==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 26-AUG-98 1BR8 . COMPND 2 MOLECULE: PROTEIN (ANTITHROMBIN-III); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.SKINNER,W.S.W.CHANG,L.JIN,X.Y.PEI,J.A.HUNTINGTON, . 814 7 6 0 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35453.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 566 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 187 23.0 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 60 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 0 3 0 2 3 2 1 2 1 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 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 . 7 1 3 4 1 4 3 2 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 0 3 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 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 8 L a > 0 0 47 0, 0.0 3,-0.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-119.6 22.8 17.7 45.6 2 9 L T T 3 - 0 0 121 1,-0.3 139,-0.0 2,-0.1 0, 0.0 0.119 360.0 -33.8 68.0 -25.0 22.3 19.1 49.1 3 10 L A T 3 S- 0 0 83 -2,-0.5 -1,-0.3 2,-0.0 0, 0.0 -0.009 113.1 -45.6 178.7 -62.5 22.5 22.4 47.2 4 11 L K < - 0 0 189 -3,-0.9 -2,-0.1 0, 0.0 98,-0.0 0.001 60.6-154.8 166.3 60.8 24.9 22.5 44.2 5 12 L P - 0 0 30 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 -0.286 18.3-139.5 -59.6 134.2 28.3 20.9 45.1 6 13 L R - 0 0 209 1,-0.1 0, 0.0 -2,-0.0 0, 0.0 -0.031 53.8-104.2 -79.4 30.9 31.3 22.1 43.1 7 14 L D S S+ 0 0 67 1,-0.1 -1,-0.1 91,-0.1 91,-0.1 0.746 93.3 127.3 46.2 26.1 32.1 18.3 43.2 8 15 L I + 0 0 138 2,-0.0 -1,-0.1 0, 0.0 0, 0.0 0.649 37.2 104.1 -80.1 -23.5 34.6 19.5 45.8 9 16 L P S S- 0 0 64 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.105 80.7 -91.4 -60.1 168.9 33.4 17.0 48.5 10 17 L M + 0 0 168 1,-0.1 -3,-0.0 2,-0.0 -2,-0.0 -0.242 43.9 164.6 -73.8 164.9 35.4 13.9 49.3 11 18 L N + 0 0 31 -2,-0.0 86,-0.1 86,-0.0 87,-0.1 0.051 18.4 163.6-178.9 50.9 34.9 10.4 47.7 12 19 L P + 0 0 76 0, 0.0 126,-0.0 0, 0.0 -2,-0.0 0.217 20.2 95.5 -65.7-170.4 37.8 7.9 48.2 13 20 L M S S- 0 0 78 2,-0.1 58,-0.1 57,-0.0 317,-0.1 0.886 87.4 -17.4 82.2 107.1 38.4 4.1 47.9 14 21 L b - 0 0 32 1,-0.2 2,-0.5 56,-0.1 57,-0.1 0.929 65.2-153.7 41.2 97.4 39.9 2.3 44.8 15 22 L I - 0 0 103 78,-0.1 2,-0.3 77,-0.1 -1,-0.2 -0.849 9.9-170.3-106.7 122.0 39.9 4.4 41.5 16 23 L Y - 0 0 34 -2,-0.5 77,-1.1 60,-0.1 76,-0.7 -0.713 5.0-179.7-101.7 159.7 39.9 2.9 38.1 17 24 L R 0 0 136 -2,-0.3 69,-0.1 74,-0.2 60,-0.0 -0.960 360.0 360.0-158.8 140.9 40.4 4.6 34.7 18 25 L S 0 0 113 -2,-0.3 -1,-0.1 68,-0.0 68,-0.0 0.749 360.0 360.0 -64.5 360.0 40.4 3.2 31.2 19 ! 