==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HEPARIN-BINDING PROTEIN 21-FEB-12 4AK1 . COMPND 2 MOLECULE: BT_4661; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR E.C.LOWE,A.BASLE,M.CZJZEK,S.THOMAS,H.MURRAY,S.J.FIRBANK,D.N. . 600 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32300.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 26.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 52 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 1 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 . 3 1 0 3 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 PARALLEL BRIDGES PER LADDER . 5 8 5 2 0 1 2 0 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 3 3 2 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 13 A F 0 0 66 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 125.4 89.5 -74.5 35.0 2 14 A T E +A 25 0A 67 23,-2.2 23,-2.2 2,-0.0 2,-0.3 -0.949 360.0 178.0-132.6 154.7 86.2 -76.0 36.1 3 15 A I E +A 24 0A 20 -2,-0.3 2,-0.3 21,-0.2 21,-0.2 -0.993 9.3 169.0-157.0 143.8 85.3 -78.0 39.2 4 16 A Y E -A 23 0A 136 19,-2.1 19,-3.0 -2,-0.3 2,-0.3 -0.962 25.5-123.6-149.2 166.0 82.4 -79.7 41.0 5 17 A Y E -A 22 0A 26 84,-0.4 2,-0.3 -2,-0.3 -2,-0.0 -0.857 18.6-176.3-114.4 143.1 81.9 -82.0 44.0 6 18 A T E +A 21 0A 74 15,-2.4 15,-2.6 -2,-0.3 2,-0.3 -0.914 33.1 87.3-127.1 161.9 80.3 -85.4 44.4 7 19 A G E S-A 20 0A 56 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.989 70.9 -10.3 150.1-157.9 79.8 -87.5 47.6 8 20 A M - 0 0 49 11,-2.4 85,-0.1 -2,-0.3 3,-0.1 -0.635 38.8-174.4 -84.0 124.0 77.5 -88.2 50.6 9 21 A T S S+ 0 0 83 -2,-0.4 84,-2.7 1,-0.2 2,-0.5 0.958 72.2 50.1 -77.4 -54.9 74.6 -85.8 51.2 10 22 A D E +d 93 0B 29 82,-0.2 2,-0.3 109,-0.1 84,-0.2 -0.757 68.5 156.8 -93.6 124.5 73.3 -87.3 54.4 11 23 A I E -d 94 0B 2 82,-2.5 84,-2.9 -2,-0.5 138,-0.0 -0.860 26.5-142.0-131.5 171.2 75.6 -87.9 57.3 12 24 A G > - 0 0 0 -2,-0.3 3,-1.5 82,-0.2 84,-0.1 -0.721 41.2 -90.6-121.2 178.9 75.6 -88.2 61.1 13 25 A P T 3 S+ 0 0 43 0, 0.0 83,-0.0 0, 0.0 81,-0.0 0.626 119.7 62.2 -67.6 -13.4 78.0 -87.1 63.9 14 26 A S T 3 S+ 0 0 65 2,-0.0 2,-0.3 0, 0.0 48,-0.1 0.346 71.6 129.8 -93.0 5.9 80.0 -90.4 63.8 15 27 A M < + 0 0 14 -3,-1.5 45,-0.3 1,-0.1 4,-0.1 -0.452 21.1 163.3 -68.5 120.1 81.1 -89.9 60.1 16 28 A T + 0 0 132 -2,-0.3 -1,-0.1 43,-0.1 3,-0.1 0.493 47.3 83.9-116.2 -6.1 84.9 -90.4 59.8 17 29 A G S S- 0 0 17 1,-0.1 43,-0.5 42,-0.1 2,-0.3 -0.247 95.2 -68.6 -88.1-179.6 85.2 -91.0 56.0 18 30 A V - 0 0 67 1,-0.2 