4 -20.9 18 58 A S S S- 0 0 35 35,-2.6 2,-0.3 -2,-0.3 36,-0.1 0.797 99.1 -25.6 -62.0 -32.6 4.4 -22.3 -21.9 19 59 A S - 0 0 21 34,-0.3 2,-0.4 28,-0.1 -1,-0.1 -0.931 63.5-122.1-164.9 173.6 3.0 -19.6 -24.1 20 60 A T + 0 0 77 -2,-0.3 2,-0.3 26,-0.2 26,-0.3 -0.989 28.0 168.9-130.4 133.4 3.3 -15.7 -24.4 21 61 A A > + 0 0 20 24,-2.1 3,-2.5 -2,-0.4 -2,-0.0 -0.943 62.2 19.2-135.7 160.2 0.5 -13.1 -24.3 22 62 A H T 3 S- 0 0 142 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.752 123.6 -70.1 53.7 29.7 0.3 -9.4 -24.1 23 63 A G T 3 S+ 0 0 49 1,-0.2 2,-2.1 22,-0.1 -1,-0.3 0.595 89.4 150.5 71.5 10.9 4.0 -9.1 -25.3 24 64 A G < - 0 0 0 -3,-2.5 21,-2.2 21,-0.3 -1,-0.2 -0.378 31.1-162.4 -87.4 69.3 5.2 -10.6 -21.9 25 65 A A > - 0 0 33 -2,-2.1 3,-2.2 19,-0.2 4,-0.2 -0.091 24.2-125.4 -52.9 139.2 8.4 -12.3 -23.1 26 66 A A G > S+ 0 0 10 1,-0.3 3,-1.7 2,-0.2 -10,-0.2 0.812 106.9 68.3 -58.5 -28.4 9.9 -15.0 -20.9 27 67 A T G > S+ 0 0 78 1,-0.3 3,-1.8 -12,-0.2 -1,-0.3 0.691 79.8 80.3 -71.2 -9.9 13.2 -13.1 -20.9 28 68 A R G X S+ 0 0 49 -3,-2.2 3,-0.6 1,-0.3 5,-0.3 0.728 85.5 59.2 -66.7 -18.3 11.6 -10.3 -18.9 29 69 A A G < S+ 0 0 0 -3,-1.7 109,-3.0 -4,-0.2 -1,-0.3 0.585 111.9 38.6 -88.5 -1.8 12.1 -12.3 -15.7 30 70 A V G < S+ 0 0 3 -3,-1.8 -18,-2.9 107,-0.2 -1,-0.2 0.034 84.0 103.6-129.2 31.4 15.8 -12.5 -16.2 31 71 A D S < S- 0 0 52 -3,-0.6 -2,-0.1 2,-0.2 -1,-0.1 0.379 94.2-108.5 -96.2 6.7 16.5 -9.0 -17.5 32 72 A G S S+ 0 0 46 1,-0.2 2,-0.4 -3,-0.1 105,-0.1 0.645 86.8 108.7 79.0 23.0 18.0 -7.6 -14.2 33 73 A N - 0 0 70 -5,-0.3 -2,-0.2 103,-0.2 -1,-0.2 -0.959 44.2-174.0-136.5 111.9 14.9 -5.4 -13.5 34 74 A V + 0 0 62 -2,-0.4 103,-0.1 -3,-0.1 102,-0.1 0.369 36.1 140.2 -84.5 1.4 12.5 -6.3 -10.6 35 75 A D - 0 0 56 1,-0.2 7,-0.2 101,-0.1 -2,-0.1 -0.318 38.3-160.4 -49.7 119.6 10.0 -3.5 -11.5 36 76 A S + 0 0 43 36,-0.1 37,-2.9 5,-0.1 38,-1.0 0.365 54.6 106.5 -92.0 4.4 6.7 -5.2 -11.0 37 77 A D > > - 0 0 56 36,-0.2 3,-2.5 35,-0.2 5,-0.6 -0.730 61.9-148.1 -89.5 119.1 4.5 -2.9 -13.0 38 78 A Y G > 5S+ 0 0 32 -2,-0.7 3,-1.8 1,-0.3 5,-0.3 0.838 95.6 63.7 -54.1 -33.9 3.5 -4.6 -16.2 39 79 A G G 3 5S+ 0 0 46 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.632 91.8 64.6 -69.6 -12.0 3.3 -1.3 -18.0 40 80 A H G < 5S- 0 0 101 -3,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.363 108.4-124.7 -92.7 5.0 7.1 -0.9 -17.5 41 81 A H T < 5S+ 0 0 132 -3,-1.8 -3,-0.1 -4,-0.2 -2,-0.1 0.648 82.9 103.9 74.5 16.9 7.8 -3.9 -19.7 42 82 A S < + 0 0 1 -5,-0.6 2,-0.4 -7,-0.2 -11,-0.2 0.118 59.5 87.4-118.6 23.0 9.8 -6.1 -17.3 43 83 A V - 0 0 0 -5,-0.3 93,-0.2 -6,-0.1 -14,-0.1 -0.953 68.8-134.5-124.4 139.3 7.1 -8.6 -16.3 44 84 A T - 0 0 0 91,-2.5 2,-0.3 -2,-0.4 -19,-0.2 -0.305 18.2-168.8 -84.0 172.6 6.3 -11.8 -18.2 45 85 A H - 0 0 7 -21,-2.2 -24,-2.1 89,-0.2 -21,-0.3 -0.855 5.4-167.4-163.5 125.1 2.8 -13.1 -19.2 46 86 A T - 0 0 0 87,-1.0 -26,-0.2 -2,-0.3 -25,-0.1 -0.488 41.1 -82.1 -96.2 178.1 1.6 -16.4 -20.5 47 87 A N - 0 0 73 -2,-0.2 2,-0.7 1,-0.1 86,-0.3 -0.320 53.2 -92.9 -64.4 164.5 -1.8 -17.1 -22.0 48 88 A F S S+ 0 0 99 84,-0.1 2,-0.3 82,-0.1 -1,-0.1 -0.727 80.5 132.3 -72.4 115.8 -4.6 -17.9 -19.6 49 89 A E B > -G 131 0C 52 82,-0.8 82,-2.4 -2,-0.7 3,-0.6 -0.958 60.8 -77.7-159.3 169.9 -4.2 -21.6 -19.7 50 90 A D T 3 S- 0 0 86 -2,-0.3 79,-0.2 1,-0.2 77,-0.1 -0.672 106.3 -1.9 -82.3 137.3 -4.0 -24.7 -17.5 51 91 A N T 3 S- 0 0 96 77,-2.0 -1,-0.2 -2,-0.4 78,-0.1 0.880 82.3-167.8 55.8 48.5 -0.7 -25.4 -15.7 52 92 A A < - 0 0 0 -3,-0.6 74,-3.2 79,-0.4 2,-0.3 -0.282 9.3-175.5 -63.0 152.6 1.2 -22.4 -17.1 53 93 A W E - C 0 125B 81 72,-0.2 -35,-2.6 80,-0.1 2,-0.3 -0.976 21.9-159.6-149.5 163.6 4.9 -22.5 -16.5 54 94 A W E -BC 17 124B 0 70,-2.1 70,-2.7 -2,-0.3 2,-0.3 -0.976 15.6-173.1-140.8 147.9 8.2 -20.5 -17.0 55 95 A Q E -BC 16 123B 20 -39,-3.0 -39,-2.7 -2,-0.3 2,-0.4 -0.997 14.7-155.4-144.0 145.6 11.8 -21.9 -17.0 56 96 A V E -BC 15 122B 0 66,-2.6 66,-2.2 -2,-0.3 2,-0.7 -0.983 14.1-144.1-118.6 141.3 15.3 -20.6 -17.1 57 97 A D E -BC 14 121B 14 -43,-2.8 -43,-0.7 -2,-0.4 64,-0.2 -0.896 4.2-160.9 -96.2 113.0 18.3 -22.7 -18.4 58 98 A L E - 0 0 3 62,-3.1 63,-0.1 -2,-0.7 -1,-0.1 0.586 35.2-126.8 -70.5 -13.8 21.3 -21.8 -16.2 59 99 A G E S+ 0 0 45 61,-0.3 2,-0.3 -45,-0.1 -1,-0.1 0.141 82.0 29.7 90.9 -12.5 23.4 -23.3 -19.1 60 100 A K E S- 0 0 118 60,-0.2 2,-0.4 59,-0.1 -2,-0.1 -0.917 100.7 -79.8-160.7 165.6 25.4 -25.7 -16.9 61 101 A T E - 0 0 60 -2,-0.3 2,-0.3 57,-0.1 59,-0.3 -0.671 53.1-179.2 -78.1 127.5 24.6 -27.6 -13.7 62 102 A E E - C 0 119B 20 57,-2.9 57,-2.6 -2,-0.4 2,-1.0 -0.919 36.8-109.9-123.3 159.5 25.1 -25.4 -10.7 63 103 A N E - C 0 118B 47 -2,-0.3 80,-2.3 55,-0.2 2,-0.4 -0.738 43.7-156.4 -91.4 102.4 24.7 -25.9 -6.9 64 104 A V E +DC 142 117B 0 53,-3.2 53,-2.1 -2,-1.0 78,-0.2 -0.675 29.7 162.0 -90.9 130.5 21.6 -23.9 -6.2 65 105 A G E + 0 0 2 76,-2.5 49,-2.0 -2,-0.4 2,-0.3 0.658 64.6 21.7-113.8 -23.2 20.8 -22.6 -2.8 66 106 A K E -DC 141 113B 32 75,-1.8 75,-2.9 47,-0.2 2,-0.4 -0.988 47.7-171.3-150.7 