==== 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 SERINE PROTEASE INHIBITOR 28-FEB-94 1ANT . COMPND 2 MOLECULE: ANTITHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.W.CARRELL,P.E.STEIN,G.FERMI,M.R.WARDELL . 794 6 4 0 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 571 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 20.4 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 . 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 . 87 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 1 3 0 1 4 2 1 1 0 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 PARALLEL BRIDGES PER LADDER . 9 0 5 0 1 2 2 3 0 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 1 1 0 0 1 0 1 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 14 L D 0 0 128 0, 0.0 3,-0.0 0, 0.0 88,-0.0 0.000 360.0 360.0 360.0 129.9 32.2 19.7 44.1 2 15 L I + 0 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.335 360.0 121.7-149.3 -41.0 32.5 19.3 47.9 3 16 L P - 0 0 36 0, 0.0 2,-2.1 0, 0.0 89,-0.1 -0.088 61.8-135.7 -40.5 119.1 31.0 15.8 48.7 4 17 L M + 0 0 136 -3,-0.0 128,-0.1 2,-0.0 84,-0.0 -0.381 32.0 178.9 -79.2 58.4 33.7 13.9 50.4 5 18 L N - 0 0 9 -2,-2.1 2,-0.3 83,-0.1 83,-0.1 -0.508 19.5-165.1 -66.3 114.1 33.1 10.7 48.4 6 19 L P + 0 0 59 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.800 23.3 28.7-118.7 170.2 35.7 8.2 49.7 7 20 L M S S+ 0 0 113 -2,-0.3 2,-0.8 2,-0.1 58,-0.1 0.223 96.4 18.6 69.5 151.7 37.7 4.9 49.3 8 21 L a - 0 0 36 1,-0.2 59,-0.1 56,-0.1 79,-0.1 0.279 67.3-176.9 44.8 7.8 38.8 2.8 46.4 9 22 L I - 0 0 72 -2,-0.8 2,-0.2 -4,-0.1 -1,-0.2 0.057 7.6-164.5 -35.0 110.4 38.4 5.4 43.6 10 23 L Y - 0 0 47 60,-0.1 77,-2.0 61,-0.0 2,-0.3 -0.670 2.7-162.0 -97.9 159.6 39.2 3.6 40.3 11 24 L R 0 0 200 -2,-0.2 75,-0.1 75,-0.2 69,-0.0 -0.992 360.0 360.0-148.8 139.2 40.0 5.5 37.1 12 25 L S 0 0 121 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.829 360.0 360.0 -91.9 360.0 40.1 4.7 33.4 13 ! 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 14 43 L A 0 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.1 30.2 20.7 22.3 15 44 L T + 0 0 136 1,-0.2 2,-0.3 0, 0.0 0, 0.0 0.322 360.0 50.3-153.5 14.5 31.6 17.8 24.4 16 45 L N + 0 0 118 1,-0.1 -1,-0.2 66,-0.1 66,-0.0 -0.856 29.7 130.5-165.3 129.1 30.8 17.8 28.2 17 46 L R > - 0 0 116 -2,-0.3 2,-2.0 1,-0.0 3,-0.7 0.224 40.2-152.3-156.1 12.3 27.9 18.1 30.6 18 47 L R T 3> S+ 0 0 73 1,-0.3 4,-2.9 2,-0.1 5,-0.1 -0.185 86.5 60.0 49.3 -72.3 28.2 15.2 33.0 19 48 L V H 3> S+ 0 0 6 -2,-2.0 4,-2.9 2,-0.2 -1,-0.3 0.828 112.7 40.3 -52.6 -42.2 24.5 14.7 34.0 20 49 L W H <> S+ 0 0 104 -3,-0.7 4,-3.2 2,-0.2 5,-0.5 0.968 111.6 55.5 -69.8 -54.9 23.6 14.1 30.4 21 50 L E H > S+ 0 0 38 1,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.855 114.2 44.9 -42.4 -39.9 26.8 12.0 29.9 22 51 L L H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 -1,-0.3 0.955 109.9 49.2 -70.9 -57.3 25.3 10.0 32.8 23 52 L S H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.3 -2,-0.2 0.960 115.5 47.9 -49.0 -50.0 21.7 9.8 31.7 24 53 L K H X S+ 0 