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 20 43 L A > 0 0 130 0, 0.0 3,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 8.4 27.5 23.7 32.5 21 44 L T T > + 0 0 92 1,-0.2 3,-3.3 2,-0.1 4,-0.2 0.292 360.0 113.1 -86.4 10.9 29.6 20.6 32.7 22 45 L N T >> + 0 0 71 1,-0.3 4,-2.1 2,-0.2 3,-1.7 0.647 50.6 92.5 -57.1 -10.0 26.4 18.6 33.1 23 46 L R H <> S+ 0 0 178 -3,-0.6 4,-1.7 1,-0.3 -1,-0.3 0.776 78.4 61.7 -53.6 -22.9 27.5 17.4 29.7 24 47 L R H <> S+ 0 0 67 -3,-3.3 4,-1.1 2,-0.2 -1,-0.3 0.866 102.5 48.2 -69.5 -37.9 29.0 14.8 32.1 25 48 L V H <> S+ 0 0 8 -3,-1.7 4,-2.6 -4,-0.2 -2,-0.2 0.888 108.1 52.2 -70.4 -43.0 25.5 13.9 33.2 26 49 L W H X S+ 0 0 120 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.906 108.9 52.2 -60.3 -39.9 24.2 13.6 29.6 27 50 L E H X S+ 0 0 39 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.827 107.3 53.6 -63.6 -33.5 27.1 11.3 29.0 28 51 L L H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.964 108.9 46.4 -65.6 -52.8 26.0 9.3 32.0 29 52 L S H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 360,-0.2 0.898 111.0 54.2 -56.5 -42.4 22.4 8.9 30.7 30 53 L K H >X S+ 0 0 98 -4,-2.6 4,-2.6 1,-0.2 3,-0.6 0.972 111.5 43.2 -55.2 -56.2 23.8 7.9 27.3 31 54 L A H 3X S+ 0 0 2 -4,-2.4 4,-1.1 1,-0.3 -1,-0.2 0.766 111.5 57.2 -60.3 -28.0 25.9 5.2 29.0 32 55 L N H 3X S+ 0 0 7 -4,-2.0 4,-1.5 2,-0.2 -1,-0.3 0.840 108.7 45.3 -71.7 -35.6 22.8 4.4 31.0 33 56 L S H < S+ 0 0 7 -4,-3.6 3,-2.6 -5,-0.3 -1,-0.2 0.924 101.8 58.6 -60.3 -48.7 15.1 -11.0 25.9 45 68 L D H 3< S+ 0 0 135 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.830 107.3 48.6 -50.0 -36.8 17.4 -13.9 24.7 46 69 L S T 3< S+ 0 0 64 -4,-1.6 -1,-0.3 -3,-0.3 2,-0.3 0.324 108.5 67.8 -88.7 5.1 16.5 -15.6 28.0 47 70 L K S < S- 0 0 43 -3,-2.6 2,-0.4 -5,-0.2 6,-0.1 -0.817 92.6 -93.1-123.8 164.1 12.8 -15.1 27.6 48 71 L N > - 0 0 95 -2,-0.3 3,-2.9 1,-0.1 -2,-0.1 -0.626 31.0-129.2 -79.1 129.8 10.1 -16.3 25.2 49 72 L D T 3 S+ 0 0 96 -2,-0.4 -1,-0.1 1,-0.3 220,-0.1 0.747 113.2 44.1 -47.3 -31.0 9.5 -14.0 22.2 50 73 L N T 3 S+ 0 0 57 325,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.477 96.8 104.3 -94.3 -5.1 5.9 -14.1 23.0 51 74 L D S < S- 0 0 82 -3,-2.9 -4,-0.1 1,-0.1 343,-0.0 -0.447 76.3-107.5 -79.7 150.5 6.5 -13.6 26.7 52 75 L N - 0 0 30 -2,-0.1 2,-0.3 343,-0.1 343,-0.2 -0.256 33.3-166.7 -69.4 163.4 6.0 -10.3 28.5 53 76 L I E +A 394 0A 1 341,-1.7 341,-1.8 251,-0.1 2,-0.3 -0.963 14.5 159.3-156.8 135.1 8.8 -8.2 29.7 54 77 L F E +A 393 0A 0 -2,-0.3 294,-0.3 339,-0.3 2,-0.3 -0.952 11.6 132.5-158.9 139.1 9.2 -5.2 32.0 55 78 L L E -A 392 0A 1 337,-2.0 337,-1.7 -2,-0.3 3,-0.1 -0.933 48.6-111.0-164.5-175.6 12.0 -3.7 34.0 56 79 L S > - 0 0 0 -2,-0.3 4,-1.9 335,-0.2 3,-0.2 -0.878 19.9-172.9-135.4 95.9 13.7 -0.4 34.9 57 80 L P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.919 86.2 61.3 -56.0 -40.7 17.2 -0.3 33.3 58 81 L L H > S+ 0 0 3 331,-0.8 4,-1.0 332,-0.5 5,-0.1 0.896 103.8 45.5 -52.0 -51.6 17.7 2.9 35.3 59 82 L S H >> S+ 0 0 0 331,-0.4 4,-1.9 -3,-0.2 3,-1.4 0.954 109.3 56.1 -59.9 -49.3 