==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (BLOOD COAGULATION/PROENZYME) 13-MAR-97 1MKX . COMPND 2 MOLECULE: ALPHA-THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.G.MALKOWSKI,B.F.P.EDWARDS . 571 3 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 149 26.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 51 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 2 2 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 7 4 5 6 4 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 . 2 0 0 0 0 2 0 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 1CL E 0 0 121 0, 0.0 147,-0.0 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0-160.6 43.4 36.3 -1.5 2 1BL A + 0 0 83 147,-0.0 147,-0.0 0, 0.0 0, 0.0 0.380 360.0 51.0-137.5 -20.0 39.7 36.7 -2.8 3 1AL D S > S+ 0 0 63 145,-0.1 3,-1.1 3,-0.0 146,-0.1 -0.010 83.8 144.1-111.9 30.1 39.4 33.6 -5.0 4 1 L a T 3 + 0 0 17 1,-0.2 144,-0.3 144,-0.1 145,-0.1 -0.303 56.4 23.3 -68.3 144.4 40.8 31.3 -2.2 5 2 L G T 3 S+ 0 0 0 142,-2.8 244,-1.9 1,-0.2 2,-0.6 0.465 89.5 110.8 82.0 -2.4 39.5 27.8 -1.8 6 3 L L < - 0 0 26 -3,-1.1 -1,-0.2 141,-0.3 242,-0.1 -0.959 63.5-138.2-107.3 120.9 38.2 27.3 -5.3 7 4 L R > > - 0 0 0 -2,-0.6 5,-2.4 1,-0.1 3,-0.9 -0.714 7.9-141.1 -91.1 137.1 40.4 24.8 -7.1 8 5 L P T 3 5S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.788 104.9 39.0 -54.8 -44.6 41.6 25.1 -10.6 9 6 L L T 3 5S+ 0 0 28 134,-0.4 32,-0.1 31,-0.3 134,-0.0 0.549 132.9 19.0 -90.4 -2.9 41.1 21.4 -11.4 10 7 L F T X >S+ 0 0 9 -3,-0.9 5,-2.3 30,-0.2 3,-1.1 0.573 125.7 28.9-127.6 -84.1 37.9 21.0 -9.4 11 8 L E G > 5S+ 0 0 11 1,-0.3 3,-1.9 2,-0.2 -5,-0.1 0.924 122.7 50.9 -52.1 -48.5 35.6 23.8 -8.4 12 9 L K G 3 - 0 0 4 -2,-0.4 3,-0.8 1,-0.1 4,-0.4 -0.203 29.2 -97.7 -67.3 166.8 36.7 15.2 -6.3 18 14AL Q T 3 S+ 0 0 133 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.725 118.1 31.5 -52.7 -35.9 36.5 11.5 -5.4 19 14BL T T >> S+ 0 0 15 1,-0.1 3,-0.9 2,-0.1 4,-0.7 0.323 86.0 102.6-113.4 9.1 35.9 11.9 -1.6 20 14CL E H X> S+ 0 0 3 -3,-0.8 4,-1.7 1,-0.2 3,-0.8 0.834 75.0 60.6 -58.3 -41.4 33.9 15.1 -1.5 21 14DL K H 3> S+ 0 0 125 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.770 95.2 63.4 -62.4 -22.7 30.5 13.4 -1.0 22 14EL E H <> S+ 0 0 59 -3,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.873 105.3 46.0 -67.4 -36.4 31.7 11.8 2.2 23 14FL L H X S+ 0 0 55 -4,-1.7 4,-1.6 1,-0.2 3,-0.8 0.881 108.8 57.6 -55.7 -47.2 28.7 16.6 2.5 25 14HL E H 3< S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.887 104.8 53.6 -53.5 -35.3 27.0 13.4 3.7 26 14IL S H >< S+ 0 0 10 -4,-1.1 3,-0.8 -3,-0.2 -1,-0.2 0.766 102.8 57.2 -71.4 -29.7 28.4 14.2 7.2 27 14JL Y H << S+ 0 0 27 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.892 107.1 46.2 -66.8 -47.6 26.9 17.7 7.2 28 14KL I T 3< 0 0 140 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.1 -0.100 360.0 360.0 -90.9 34.1 23.3 16.5 6.7 29 14LL E < 0 0 176 -3,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.684 360.0 360.0-108.8 360.0 23.6 13.7 9.3 30 !