0 55 -4,-3.2 4,-2.1 1,-0.3 -1,-0.3 0.842 108.9 53.3 -56.4 -40.3 23.1 8.6 28.4 25 54 L A H X S+ 0 0 0 -4,-1.3 4,-1.1 -5,-0.5 -1,-0.3 0.946 108.8 49.8 -62.7 -43.0 25.3 6.2 30.2 26 55 L N H >X S+ 0 0 7 -4,-3.2 4,-2.6 1,-0.2 3,-1.0 0.939 108.9 52.9 -56.5 -52.0 22.2 4.9 32.0 27 56 L S H 3X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.3 5,-0.3 0.863 102.6 55.1 -53.7 -44.7 20.4 4.5 28.7 28 57 L R H 3X S+ 0 0 85 -4,-2.1 4,-0.9 1,-0.2 -1,-0.3 0.800 112.8 46.7 -63.0 -26.3 23.2 2.4 27.0 29 58 L F H X S+ 0 0 0 -4,-3.6 4,-2.4 1,-0.2 3,-0.8 0.992 114.8 51.4 -57.2 -49.5 20.4 -5.1 30.1 34 63 L Y H 3X S+ 0 0 3 -4,-3.3 4,-3.4 -5,-0.3 -2,-0.2 0.859 104.9 55.5 -48.9 -51.4 17.0 -5.2 28.3 35 64 L Q H 3X S+ 0 0 54 -4,-2.7 4,-1.8 1,-0.2 -1,-0.3 0.864 109.6 45.5 -55.4 -39.8 18.4 -7.2 25.4 36 65 L H H - 0 0 102 -2,-0.2 3,-2.3 4,-0.1 -2,-0.1 -0.748 26.6-119.0 -93.2 144.1 10.5 -15.5 24.7 43 72 L D T 3 S+ 0 0 57 -2,-0.3 -1,-0.1 1,-0.3 220,-0.1 0.718 112.1 48.8 -52.0 -31.2 9.5 -12.9 22.2 44 73 L N T 3 S+ 0 0 58 2,-0.0 -1,-0.3 219,-0.0 2,-0.2 0.256 96.2 89.6 -98.1 14.4 5.8 -13.3 22.9 45 74 L D S < S- 0 0 82 -3,-2.3 2,-0.1 1,-0.1 345,-0.1 -0.577 82.2 -96.1-102.7 165.5 6.0 -13.1 26.7 46 75 L N - 0 0 26 -2,-0.2 2,-0.3 343,-0.1 342,-0.2 -0.341 32.1-176.8 -78.7 165.8 5.9 -9.9 28.8 47 76 L I E +A 387 0A 0 340,-1.5 340,-2.2 -2,-0.1 2,-0.4 -0.800 7.4 168.0-163.5 107.2 8.8 -7.8 30.2 48 77 L F E +A 386 0A 2 -2,-0.3 2,-0.3 338,-0.2 338,-0.2 -0.997 16.3 132.2-129.2 141.1 8.4 -4.8 32.4 49 78 L L E -A 385 0A 0 336,-2.0 336,-2.5 -2,-0.4 293,-0.0 -0.971 48.8-117.9-166.0 177.9 11.1 -3.0 34.4 50 79 L S >> - 0 0 0 -2,-0.3 4,-1.4 334,-0.3 3,-1.3 -0.822 15.2-173.4-131.8 95.2 12.9 0.2 35.4 51 80 L P T 34 S+ 0 0 2 0, 0.0 4,-0.3 0, 0.0 -21,-0.1 0.228 85.7 64.2 -75.4 21.1 16.5 0.3 34.3 52 81 L L T 3> S+ 0 0 1 331,-0.7 4,-1.2 2,-0.1 332,-0.1 0.608 99.0 47.8-109.2 -34.4 16.7 3.5 36.4 53 82 L S H X> S+ 0 0 0 -3,-1.3 4,-2.5 330,-0.3 3,-0.8 0.972 113.1 50.3 -69.2 -57.6 16.1 1.9 39.7 54 83 L I H 3X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.3 5,-0.4 0.883 106.7 53.1 -44.0 -54.8 18.7 -0.8 38.9 55 84 L S H 3> S+ 0 0 0 -4,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.910 115.9 43.7 -49.7 -42.3 21.3 1.8 37.8 56 85 L T H XX S+ 0 0 1 -4,-1.2 4,-2.6 -3,-0.8 3,-0.8 0.967 108.8 51.1 -69.7 -59.7 20.7 3.4 41.2 57 86 L A H 3X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.3 -1,-0.2 0.881 119.8 39.9 -48.9 -39.3 20.6 0.4 43.6 58 87 L F H 3X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.3 0.704 108.2 61.7 -84.1 -17.6 23.9 -0.7 42.1 59 88 L A H < S+ 0 0 2 -4,-0.8 3,-2.0 -5,-0.3 -1,-0.2 0.913 100.7 60.9 -73.1 -47.7 26.2 -0.6 46.2 62 91 L K H >< S+ 0 0 0 -4,-2.0 3,-2.6 1,-0.3 -2,-0.2 0.830 84.7 79.9 -45.5 -37.4 29.3 0.4 44.3 63 92 L L T 3< S+ 0 0 26 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.836 101.3 35.0 -43.0 -43.0 29.9 3.0 47.0 64 93 L G T < S+ 0 0 6 -3,-2.0 261,-0.4 -4,-0.4 -1,-0.3 -0.026 97.6 98.9-106.5 31.9 31.4 0.3 49.1 65 94 L A < - 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