41,-0.2 41,-0.1 -10,-0.2 -0.546 42.7-168.7 -68.3 128.7 85.5 -88.5 53.1 19 31 A I + 0 0 2 39,-3.7 -11,-2.4 1,-0.3 2,-0.3 0.828 66.6 3.8 -89.0 -39.9 82.2 -86.8 52.7 20 32 A S E -AB 7 58A 10 38,-1.0 38,-2.7 -13,-0.2 -1,-0.3 -0.989 61.1-166.4-155.5 140.2 82.8 -85.1 49.3 21 33 A S E -A 6 0A 34 -15,-2.6 -15,-2.4 -2,-0.3 2,-0.2 -0.949 22.4-114.0-131.9 146.3 85.5 -85.0 46.7 22 34 A P E -A 5 0A 27 0, 0.0 2,-0.4 0, 0.0 -17,-0.2 -0.519 13.4-162.8 -83.2 146.9 86.2 -82.7 43.6 23 35 A T E +A 4 0A 63 -19,-3.0 -19,-2.1 -2,-0.2 2,-0.3 -0.998 26.2 179.5-119.4 129.1 86.2 -83.6 39.9 24 36 A Y E -A 3 0A 98 -2,-0.4 2,-0.4 -21,-0.2 -21,-0.2 -0.897 25.9-153.4-133.6 157.0 88.0 -80.9 37.9 25 37 A K E +A 2 0A 53 -23,-2.2 -23,-2.2 -2,-0.3 2,-0.2 -0.973 67.1 22.6-126.0 143.7 89.0 -80.1 34.3 26 38 A G S S+ 0 0 58 -2,-0.4 -2,-0.1 -25,-0.2 54,-0.0 -0.680 108.6 10.4 99.1-158.0 92.1 -77.9 33.5 27 39 A G S S- 0 0 32 -2,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.306 88.7 -95.6 -64.7 137.5 95.2 -77.4 35.7 28 40 A T - 0 0 96 1,-0.1 52,-0.4 51,-0.1 -1,-0.1 -0.302 47.3-127.3 -55.5 119.8 95.5 -79.6 38.8 29 41 A P + 0 0 9 0, 0.0 2,-0.3 0, 0.0 50,-0.2 -0.304 34.8 166.6 -74.2 158.0 94.1 -77.6 41.7 30 42 A Y E +E 78 0B 77 48,-1.9 48,-3.1 1,-0.1 24,-0.2 -0.928 46.7 51.1-158.9 172.4 95.9 -77.0 45.0 31 43 A D E - 0 0 96 22,-0.4 23,-0.2 -2,-0.3 -1,-0.1 0.915 69.7-171.7 51.0 51.1 95.8 -74.8 48.2 32 44 A F E + 0 0 10 21,-2.4 2,-0.3 20,-0.2 45,-0.2 -0.437 8.1 174.7 -66.9 144.5 92.1 -75.7 48.9 33 45 A A E -E 76 0B 43 43,-2.3 43,-2.7 -2,-0.1 2,-0.7 -0.984 34.6-127.9-148.2 146.8 90.3 -73.8 51.7 34 46 A I E -E 75 0B 39 -2,-0.3 41,-0.2 41,-0.2 3,-0.1 -0.910 27.0-178.7 -91.5 117.9 86.8 -73.6 53.1 35 47 A T E + 0 0 56 39,-2.0 2,-0.3 -2,-0.7 40,-0.2 0.696 63.0 9.3 -93.9 -21.2 86.1 -69.9 53.0 36 48 A R E -E 74 0B 109 38,-1.1 38,-3.0 2,-0.0 2,-0.4 -0.976 52.2-165.7-157.5 144.2 82.6 -70.1 54.5 37 49 A I E -E 73 0B 17 7,-0.3 7,-2.4 -2,-0.3 2,-0.3 -0.999 13.9-172.7-126.7 129.6 80.1 -72.5 56.2 38 50 A T E -EF 72 43B 15 34,-2.6 34,-2.3 -2,-0.4 2,-0.4 -0.895 9.1-158.3-115.3 152.4 76.4 -71.7 56.6 39 51 A L E > S-EF 71 42B 29 3,-3.0 3,-1.4 -2,-0.3 32,-0.2 -0.982 76.6 -20.2-128.5 118.8 73.8 -73.7 58.5 40 52 A D T 3 S- 0 0 135 30,-2.1 31,-0.1 -2,-0.4 -1,-0.1 0.901 129.7 -47.2 53.7 46.2 70.1 -73.2 57.6 41 53 A G T 3 S+ 0 0 67 29,-0.3 -1,-0.3 1,-0.2 30,-0.1 0.543 121.8 94.2 76.6 8.8 70.8 -69.8 55.9 42 54 A E E < S-F 39 0B 130 -3,-1.4 -3,-3.0 1,-0.0 -1,-0.2 -0.941 84.1 -88.1-130.0 155.0 