* 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 31 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 119.2 48.8 9.8 6.9 32 17 H V B -A 229 0A 11 197,-2.6 197,-1.5 1,-0.2 143,-0.1 -0.873 360.0 -1.9 -87.6 124.6 47.9 6.6 8.6 33 18 H E S S+ 0 0 115 141,-0.6 -1,-0.2 -2,-0.5 194,-0.2 0.723 100.2 124.4 66.9 27.8 45.1 4.9 6.6 34 19 H G - 0 0 24 -3,-0.4 2,-0.3 159,-0.1 159,-0.2 -0.155 51.5-123.7 -98.5-163.6 44.5 7.5 4.0 35 20 H Q E -B 192 0B 80 157,-2.3 157,-2.6 -2,-0.1 2,-0.3 -0.832 37.5 -69.8-134.6 175.2 44.6 7.2 0.1 36 21 H D E -B 191 0B 90 -2,-0.3 155,-0.2 155,-0.2 154,-0.1 -0.525 50.7-122.2 -70.5 131.1 46.4 8.8 -2.7 37 22 H A - 0 0 10 153,-3.5 2,-0.2 -2,-0.3 153,-0.1 -0.263 25.7-113.1 -69.2 152.6 45.5 12.4 -3.4 38 23 H E > - 0 0 54 1,-0.1 3,-2.8 151,-0.1 4,-0.4 -0.594 44.7 -87.1 -81.4 150.6 44.2 13.3 -6.9 39 24 H V T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.2 56,-0.0 -0.443 119.2 12.1 -59.9 122.7 46.4 15.5 -9.0 40 25 H G T 3 S+ 0 0 1 -2,-0.2 -31,-0.3 2,-0.1 -1,-0.3 0.433 90.2 127.2 87.7 3.6 45.4 19.0 -8.0 41 26 H L S < S+ 0 0 4 -3,-2.8 -2,-0.1 1,-0.3 -24,-0.1 0.824 79.9 25.1 -56.5 -46.6 43.4 17.9 -5.0 42 27 H S > + 0 0 4 -4,-0.4 3,-1.0 1,-0.1 -1,-0.3 -0.783 65.7 170.7-127.3 87.3 45.1 20.1 -2.5 43 28 H P T 3 S+ 0 0 1 0, 0.0 103,-2.3 0, 0.0 51,-0.1 0.556 78.0 57.7 -76.8 -4.1 46.6 23.3 -4.3 44 29 H W T 3 S+ 0 0 4 101,-0.2 18,-2.4 103,-0.1 104,-0.1 0.393 77.1 123.5-104.4 0.5 47.5 25.1 -1.0 45 30 H Q E < -J 61 0C 6 -3,-1.0 49,-0.6 16,-0.2 2,-0.3 -0.308 38.4-176.9 -59.6 147.1 49.7 22.2 0.2 46 31 H V E -JK 60 93C 2 14,-1.7 14,-0.9 47,-0.1 2,-0.5 -0.987 17.9-143.5-148.0 132.8 53.3 23.3 1.0 47 32 H M E -JK 59 92C 2 45,-2.2 45,-2.6 -2,-0.3 2,-0.7 -0.917 10.2-146.8-102.1 130.5 56.2 21.1 2.2 48 33 H L E -JK 58 91C 0 10,-2.6 9,-2.8 -2,-0.5 10,-1.4 -0.880 28.1-171.6 -94.6 110.2 58.7 22.6 4.7 49 34 H F E -JK 56 90C 16 41,-3.1 41,-1.7 -2,-0.7 2,-0.4 -0.703 29.1-119.4-105.3 163.0 62.1 21.2 3.9 50 35 H R E > -JK 55 89C 62 5,-2.6 5,-0.7 -2,-0.3 39,-0.2 -0.821 28.3-136.7 -93.2 133.0 65.5 21.2 5.5 51 36 H K T 5S+ 0 0 64 37,-3.0 3,-0.4 -2,-0.4 -1,-0.1 0.919 79.2 36.1 -59.0 -51.4 67.9 22.9 3.1 52 36AH S T 5S+ 0 0 105 1,-0.5 -1,-0.2 36,-0.3 2,-0.1 -0.938 125.7 21.8-157.1 120.6 70.9 20.5 3.3 53 37 H P T 5S- 0 0 94 0, 0.0 -1,-0.5 0, 0.0 2,-0.2 0.623 106.2-130.2 -74.3 134.0 70.8 17.5 3.7 54 38 H Q T 5 + 0 0 137 -3,-0.4 2,-0.3 -2,-0.1 -3,-0.2 -0.427 41.7 157.1 -63.3 126.4 67.3 18.0 2.2 55 39 H E E < -J 50 0C 86 -5,-0.7 -5,-2.6 -2,-0.2 2,-0.5 -0.989 46.8-108.3-148.9 144.3 64.6 16.3 4.3 56 40 H L E +J 49 0C 43 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.649 37.2 172.0 -73.4 121.5 60.9 16.8 4.7 