==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 23-MAR-12 4EB1 . COMPND 2 MOLECULE: ANTITHROMBIN-III; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.MARTINEZ-MARTINEZ,D.J.D.JOHNSON,M.YAMASAKI,J.CORRAL,J.A.HU . 803 10 6 0 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 599 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 204 25.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 69 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 1 2 1 0 1 4 2 1 1 0 3 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 2 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 . 6 1 3 1 0 6 3 1 1 2 5 0 0 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 1 2 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 5 I V 0 0 153 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 103.4 69.3 19.3 30.7 2 6 I D >> - 0 0 94 1,-0.2 4,-3.3 2,-0.0 3,-1.0 -0.700 360.0-152.8 -85.0 118.5 66.6 16.7 30.6 3 7 I I T 34 S+ 0 0 32 -2,-0.6 -1,-0.2 1,-0.2 8,-0.1 0.925 92.1 65.8 -50.6 -50.4 67.3 13.7 32.8 4 8 I a T 34 S+ 0 0 40 1,-0.2 -1,-0.2 -3,-0.1 105,-0.1 0.796 118.8 22.9 -45.0 -38.3 65.1 11.4 30.6 5 9 I T T <4 S+ 0 0 115 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.854 97.5 107.5 -96.2 -47.5 67.6 11.9 27.7 6 10 I A < - 0 0 8 -4,-3.3 0, 0.0 4,-0.1 0, 0.0 0.073 62.4-137.8 -36.0 135.0 70.8 12.9 29.6 7 11 I K > - 0 0 36 1,-0.1 4,-1.5 0, 0.0 -1,-0.1 -0.279 31.7 -92.3 -86.3 179.7 73.4 10.1 29.6 8 12 I P T 4 S+ 0 0 79 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.838 126.7 49.7 -62.9 -33.4 75.6 9.2 32.7 9 13 I R T 4 S+ 0 0 208 1,-0.2 -3,-0.1 4,-0.0 4,-0.0 0.905 104.7 56.3 -71.9 -43.7 78.3 11.6 31.6 10 14 I D T 4 S+ 0 0 108 1,-0.2 -1,-0.2 -7,-0.1 -4,-0.1 0.856 104.6 55.4 -59.9 -39.3 76.0 14.6 31.0 11 15 I I S < S- 0 0 15 -4,-1.5 -1,-0.2 1,-0.2 90,-0.0 -0.848 77.4-163.7 -98.9 102.1 74.7 14.4 34.6 12 16 I P - 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.937 4.5-159.0 -51.2 -71.8 77.8 14.6 36.8 13 17 I M - 0 0 21 1,-0.1 84,-0.1 124,-0.0 88,-0.0 0.951 7.5-149.1 82.7 68.9 76.7 13.3 40.2 14 18 I N - 0 0 64 123,-0.1 2,-0.4 83,-0.0 -1,-0.1 -0.523 21.0-165.5 -72.2 86.9 79.3 14.7 42.7 15 19 I P - 0 0 63 0, 0.0 3,-0.2 0, 0.0 58,-0.1 -0.621 17.8-161.6 -83.2 128.0 79.1 11.9 45.2 16 20 I M S S+ 0 0 109 -2,-0.4 2,-0.5 56,-0.3 59,-0.1 0.975 83.6 21.5 -68.6 -57.8 80.6 12.6 48.7 17 21 I b S S- 0 0 30 57,-0.4 2,-0.3 2,-0.0 -1,-0.3 -0.965 76.6-163.4-117.7 121.9 80.9 8.9 49.7 18 22 I I - 0 0 73 -2,-0.5 2,-0.4 -3,-0.2 58,-0.1 -0.821 2.2-165.9-107.5 144.9 80.9 6.2 47.1 19 23 I Y - 0 0 41 -2,-0.3 77,-1.7 60,-0.1 2,-0.6 -0.995 11.7-143.1-133.7 