73.0 -68.3 58.7 43 55 A P E -F 38 0B 109 0, 0.0 2,-0.6 0, 0.0 -5,-0.2 -0.295 33.7-145.5 -61.8 142.7 76.7 -68.2 59.3 44 56 A F - 0 0 31 -7,-2.4 -7,-0.3 1,-0.1 4,-0.1 -0.960 9.3-164.1-113.0 114.5 78.2 -71.2 61.2 45 57 A S + 0 0 115 -2,-0.6 -1,-0.1 2,-0.1 2,-0.0 0.881 58.4 76.1 -65.2 -49.2 81.1 -70.1 63.5 46 58 A D S S- 0 0 73 1,-0.1 2,-1.9 19,-0.0 3,-0.3 -0.266 85.2-112.3 -78.0 153.3 82.9 -73.4 64.3 47 59 A S + 0 0 93 1,-0.2 17,-0.1 -2,-0.0 -1,-0.1 -0.522 54.3 153.7 -81.8 72.3 85.3 -75.3 62.1 48 60 A I + 0 0 0 -2,-1.9 13,-3.3 -4,-0.1 2,-0.3 0.869 60.4 41.8 -72.1 -39.7 82.9 -78.4 61.7 49 61 A F E S-C 60 0A 6 -3,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.851 70.0-156.8-111.1 147.1 84.3 -79.6 58.3 50 62 A A E -C 59 0A 28 9,-2.7 9,-2.1 -2,-0.3 2,-0.4 -0.841 1.9-153.7-117.4 157.1 87.9 -79.8 57.1 51 63 A I E -C 58 0A 30 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.997 22.7-121.6-131.4 133.6 89.3 -79.8 53.6 52 64 A D > - 0 0 78 5,-2.1 4,-2.8 -2,-0.4 -20,-0.2 -0.676 20.6-143.3 -75.9 123.2 92.6 -81.4 52.6 53 65 A S T 4 S+ 0 0 62 -2,-0.5 -21,-2.4 1,-0.2 -22,-0.4 0.777 96.1 39.6 -63.5 -28.1 94.6 -78.5 51.1 54 66 A E T 4 S+ 0 0 159 -24,-0.2 -1,-0.2 -23,-0.2 -2,-0.0 0.887 128.2 26.1 -87.1 -43.6 96.2 -80.8 48.5 55 67 A T T 4 S- 0 0 65 2,-0.1 -2,-0.2 -23,-0.1 3,-0.1 0.685 89.1-133.9 -97.9 -23.4 93.3 -83.0 47.4 56 68 A G < + 0 0 0 -4,-2.8 2,-0.2 1,-0.3 -3,-0.1 0.535 51.9 150.0 78.1 7.8 90.2 -80.8 48.2 57 69 A K - 0 0 95 -36,-0.1 -5,-2.1 -5,-0.1 2,-0.4 -0.507 38.7-134.9 -78.0 143.9 88.5 -83.7 49.9 58 70 A I E +BC 20 51A 0 -38,-2.7 -39,-3.7 -7,-0.2 -38,-1.0 -0.840 26.6 169.8-113.0 130.3 86.1 -82.9 52.8 59 71 A T E - C 0 50A 47 -9,-2.1 -9,-2.7 -2,-0.4 2,-0.5 -0.839 35.2-101.8-130.9 166.5 85.8 -84.6 56.2 60 72 A L E - C 0 49A 17 -43,-0.5 2,-0.6 -45,-0.3 -11,-0.2 -0.787 29.2-128.6 -91.8 128.9 84.0 -84.0 59.5 61 73 A N > - 0 0 61 -13,-3.3 3,-1.2 -2,-0.5 -45,-0.0 -0.683 17.4-149.0 -75.6 119.8 86.1 -82.6 62.4 62 74 A S T 3 S+ 0 0 119 -2,-0.6 -1,-0.1 1,-0.2 -14,-0.1 0.659 90.1 53.5 -69.1 -20.2 85.4 -85.0 65.3 63 75 A T T 3 S+ 0 0 116 2,-0.1 -1,-0.2 -15,-0.0 -15,-0.1 0.590 89.5 104.5 -89.8 -8.9 85.7 -82.5 68.2 64 76 A S S < S- 0 0 22 -3,-1.2 2,-0.1 -16,-0.2 -16,-0.0 -0.328 78.9-107.8 -74.2 147.4 83.1 -80.0 66.7 65 77 A N - 0 0 113 1,-0.1 -1,-0.1 -2,-0.1 -4,-0.1 -0.483 31.0-156.0 -61.9 145.5 79.6 -79.5 67.8 66 78 A T - 0 0 43 -2,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.555 12.2-176.7-132.0 68.5 77.2 -81.0 65.2 67 79 