57 41 H L E - 0 0 30 -9,-2.8 2,-0.3 -2,-0.5 176,-0.2 0.758 55.2 -32.7-102.3 -29.6 60.3 18.3 8.1 58 42 H b E -J 48 0C 6 -10,-1.4 -10,-2.6 176,-0.1 -1,-0.4 -0.976 58.6 -91.3-173.4 177.5 56.6 19.1 8.0 59 43 H G E +J 47 0C 6 176,-2.5 12,-0.4 -2,-0.3 2,-0.3 -0.329 36.6 171.3-100.1 173.8 53.6 20.1 6.1 60 44 H A E -J 46 0C 0 -14,-0.9 -14,-1.7 10,-0.1 2,-0.3 -0.963 20.1-128.3-170.2 172.6 52.2 23.6 5.6 61 45 H S E -JL 45 69C 0 8,-2.0 8,-2.9 -2,-0.3 2,-0.5 -0.999 14.9-123.9-144.2 146.8 49.6 25.5 3.5 62 46 H L E + L 0 68C 0 -18,-2.4 86,-2.0 -2,-0.3 6,-0.2 -0.739 29.1 167.1 -88.2 117.3 49.4 28.6 1.2 63 47 H I S S- 0 0 16 4,-2.3 2,-0.3 -2,-0.5 87,-0.2 0.302 72.9 -1.0-110.8 -0.2 46.9 31.3 2.4 64 48 H S S S- 0 0 17 3,-0.9 -1,-0.2 85,-0.1 84,-0.1 -0.914 87.7 -88.9-169.8 179.0 48.1 34.1 -0.0 65 49 H D S S+ 0 0 28 -2,-0.3 74,-1.4 1,-0.2 72,-0.1 0.627 128.5 32.1 -81.9 -7.9 50.8 34.4 -2.7 66 50 H R S S+ 0 0 118 72,-0.2 69,-3.5 1,-0.1 2,-0.4 0.468 109.0 76.6-117.9 -21.0 53.3 35.6 0.0 67 51 H W E - M 0 134C 26 67,-0.2 -4,-2.3 65,-0.0 -3,-0.9 -0.903 46.5-176.5-113.9 132.8 52.1 33.7 3.2 68 52 H V E -LM 62 133C 0 65,-2.1 65,-2.6 -2,-0.4 2,-0.4 -0.936 15.4-150.2-116.0 136.9 52.4 30.1 4.3 69 53 H L E +LM 61 132C 0 -8,-2.9 -8,-2.0 -2,-0.4 2,-0.3 -0.891 30.0 145.1-109.1 140.6 50.8 28.8 7.6 70 54 H T E - M 0 131C 0 61,-2.6 61,-3.0 -2,-0.4 2,-0.4 -0.893 49.8 -71.7-155.5-172.8 52.3 26.0 9.7 71 55 H A > - 0 0 0 -12,-0.4 3,-1.0 59,-0.3 4,-0.3 -0.787 30.7-137.7 -94.2 132.8 52.8 24.7 13.2 72 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.2 3,-2.4 0.849 101.5 63.9 -54.7 -40.6 55.3 26.5 15.5 73 57 H H G 34 S+ 0 0 28 1,-0.3 -1,-0.2 2,-0.2 183,-0.0 0.828 90.8 65.3 -60.6 -27.1 56.7 23.2 16.9 74 58 H b G <4 S+ 0 0 3 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.751 116.5 28.8 -62.9 -20.4 58.0 22.4 13.4 75 59 H L T <4 S+ 0 0 1 -3,-2.4 9,-1.9 -4,-0.3 2,-0.4 0.817 127.3 29.1-105.7 -43.5 60.3 25.4 13.9 76 60 H L E < +P 83 0D 43 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.967 51.7 146.1-132.4 116.7 61.0 25.7 17.6 77 60AH Y E > > -P 82 0D 39 5,-1.4 5,-2.3 -2,-0.4 3,-0.8 -0.817 26.1-163.6-147.7 96.7 61.1 23.0 20.1 78 60BH P G > 5S+ 0 0 46 0, 0.0 3,-3.1 0, 0.0 -1,-0.1 0.846 81.7 66.5 -52.1 -43.2 63.8 23.8 22.7 79 60CH P G 3 5S+ 0 0 10 0, 0.0 289,-0.1 0, 0.0 332,-0.0 0.852 109.2 39.9 -50.7 -37.2 64.1 20.3 24.2 80 60DH W G < 5S- 0 0 124 -3,-0.8 3,-0.1 2,-0.1 331,-0.0 0.165 116.2-116.2 -96.2 22.4 65.5 19.1 20.9 81 60EH D T < 5 + 0 0 143 -3,-3.1 2,-0.5 1,-0.2 -5,-0.0 0.880 62.7 158.8 43.0 42.1 67.6 22.3 20.6 82 60FH K E < +P 77 0D 41 -5,-2.3 -5,-1.4 -9,-0.0 -1,-0.2 -0.845 10.3 139.2 -98.1 129.7 65.5 23.0 17.5 83 60GH N E -P 76 0D 106 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.1 -0.419 30.5-165.2-169.0 74.7 65.2 26.6 16.2 84 60HH F - 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