==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD COAGULATION/HYDROLASE INHIBITOR 06-DEC-96 1TOM . COMPND 2 MOLECULE: ALPHA-THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.CHEN . 286 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12934.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 4 1 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 1BL A 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -69.9 13.3 20.2 20.4 2 1AL D > + 0 0 74 143,-0.0 3,-1.4 2,-0.0 144,-0.1 0.204 360.0 140.4-105.8 19.5 10.0 18.6 19.2 3 1 L a T 3 + 0 0 31 1,-0.2 142,-0.2 142,-0.1 143,-0.1 -0.112 63.7 18.1 -69.2 150.8 10.8 15.0 20.1 4 2 L G T 3 S+ 0 0 0 140,-2.6 235,-1.1 234,-0.2 2,-0.6 0.481 91.6 114.9 74.7 1.1 8.2 12.7 21.5 5 3 L L < - 0 0 32 -3,-1.4 -1,-0.2 139,-0.3 233,-0.1 -0.931 60.5-143.1-105.2 112.0 5.3 14.9 20.4 6 4 L R > > - 0 0 0 -2,-0.6 5,-2.2 1,-0.1 3,-1.2 -0.648 5.8-141.0 -79.1 130.8 3.2 13.0 17.7 7 5 L P T 3 5S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.901 103.2 42.7 -53.8 -41.7 1.7 15.0 14.8 8 6 L L T 3 5S+ 0 0 30 132,-0.5 30,-0.1 29,-0.3 132,-0.0 0.538 130.1 19.4 -89.3 -1.8 -1.5 13.0 14.9 9 7 L F T X>>S+ 0 0 14 -3,-1.2 5,-2.6 28,-0.1 3,-1.3 0.507 125.7 27.3-127.9 -79.7 -1.9 12.9 18.6 10 8 L E G >45S+ 0 0 25 1,-0.3 3,-1.2 3,-0.2 -5,-0.1 0.889 119.4 55.6 -59.2 -39.0 -0.1 15.4 21.1 11 9 L K G 34 - 0 0 5 -2,-0.4 3,-0.5 1,-0.1 4,-0.4 -0.397 37.7 -95.7 -72.8 167.4 -4.6 7.2 21.3 17 14AL K T 3 S+ 0 0 96 1,-0.2 -1,-0.1 2,-0.1 4,-0.0 0.611 113.6 23.4 -65.1 -16.8 -6.8 4.3 22.6 18 14BL T T >> S+ 0 0 36 2,-0.1 3,-1.5 1,-0.0 4,-0.9 0.474 85.9 99.6-128.9 4.6 -4.5 2.9 25.3 19 14CL E H <> S+ 0 0 2 -3,-0.5 4,-2.3 1,-0.3 3,-0.3 0.835 78.6 65.6 -66.8 -23.1 -2.1 5.6 26.5 20 14DL R H 3> S+ 0 0 164 -4,-0.4 4,-3.2 1,-0.2 -1,-0.3 0.855 94.3 60.3 -60.3 -32.9 -4.4 6.3 29.5 21 14EL E H <> S+ 0 0 55 -3,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.917 106.9 47.0 -60.0 -39.9 -3.5 2.8 30.7 22 14FL L H >< S+ 0 0 0 -4,-0.9 3,-1.7 -3,-0.3 140,-0.5 0.970 113.8 45.4 -63.9 -52.0 0.1 3.9 30.8 23 14GL L H >< S+ 0 0 49 -4,-2.3 3,-2.0 1,-0.3 -2,-0.2 0.913 106.6 60.7 -68.0 -31.1 -0.6 7.1 32.6 24 14HL E H 3< S+ 0 0 128 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.673 102.2 52.8 -66.4 -14.2 -2.9 5.4 35.1 25 14IL S T << 0 0 28 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.522 360.0 360.0 -98.4 -3.2 0.0 3.2 36.2 26 14JL Y < 0 0 56 -3,-2.0 130,-0.1 -4,-0.4 134,-0.0 -0.738 360.0 360.0 -91.4 360.0 2.4 6.2 36.9 27 !