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 27,-0.1 -0.293 36.8 -96.3 -63.6 156.3 73.7 -79.3 65.3 68 80 A V S S+ 0 0 87 25,-0.1 2,-0.3 -29,-0.0 27,-0.2 -0.547 74.6 66.9 -82.7 132.1 71.1 -80.7 62.9 69 81 A G E S- G 0 94B 17 25,-1.9 25,-2.5 -2,-0.3 2,-0.6 -0.872 82.8 -45.8 152.6-177.2 70.4 -79.2 59.5 70 82 A L E - G 0 93B 63 -2,-0.3 -30,-2.1 23,-0.2 2,-0.3 -0.721 48.4-160.3 -87.4 119.2 71.7 -78.5 56.0 71 83 A Y E -EG 39 92B 0 21,-3.7 21,-2.7 -2,-0.6 2,-0.4 -0.772 1.8-158.8 -96.8 139.6 75.3 -77.1 55.8 72 84 A K E -EG 38 91B 69 -34,-2.3 -34,-2.6 -2,-0.3 2,-0.4 -0.992 7.7-159.1-121.6 129.2 76.6 -75.2 52.8 73 85 A L E -EG 37 90B 0 17,-3.3 17,-1.7 -2,-0.4 16,-1.1 -0.896 5.6-153.8-111.2 130.6 80.3 -75.0 52.2 74 86 A S E -E 36 0B 2 -38,-3.0 -39,-2.0 -2,-0.4 -38,-1.1 -0.888 19.6-161.3-101.4 137.6 82.1 -72.4 50.1 75 87 A V E -EG 34 86B 2 11,-2.0 11,-2.8 -2,-0.4 2,-0.3 -0.952 12.8-170.7-127.1 136.1 85.4 -73.5 48.7 76 88 A A E +EG 33 85B 4 -43,-2.7 -43,-2.3 -2,-0.4 2,-0.3 -0.912 16.2 155.1-117.3 153.0 88.5 -71.7 47.2 77 89 A C E - G 0 84B 0 7,-2.2 7,-2.9 -2,-0.3 2,-0.3 -0.950 33.2-113.6-158.3 174.2 91.5 -73.2 45.5 78 90 A Y E -EG 30 83B 80 -48,-3.1 -48,-1.9 -2,-0.3 2,-0.3 -0.887 20.9-178.7-115.4 151.8 94.2 -72.3 43.0 79 91 A S E > S- G 0 82B 3 3,-1.9 3,-2.1 -2,-0.3 -51,-0.1 -0.946 76.8 -11.1-145.9 127.9 94.9 -73.7 39.5 80 92 A N T 3 S- 0 0 74 -52,-0.4 3,-0.1 -2,-0.3 -53,-0.0 0.893 130.5 -52.3 45.4 51.0 97.8 -72.5 37.3 81 93 A N T 3 S+ 0 0 116 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.358 114.8 112.5 73.2 -0.7 98.6 -69.7 39.8 82 94 A N E < - G 0 79B 89 -3,-2.1 -3,-1.9 2,-0.0 2,-0.4 -0.825 62.3-128.9-107.6 142.9 95.1 -68.2 39.8 83 95 A R E - G 0 78B 126 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.705 23.1-174.2 -90.9 136.0 92.6 -68.2 42.7 84 96 A Y E - G 0 77B 71 -7,-2.9 -7,-2.2 -2,-0.4 2,-0.4 -0.970 3.8-165.9-126.9 143.4 89.0 -69.4 42.2 85 97 A E E - G 0 76B 87 -2,-0.4 2,-0.5 -9,-0.2 -9,-0.2 -0.998 2.3-165.4-133.2 137.3 86.2 -69.3 44.7 86 98 A Y E > - G 0 75B 54 -11,-2.8 -11,-2.0 -2,-0.4 3,-0.8 -0.966 15.4-140.0-126.9 114.8 82.8 -71.1 44.7 87 99 A T E 3 S- 0 0 93 -2,-0.5 -13,-0.2 1,-0.2 -14,-0.1 -0.572 82.1 -12.8 -74.2 127.3 79.9 -70.2 46.9 88 100 A D E 3 S+ 0 0 52 -2,-0.3 -14,-0.3 -52,-0.1 -1,-0.2 0.870 81.2 151.1 52.8 44.4 77.9 -73.1 48.4 89 101 A I E < + 0 0 44 -16,-1.1 2,-0.4 -3,-0.8 -84,-0.4 0.752 63.2 47.1 -75.9 -26.0 79.6 -75.7 46.1 90 102 A V E - 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