17.3 1.3 38.7 60 83 L I H 3X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.3 -1,-0.2 0.853 110.9 44.2 -50.3 -40.0 19.5 -1.6 37.7 61 84 L S H 3X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 -1,-0.3 0.672 113.2 54.2 -76.2 -20.8 22.3 0.9 36.9 62 85 L T H < S+ 0 0 1 -4,-0.7 3,-1.2 1,-0.2 4,-0.4 0.947 111.7 46.2 -61.4 -46.7 25.8 1.8 44.6 67 90 L T H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.884 102.2 65.0 -62.5 -38.5 27.6 -1.6 44.7 68 91 L K H >< S+ 0 0 4 -4,-2.2 3,-1.6 1,-0.3 -1,-0.3 0.713 83.9 79.5 -57.6 -22.9 30.5 -0.2 42.7 69 92 L L T << S+ 0 0 16 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.890 100.1 35.6 -52.9 -46.0 31.2 2.1 45.7 70 93 L G T < S+ 0 0 1 -3,-1.3 260,-1.8 -4,-0.4 261,-0.4 0.193 98.5 113.9 -94.0 13.2 33.0 -0.7 47.6 71 94 L A < - 0 0 1 -3,-1.6 2,-0.3 257,-0.2 257,-0.2 -0.437 41.7-175.6 -84.3 162.0 34.5 -2.3 44.5 72 95 L b >> - 0 0 18 255,-1.5 4,-0.7 -2,-0.1 3,-0.6 -0.992 43.3 -13.1-157.0 152.2 38.2 -2.6 43.7 73 96 L N H >> S- 0 0 110 -2,-0.3 4,-1.9 1,-0.2 3,-1.7 -0.113 124.2 -6.4 53.9-147.0 40.5 -3.8 40.8 74 97 L D H 3> S+ 0 0 87 1,-0.3 4,-2.3 2,-0.2 5,-0.4 0.878 133.4 59.3 -42.3 -53.8 39.0 -6.0 38.1 75 98 L T H <> S+ 0 0 0 -3,-0.6 4,-0.9 250,-0.3 -1,-0.3 0.838 109.9 45.4 -48.6 -33.2 35.6 -6.2 39.9 76 99 L L H S+ 0 0 8 -4,-2.0 5,-1.9 -3,-0.4 6,-1.6 0.818 122.6 40.1 -70.9 -38.4 32.5 0.4 35.0 81 104 L E H ><5S+ 0 0 66 -4,-2.6 3,-2.1 4,-0.2 -2,-0.2 0.949 114.5 50.1 -77.0 -53.7 32.7 -1.0 31.6 82 105 L V H 3<5S+ 0 0 17 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.901 114.9 43.7 -52.3 -48.7 29.7 -3.3 31.7 83 106 L F T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.3 -48,-0.2 0.394 118.7-117.4 -80.0 6.9 27.4 -0.5 32.9 84 107 L K T X 5S+ 0 0 39 -3,-2.1 3,-1.2 -50,-0.1 -3,-0.2 0.639 74.0 135.1 69.4 16.7 29.2 1.6 30.3 85 108 L F G > < + 0 0 7 -5,-1.9 3,-1.2 -6,-0.3 -4,-0.2 0.706 59.2 73.5 -68.0 -19.2 30.6 4.0 32.8 86 109 L D G 3 S+ 0 0 56 -6,-1.6 -1,-0.3 1,-0.3 -5,-0.1 0.243 84.0 70.4 -77.6 12.0 34.0 3.9 31.0 87 110 L T G < S+ 0 0 57 -3,-1.2 -1,-0.3 -7,-0.2 -2,-0.1 0.153 85.7 90.3-110.1 11.1 32.4 6.0 28.2 88 111 L I S < S- 0 0 26 -3,-1.2 3,-0.1 -57,-0.0 -64,-0.1 -0.138 94.5 -60.0 -97.0-164.1 32.2 9.2 30.3 89 112 L S S S- 0 0 32 1,-0.2 2,-0.2 -65,-0.2 -3,-0.0 0.883 89.2 -68.0 -46.4 -62.8 34.4 12.2 31.1 90 113 L E S S- 0 0 128 2,-0.1 -1,-0.2 -72,-0.0 5,-0.2 -0.843 75.5 -12.5 169.3 156.1 37.5 10.7 32.6 91 114 L K S S+ 0 0 128 -2,-0.2 -74,-0.2 -3,-0.1 -5,-0.0 0.521 84.5 99.1 3.9 93.2 39.6 8.8 35.2 92 115 L T >> + 0 0 40 -76,-0.7 3,-2.1 2,-0.1 4,-1.5 0.097 35.4 177.4 166.0 72.3 37.3 8.7 38.2 93 116 L S T 34 S+ 0 0 5 -77,-1.1 4,-0.4 1,-0.3 -76,-0.1 0.688 96.5 55.5 -55.4 -14.4 35.3 5.7 39.1 94 117 L D T 34 S+ 0 0 33 -78,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.673 99.2 55.8 -91.8 -24.5 34.5 8.0 42.0 