132.8 80.2 2.5 47.7 20 24 I R B -A 95 0A 53 -2,-0.4 75,-0.2 75,-0.2 73,-0.1 -0.848 20.1-130.4-102.7 117.2 80.9 -0.4 45.3 21 25 I S - 0 0 8 73,-1.7 72,-0.4 -2,-0.6 69,-0.1 -0.297 29.6-106.5 -62.9 143.8 78.4 -3.3 45.3 22 26 I P 0 0 79 0, 0.0 71,-0.9 0, 0.0 72,-0.1 -0.223 360.0 360.0 -66.9 159.3 79.8 -6.9 45.6 23 27 I E 0 0 110 69,-0.2 69,-0.1 70,-0.1 -2,-0.0 0.863 360.0 360.0 -93.3 360.0 79.9 -9.3 42.7 24 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 25 45 I N > 0 0 122 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -39.5 67.2 0.4 30.3 26 46 I R H > + 0 0 56 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.885 360.0 44.6 -56.3 -37.2 69.0 -2.8 31.2 27 47 I R H >> S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 3,-0.6 0.943 109.4 53.6 -70.4 -50.2 69.9 -1.0 34.4 28 48 I V H 3> S+ 0 0 4 1,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.827 107.7 53.3 -53.3 -34.1 66.4 0.4 34.9 29 49 I W H 3X S+ 0 0 134 -4,-2.5 4,-1.2 2,-0.2 -1,-0.3 0.847 108.8 48.3 -71.8 -34.3 65.2 -3.2 34.7 30 50 I E H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-0.9 0.983 113.0 47.8 -49.5 -62.6 66.0 -4.5 43.5 35 55 I N H 3X S+ 0 0 9 -4,-3.7 4,-1.8 1,-0.3 -1,-0.2 0.807 112.4 50.3 -51.5 -34.4 62.9 -2.4 44.3 36 56 I S H 3X S+ 0 0 19 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.3 0.800 105.4 55.6 -77.5 -29.8 60.7 -5.5 44.1 37 57 I R H < S+ 0 0 5 -4,-2.6 3,-2.1 -5,-0.2 -1,-0.2 0.930 104.1 53.1 -67.0 -47.4 52.7 -8.8 57.7 48 68 I D H 3< S+ 0 0 150 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.759 107.0 54.4 -60.7 -25.7 54.2 -10.7 60.7 49 69 I S T 3< S+ 0 0 71 -4,-1.4 -1,-0.3 -5,-0.2 2,-0.3 0.440 105.8 69.6 -86.2 -0.4 53.7 -7.6 62.8 50 70 I K S < S- 0 0 55 -3,-2.1 2,-0.3 -5,-0.2 6,-0.0 -0.751 87.6-100.2-118.7 163.1 50.0 -7.4 61.9 51 71 I N > - 0 0 80 -2,-0.3 3,-2.5 1,-0.1 -2,-0.1 -0.629 32.1-120.7 -83.4 140.5 46.8 -9.4 62.6 52 72 I D T 3 S+ 0 0 78 -2,-0.3 -1,-0.1 1,-0.3 175,-0.1 0.796 111.0 47.7 -49.8 -39.3 45.6 -11.8 60.0 53 73 I N T 3 S+ 0 0 41 173,-0.1 2,-0.4 174,-0.1 -1,-0.3 0.176 90.3 102.6 -93.7 20.4 42.2 -10.1 59.5 54 74 I D S < S- 0 0 86 -3,-2.5 -4,-0.1 355,-0.1 2,-0.0 -0.846 74.1-120.6 -98.6 137.1 43.7 -6.6 59.3 55 75 I N - 0 0 37 -2,-0.4 2,-0.4 355,-0.1 353,-0.2 -0.341 25.6-156.6 -68.0 156.2 43.9 -5.0 55.9 56 76 I I E +B 407 0B 0 351,-2.0 351,-2.8 256,-0.1 2,-0.3 -0.999 18.6 161.9-135.8 136.4 47.4 -3.9 54.6 57 77 I F E +B 406 0B 0 -2,-0.4 2,-0.3 349,-0.3 349,-0.2 -0.946 8.3 138.0-154.8 138.2 48.3 -1.3 52.0 58 78 I L E -B 405 0B 0 347,-2.1 347,-2.2 -2,-0.3 3,-0.1 -0.975 45.1-119.4-164.2 167.0 51.4 0.6 