137.5 18.2 -19.9 -3.3 67 107 A V E -DC 140 112B 0 45,-2.7 45,-3.2 -2,-0.3 2,-0.5 -1.000 14.4-162.8-125.7 128.7 15.6 -18.9 -5.9 68 108 A K E -DC 139 111B 28 71,-3.0 71,-2.6 -2,-0.4 2,-0.4 -0.970 2.1-161.8-116.8 126.1 13.9 -15.5 -5.4 69 109 A L E -DC 138 110B 0 41,-2.5 41,-2.3 -2,-0.5 2,-0.5 -0.911 2.6-158.8-105.2 140.9 10.6 -14.8 -7.2 70 110 A Y E -DC 137 109B 29 67,-2.8 66,-2.6 -2,-0.4 67,-1.3 -0.962 18.7-142.0-120.0 121.2 9.3 -11.2 -7.7 71 111 A N E -D 135 0B 12 37,-2.5 64,-0.2 -2,-0.5 2,-0.2 -0.343 23.5 -93.0 -79.3 160.2 5.6 -11.0 -8.3 72 112 A R - 0 0 32 62,-0.7 -35,-0.2 6,-0.1 9,-0.1 -0.517 38.7-170.2 -63.0 145.5 3.6 -8.7 -10.6 73 113 A G + 0 0 49 -37,-2.9 3,-0.3 -2,-0.2 -36,-0.2 0.591 50.2 74.3-116.8 -19.5 2.5 -5.7 -8.6 74 114 A D S > S+ 0 0 42 -38,-1.0 3,-0.9 1,-0.2 -2,-0.0 -0.491 83.2 32.0 -96.2 164.9 0.0 -3.6 -10.7 75 115 A G T 3 S- 0 0 54 1,-0.2 -1,-0.2 -2,-0.2 -38,-0.0 0.539 106.3 -90.9 79.5 3.7 -3.7 -4.3 -11.7 76 116 A N T 3 S+ 0 0 167 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.874 100.9 112.4 55.4 39.2 -4.8 -6.2 -8.5 77 117 A V X + 0 0 27 -3,-0.9 3,-2.0 1,-0.1 4,-0.2 0.113 27.9 115.1-125.2 18.2 -3.9 -9.5 -10.1 78 118 A A G > + 0 0 37 1,-0.3 3,-1.9 2,-0.2 -6,-0.1 0.800 65.4 72.8 -61.6 -28.8 -0.9 -10.5 -7.9 79 119 A N G 3 S+ 0 0 119 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.575 72.1 82.9 -66.3 -6.1 -3.0 -13.5 -6.7 80 120 A R G < S+ 0 0 63 -3,-2.0 2,-1.6 1,-0.2 -1,-0.3 0.777 78.0 72.6 -65.5 -25.6 -2.4 -15.2 -10.0 81 121 A L S < S+ 0 0 5 -3,-1.9 23,-0.3 -4,-0.2 2,-0.3 -0.676 79.8 108.8 -89.1 81.5 0.9 -16.3 -8.5 82 122 A S + 0 0 33 -2,-1.6 45,-0.4 1,-0.2 46,-0.3 -0.973 60.6 27.5-152.3 155.7 -0.7 -18.8 -6.1 83 123 A N S S+ 0 0 56 19,-1.7 44,-2.6 18,-0.3 2,-0.3 0.974 88.8 135.0 48.8 68.9 -0.8 -22.6 -5.8 84 124 A F E -EF 101 126B 0 17,-2.0 17,-2.9 42,-0.2 2,-0.3 -0.935 48.6-131.9-141.7 161.6 2.4 -23.2 -7.6 85 125 A D E -EF 100 125B 12 40,-2.7 40,-2.8 -2,-0.3 2,-0.5 -0.859 7.1-147.7-113.2 149.5 5.6 -25.2 -7.5 86 126 A V E -EF 99 124B 0 13,-2.6 13,-2.2 -2,-0.3 2,-0.4 -0.991 29.5-169.7-109.3 127.4 9.3 -24.2 -7.9 87 127 A V E -EF 98 123B 0 36,-2.9 36,-2.9 -2,-0.5 2,-0.5 -0.905 19.6-154.6-127.3 138.1 11.1 -27.0 -9.5 88 128 A L E -EF 97 122B 0 9,-2.5 8,-2.9 -2,-0.4 9,-1.4 -0.965 17.5-167.7-108.8 135.0 14.8 -27.7 -10.0 89 129 A L E -EF 95 121B 14 32,-2.4 31,-2.6 -2,-0.5 32,-2.2 -0.927 14.8-130.0-121.9 145.3 15.7 -30.0 -12.9 90 130 A N > - 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