95 118 L Q T X> S+ 0 0 37 -3,-2.1 4,-1.6 2,-0.2 3,-1.1 0.809 92.9 68.8 -80.9 -30.0 33.2 11.0 40.0 96 119 L I H 3X S+ 0 0 4 -4,-1.5 4,-3.2 1,-0.3 5,-0.3 0.931 93.8 58.3 -52.8 -47.1 30.6 9.0 38.1 97 120 L H H 3> S+ 0 0 4 -4,-0.4 4,-0.6 1,-0.2 -1,-0.3 0.814 103.1 56.2 -52.5 -31.4 28.7 8.7 41.4 98 121 L F H X4 S+ 0 0 29 -3,-1.1 3,-0.7 -4,-0.4 4,-0.4 0.966 110.5 40.5 -65.4 -53.1 28.7 12.4 41.5 99 122 L F H >X S+ 0 0 10 -4,-1.6 4,-4.1 1,-0.3 3,-1.7 0.921 113.7 53.2 -61.8 -45.5 27.0 12.8 38.1 100 123 L F H 3X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.3 -1,-0.3 0.670 109.0 52.0 -63.7 -16.4 24.6 9.9 38.9 101 124 L A H << S+ 0 0 9 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.517 113.1 43.2 -94.8 -10.5 23.8 11.9 42.0 102 125 L K H <> S+ 0 0 45 -3,-1.7 4,-1.9 -4,-0.4 5,-0.2 0.782 115.0 50.5 -94.3 -45.1 23.2 15.0 39.8 103 126 L L H >X S+ 0 0 0 -4,-4.1 4,-2.5 1,-0.2 3,-0.6 0.961 113.3 42.3 -56.2 -58.6 21.2 12.8 37.3 104 127 L N H 3X S+ 0 0 15 -4,-1.5 4,-2.8 1,-0.2 5,-0.3 0.808 112.0 62.9 -60.5 -25.3 19.0 11.2 39.9 105 128 L a H 3> S+ 0 0 21 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.871 107.4 36.3 -66.4 -44.7 18.8 14.7 41.3 106 129 L R H << S+ 0 0 108 -4,-1.9 -2,-0.2 -3,-0.6 -1,-0.2 0.855 118.8 54.6 -76.2 -38.6 17.2 16.4 38.4 107 130 L L H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.949 122.2 22.6 -57.2 -60.6 15.1 13.3 37.8 108 131 L Y H < S+ 0 0 37 -4,-2.8 2,-0.7 1,-0.2 -1,-0.2 0.497 112.9 71.4 -91.1 -8.8 13.5 12.9 41.2 109 132 L R < - 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0 0 30 75,-1.7 75,-0.4 -2,-0.2 2,-0.1 -0.696 5.1-167.8-170.1 110.1 14.8 5.6 47.2 121 144 L N + 0 0 15 22,-0.6 25,-0.4 -2,-0.2 2,-0.2 -0.350 11.4 174.8 -92.3 175.9 17.8 3.5 47.8 122 145 L R B -I 193 0B 43 71,-1.7 71,-1.3 23,-0.2 2,-0.3 -0.780 23.3-138.4 178.6 144.2 19.0 1.7 50.9 123 146 L L B -m 147 0C 1 23,-1.6 25,-3.3 -2,-0.2 2,-0.3 -0.712 7.2-166.2-104.0 154.7 21.5 -0.7 52.5 124 147 L F + 0 0 0 -2,-0.3 2,-0.1 67,-0.3 23,-0.1 -0.706 19.7 179.1-142.1 83.7 20.7 -3.5 54.9 125 148 L G - 0 0 0 23,-0.5 25,-3.3 -2,-0.3 2,-0.3 -0.369 37.7 -86.3 -84.8 165.3 23.9 -4.7 56.5 126 149 L D B > -n 150 0D 0 63,-1.5 3,-1.3 23,-0.2 25,-0.2 -0.526 30.7-131.9 -73.1 133.4 24.4 -7.4 59.2 127 150 L K T 3 S+ 0 0 24 23,-2.1 325,-1.8 -2,-0.3 326,-0.6 0.665 104.0 53.5 -58.0 -20.7 24.0 -6.2 62.8 128 151 L S T 3 S+ 0 0 13 22,-0.3 -1,-0.3 324,-0.2 2,-0.1 0.664 91.9 89.2 -88.7 -23.7 27.2 -8.0 63.8 129 152 L L S < S- 0 0 4 -3,-1.3 2,-0.8 60,-0.1 324,-0.3 -0.393 70.3-132.8 -80.9 156.6 29.6 -6.5 61.2 130 153 L T E -O 334 0E 23 204,-2.7 204,-2.7 493,-0.1 203,-1.4 -0.880 30.2-159.2-106.7 95.6 31.6 -3.3 61.3 131 154 L F E -O 332 0E 18 -2,-0.8 201,-0.3 201,-0.3 200,-0.1 -0.404 30.7 -90.6 -76.0 151.4 31.0 -1.5 58.0 132 155 L N > - 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