51.1 59 79 I S > - 0 0 0 -2,-0.3 4,-1.7 345,-0.2 345,-0.2 -0.882 21.4-177.3-121.2 98.8 53.5 1.9 48.2 60 80 I P H > S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.753 84.4 61.2 -66.7 -27.2 57.0 0.3 48.4 61 81 I L H > S+ 0 0 5 342,-0.7 4,-2.6 341,-0.5 5,-0.2 0.947 104.6 49.7 -61.9 -47.7 58.1 2.3 45.4 62 82 I S H > S+ 0 0 1 341,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.916 112.6 47.1 -52.3 -49.1 57.4 5.4 47.4 63 83 I I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.949 111.2 48.8 -63.4 -51.2 59.4 4.0 50.3 64 84 I S H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.911 112.9 50.4 -53.5 -43.2 62.4 3.0 48.2 65 85 I T H X S+ 0 0 4 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.912 108.4 51.4 -63.5 -44.6 62.3 6.4 46.7 66 86 I A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.934 115.4 40.6 -57.8 -48.6 62.2 8.2 50.0 67 87 I F H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.710 110.3 58.5 -77.9 -20.3 65.2 6.3 51.4 68 88 I A H < S+ 0 0 0 -4,-1.8 4,-0.5 -5,-0.3 -1,-0.2 0.898 107.0 49.0 -70.2 -40.5 67.0 6.6 48.0 69 89 I M H >< S+ 0 0 1 -4,-2.3 3,-1.5 1,-0.2 4,-0.3 0.933 111.0 48.9 -60.5 -47.8 66.7 10.3 48.4 70 90 I T H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.3 4,-0.5 0.862 100.6 66.1 -59.4 -37.1 68.1 10.1 52.0 71 91 I K G >< S+ 0 0 5 -4,-1.7 3,-0.6 1,-0.3 -1,-0.3 0.687 81.4 80.5 -60.2 -18.6 70.9 8.0 50.7 72 92 I L G < S+ 0 0 36 -3,-1.5 -56,-0.3 -4,-0.5 -1,-0.3 0.847 103.7 31.4 -58.7 -34.7 72.1 11.0 48.8 73 93 I G G < S+ 0 0 2 -3,-1.7 265,-1.9 -4,-0.3 266,-0.3 0.426 97.8 119.9-100.9 -1.1 73.7 12.3 51.9 74 94 I A < + 0 0 4 -3,-0.6 -57,-0.4 -4,-0.5 2,-0.3 -0.192 36.3 174.5 -67.5 156.4 74.5 8.9 53.4 75 95 I b >> - 0 0 15 260,-1.6 4,-1.4 -59,-0.1 3,-0.8 -0.980 41.7 -3.4-156.4 161.7 78.1 7.8 54.2 76 96 I N H 3> S- 0 0 108 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.198 126.0 -11.6 55.4-136.3 80.0 4.9 55.8 77 97 I D H 3> S+ 0 0 89 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.880 135.7 60.1 -65.2 -40.7 77.9 2.1 57.3 78 98 I T H <> S+ 0 0 0 -3,-0.8 4,-2.2 255,-0.3 -2,-0.2 0.953 108.1 46.2 -49.2 -52.9 74.7 4.2 57.0 79 99 I L H X S+ 0 0 5 -4,-1.4 4,-2.5 256,-0.2 -2,-0.2 0.946 115.0 46.2 -54.6 -53.0 75.3 4.3 53.3 80 100 I Q H X S+ 0 0 66 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.953 108.8 54.0 -56.9 -54.3 76.1 0.6 53.1 81 101 I Q H X S+ 0 0 21 -4,-3.7 4,-3.8 1,-0.2 5,-0.3 0.888 110.5 48.8 -48.1 -45.0 73.1 -0.5 55.2 82 102 I L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 6,-0.4 0.963 109.5 50.3 -58.1 -54.5 70.9 1.5 52.8 83 103 I M H <>S+ 0 0 0 -4,-2.5 6,-2.4 