* 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 28 16 H I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 131.6 4.1 -9.0 19.5 29 17 H V B +A 219 0A 13 190,-2.5 190,-1.5 1,-0.2 143,-0.1 -0.833 360.0 1.5 -97.5 132.4 2.1 -11.7 21.2 30 18 H E S S+ 0 0 126 -2,-0.4 -1,-0.2 141,-0.4 187,-0.2 0.739 100.2 119.6 64.6 30.0 -1.3 -10.6 22.6 31 19 H G - 0 0 29 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.161 54.7-125.2 -99.7-159.4 -1.1 -7.0 21.4 32 20 H S E -B 182 0B 55 150,-2.1 150,-2.3 -2,-0.1 2,-0.2 -0.887 36.0 -70.3-145.8 170.9 -3.5 -5.2 19.0 33 21 H D E -B 181 0B 94 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.462 52.0-120.6 -66.8 134.7 -3.2 -3.3 15.8 34 22 H A - 0 0 7 146,-2.9 2,-0.2 -2,-0.2 -1,-0.1 -0.378 21.5-115.8 -68.7 153.7 -1.6 0.0 16.1 35 23 H E > - 0 0 63 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.560 44.1 -89.2 -77.8 151.2 -3.4 3.2 15.1 36 24 H I T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.422 113.9 10.2 -64.9 138.4 -1.9 5.2 12.2 37 25 H G T 3 S+ 0 0 11 104,-0.1 -29,-0.3 2,-0.1 -1,-0.3 0.467 92.3 121.5 70.5 5.4 0.7 7.7 13.3 38 26 H M S < S+ 0 0 1 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.754 85.6 22.4 -71.5 -26.5 0.7 6.1 16.9 39 27 H S > + 0 0 10 -4,-0.3 3,-2.6 102,-0.1 -1,-0.3 -0.544 69.2 167.3-134.9 72.2 4.5 5.3 16.8 40 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.9 0, 0.0 51,-0.2 0.557 76.1 60.4 -68.1 -9.4 6.0 7.6 14.2 41 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.7 103,-0.1 104,-0.1 0.464 75.6 117.2 -90.3 -8.0 9.5 6.7 15.5 42 30 H Q E < -J 58 0C 4 -3,-2.6 49,-0.8 16,-0.2 2,-0.3 -0.459 45.6-170.8 -68.5 133.5 9.1 2.9 14.6 43 31 H V E -JK 57 90C 0 14,-2.1 14,-1.1 47,-0.2 2,-0.5 -0.921 15.4-142.7-123.9 148.8 11.6 1.9 12.0 44 32 H M E -JK 56 89C 0 45,-2.3 45,-2.7 -2,-0.3 2,-0.6 -0.964 9.9-146.1-109.7 130.6 11.7 -1.4 10.1 45 33 H L E -JK 55 88C 0 10,-3.0 9,-2.9 -2,-0.5 10,-1.0 -0.882 25.0-167.7 -95.9 126.4 15.2 -2.9 9.4 46 34 H F E -JK 53 87C 0 41,-3.2 41,-2.5 -2,-0.6 2,-0.3 -0.945 17.9-136.8-127.9 127.1 14.9 -4.6 6.1 47 35 H R E > -JK 52 86C 73 5,-3.1 5,-0.8 -2,-0.5 39,-0.2 -0.613 8.5-150.1 -77.0 137.6 17.2 -7.0 4.5 48 36 H K T 5S+ 0 0 34 37,-1.9 3,-0.2 -2,-0.3 -1,-0.1 0.976 79.2 53.7 -76.6 -49.5 17.8 -6.4 0.7 49 36AH S T 5S+ 0 0 98 1,-0.4 -1,-0.3 36,-0.4 2,-0.1 -0.925 122.8 17.5-136.3 115.0 18.5 -10.0 -0.3 50 37 H P T 5S- 0 0 79 0, 0.0 2,-0.6 0, 0.0 -1,-0.4 0.587 104.2-126.6 -67.0 145.3 16.4 -12.0 0.5 51 38 H Q T 5 + 0 0 63 -3,-0.2 2,-0.3 -2,-0.1 230,-0.3 -0.538 57.5 135.2 -58.2 104.9 14.0 -9.1 1.1 52 39 H E E < -J 47 0C 68 -5,-0.8 -5,-3.1 -2,-0.6 2,-0.4 -0.993 61.9 -94.0-157.2 155.9 12.8 -9.7 4.7 53 40 H L E +J 46 0C 33 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.654 38.9 172.8 -71.7 121.5 12.1 -8.0 8.1 54 41 H L E - 0 0 26 -9,-2.9 2,-0.3 -2,-0.4 169,-0.2 0.857 55.5 -32.5 -88.5 -54.1 15.2 -8.3 10.2 55 42 H b E -J 45 0C 2 -10,-1.0 -10,-3.0 169,-0.1 -1,-0.4 -0.918 