1,-0.2 5,-0.6 0.822 119.7 39.5 -54.2 -32.5 72.4 -0.1 49.8 84 104 I E H ><5S+ 0 0 76 -4,-2.4 3,-1.4 3,-0.2 -2,-0.2 0.928 113.1 49.6 -84.8 -51.0 71.8 -3.5 51.4 85 105 I V H 3<5S+ 0 0 4 -4,-3.8 -3,-0.2 1,-0.3 -2,-0.2 0.844 118.3 40.7 -61.1 -35.1 68.4 -3.1 53.1 86 106 I F T 3<5S- 0 0 0 -4,-2.3 -48,-0.3 -5,-0.3 -1,-0.3 0.318 111.3-122.4 -96.9 6.8 66.9 -1.8 49.9 87 107 I K T X 5 + 0 0 47 -3,-1.4 3,-1.9 -5,-0.2 -3,-0.2 0.624 69.5 136.3 66.4 16.0 68.8 -4.3 47.8 88 108 I F G > < + 0 0 0 -5,-0.6 3,-1.2 -6,-0.4 -4,-0.2 0.772 66.6 65.8 -61.5 -24.3 70.4 -1.6 45.7 89 109 I D G 3 S+ 0 0 32 -6,-2.4 -1,-0.3 1,-0.3 4,-0.2 0.494 80.4 79.4 -77.7 -2.6 73.6 -3.6 46.1 90 110 I T G < + 0 0 44 -3,-1.9 2,-1.8 -7,-0.3 -1,-0.3 0.550 66.3 90.5 -82.5 -7.8 72.1 -6.5 44.0 91 111 I I S < S- 0 0 2 -3,-1.2 3,-0.2 -4,-0.2 -70,-0.2 -0.602 95.6-126.1 -82.9 75.6 72.9 -4.5 40.9 92 112 I S S S+ 0 0 51 -2,-1.8 -69,-0.2 1,-0.2 -2,-0.1 0.241 76.8 2.5 -32.0 134.2 76.2 -6.3 40.7 93 113 I E S S+ 0 0 143 -71,-0.9 -1,-0.2 -72,-0.4 2,-0.2 0.895 98.5 126.1 53.8 51.3 79.3 -4.2 40.5 94 114 I K - 0 0 38 -3,-0.2 -73,-1.7 -72,-0.1 2,-0.3 -0.515 49.9-122.6-119.6-168.0 77.7 -0.8 40.7 95 115 I T B >> -A 20 0A 37 -75,-0.2 3,-2.4 -2,-0.2 4,-1.3 -0.996 25.1-107.2-147.3 139.5 78.1 2.3 42.9 96 116 I S H >> S+ 0 0 5 -77,-1.7 3,-1.0 -2,-0.3 4,-0.8 0.767 118.5 48.5 -19.8 -66.5 76.0 4.5 45.2 97 117 I D H >> S+ 0 0 38 1,-0.3 4,-0.8 2,-0.2 3,-0.6 0.802 105.0 58.6 -58.0 -33.6 75.8 7.3 42.7 98 118 I Q H X> S+ 0 0 70 -3,-2.4 4,-2.3 1,-0.2 3,-0.7 0.862 95.2 63.6 -66.3 -35.2 74.9 5.1 39.8 99 119 I I H S+ 0 0 13 -4,-3.0 4,-3.5 2,-0.2 5,-0.8 0.922 107.3 55.0 -63.6 -47.0 61.2 7.8 37.2 108 128 I a H <>S+ 0 0 7 -4,-2.0 5,-2.1 1,-0.3 4,-0.3 0.957 111.4 42.5 -49.2 -58.9 61.2 9.2 33.7 109 129 I R H <5S+ 0 0 111 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.686 119.8 47.9 -67.7 -16.0 59.5 6.2 32.2 110 130 I L H <5S+ 0 0 13 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.911 132.3 3.6 -87.0 -50.4 57.2 6.0 35.2 111 131 I Y T <5S+ 0 0 43 -4,-3.5 -3,-0.2 -5,-0.1 9,-0.1 0.845 124.4 55.2-108.6 -50.0 55.9 9.6 35.5 112 132 I R T - k 0 153C 15 68,-2.9 3,-1.8 -2,-0.3 25,-0.2 -0.198 37.7-133.7 -51.6 127.1 65.2 24.4 58.5 130 150 I K T 3 S+ 0 0 136 23,-3.5 -1,-0.2 1,-0.3 24,-0.1 0.699 101.6 46.4 -54.7 -24.3 64.8 28.0 57.4 131 151 I S T 3 S+ 0 0 88 22,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.232 93.2 91.6-112.4 12.1 68.0 29.0 59.1 132 152 I L S < S- 0 0 73 -3,-1.8 2,-0.7 65,-0.1 -4,-0.0 -0.686 70.8-125.4-104.7 161.3 70.5 26.3 57.9 133 153 I T - 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