54.0-101.9-160.1 167.1 14.4 -6.2 13.2 56 43 H G E +J 44 0C 2 169,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.492 39.3 170.5 -90.6 177.1 12.6 -3.1 14.6 57 44 H A E -J 43 0C 0 -14,-1.1 -14,-2.1 -2,-0.2 2,-0.3 -0.903 23.3-122.5-172.3 176.8 14.5 0.1 15.4 58 45 H S E -JL 42 66C 0 8,-1.9 8,-2.3 -2,-0.3 2,-0.6 -0.988 13.5-125.0-142.1 151.6 13.6 3.7 16.4 59 46 H L E + L 0 65C 0 -18,-1.7 86,-2.4 -2,-0.3 6,-0.2 -0.852 28.8 168.8 -99.8 119.6 14.2 7.1 14.9 60 47 H I S S- 0 0 22 4,-2.0 2,-0.3 -2,-0.6 -1,-0.2 0.550 70.2 -3.1-108.6 -11.4 15.9 9.5 17.5 61 48 H S S S- 0 0 34 3,-1.2 3,-0.3 85,-0.1 -1,-0.3 -0.942 87.7 -84.0-157.1-177.6 16.8 12.3 15.0 62 49 H D S S+ 0 0 60 -2,-0.3 74,-2.0 1,-0.2 72,-0.1 0.760 128.3 27.5 -63.2 -24.6 16.6 13.0 11.3 63 50 H R S S+ 0 0 109 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.474 109.2 77.0-114.7 -4.9 19.8 11.1 10.7 64 51 H W E - M 0 131C 4 -3,-0.3 -4,-2.0 67,-0.2 -3,-1.2 -0.913 47.4-173.1-125.8 136.1 20.1 8.5 13.5 65 52 H V E -LM 59 130C 0 65,-2.6 65,-2.6 -2,-0.4 2,-0.4 -0.968 11.1-152.3-121.3 140.2 18.4 5.2 14.2 66 53 H L E +LM 58 129C 0 -8,-2.3 -8,-1.9 -2,-0.4 2,-0.2 -0.916 27.4 145.8-111.6 135.2 18.7 3.1 17.4 67 54 H T E - M 0 128C 0 61,-2.4 61,-1.8 -2,-0.4 2,-0.4 -0.811 52.3 -74.2-147.8-176.1 18.4 -0.7 17.5 68 55 H A > - 0 0 0 -12,-0.4 3,-1.8 59,-0.2 4,-0.4 -0.733 35.0-132.5 -85.3 137.5 19.8 -3.8 19.4 69 56 H A G >> S+ 0 0 0 -2,-0.4 4,-3.0 1,-0.3 3,-1.5 0.846 104.8 67.0 -58.4 -27.9 23.3 -4.8 18.5 70 57 H H G 34 S+ 0 0 19 1,-0.3 -1,-0.3 2,-0.2 155,-0.0 0.698 88.0 67.9 -71.1 -15.1 22.2 -8.4 18.2 71 58 H b G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.781 116.8 24.2 -70.6 -26.3 20.1 -7.4 15.2 72 59 H L T <4 S+ 0 0 0 -3,-1.5 9,-2.7 -4,-0.4 2,-0.4 0.779 129.6 31.4-106.7 -36.7 23.4 -6.8 13.3 73 60 H L E < +P 80 0D 37 -4,-3.0 -1,-0.3 7,-0.2 7,-0.2 -0.980 53.6 138.3-134.5 123.6 26.1 -8.9 15.0 74 60AH Y E > > -P 79 0D 51 5,-2.7 5,-2.0 -2,-0.4 3,-1.7 -0.393 24.2-170.5-163.0 83.2 25.6 -12.3 16.7 75 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.5 0, 0.0 5,-0.1 0.759 78.4 70.9 -51.6 -35.9 28.4 -14.8 15.8 76 60CH P G 3 5S+ 0 0 72 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.852 113.3 31.2 -49.2 -35.2 26.7 -17.9 17.4 77 60DH W G < 5S- 0 0 183 -3,-1.7 0, 0.0 2,-0.1 0, 0.0 0.103 119.3-112.2-109.5 19.9 24.3 -17.8 14.5 78 60EH D T < 5 + 0 0 148 -3,-2.5 2,-0.5 1,-0.2 -5,-0.0 0.758 62.9 154.5 52.8 33.5 26.9 -16.3 12.1 79 60FH K E < +P 74 0D 50 -5,-2.0 -5,-2.7 -9,-0.0 -1,-0.2 -0.772 5.4 144.2 -91.9 128.6 25.1 -13.0 11.9 80 60GH N E -P 73 0D 111 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.568 22.9-177.0-157.9 85.4 27.3 -10.0 11.0 81 60HH F - 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