==== 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 1MKW . 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) . 26240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 60.1 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 . 148 25.9 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 . 1 0.2 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 . 43 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 4 0 0 0 0 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 1 7 6 3 1 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 1 0 1 2 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 1CL E 0 0 178 0, 0.0 2,-1.1 0, 0.0 148,-0.0 0.000 360.0 360.0 360.0-134.4 43.4 36.5 -0.8 2 1BL A + 0 0 67 1,-0.2 2,-0.8 2,-0.1 62,-0.0 -0.485 360.0 45.1 67.3 -88.9 39.9 36.9 -2.4 3 1AL D S > S+ 0 0 73 -2,-1.1 3,-0.7 2,-0.0 -1,-0.2 -0.185 88.0 153.0 -81.2 41.7 39.3 34.0 -4.9 4 1 L a T 3 + 0 0 7 -2,-0.8 144,-0.2 1,-0.2 145,-0.1 -0.464 49.3 18.5 -79.1 145.5 40.6 31.5 -2.2 5 2 L G T 3 S+ 0 0 0 142,-2.9 244,-1.8 1,-0.2 2,-0.6 0.695 84.8 116.6 73.9 21.7 39.7 27.9 -1.9 6 3 L L < - 0 0 31 -3,-0.7 -1,-0.2 141,-0.3 242,-0.1 -0.995 61.7-137.6-120.9 114.8 38.3 27.4 -5.4 7 4 L R > > - 0 0 0 -2,-0.6 5,-2.3 1,-0.1 3,-0.9 -0.597 6.7-137.8 -82.1 136.7 40.4 24.8 -7.0 8 5 L P T 3 5S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.765 104.6 43.0 -57.9 -29.0 41.4 25.4 -10.6 9 6 L L T 3 5S+ 0 0 34 134,-0.3 32,-0.1 31,-0.3 134,-0.0 0.392 129.5 15.4-103.4 3.1 40.8 21.6 -11.3 10 7 L F T X >S+ 0 0 9 -3,-0.9 5,-2.6 30,-0.1 3,-0.7 0.376 128.2 31.1-135.2 -83.5 37.5 21.0 -9.4 11 8 L E G > 5S+ 0 0 10 1,-0.3 3,-2.3 2,-0.2 -5,-0.1 0.934 123.1 47.6 -47.7 -61.1 35.4 24.0 -8.3 12 9 L K G 3 - 0 0 5 -2,-0.4 3,-1.0 1,-0.1 4,-0.4 -0.289 29.2 -97.6 -68.6 163.9 36.6 15.2 -6.3 18 14AL Q T 3 S+ 0 0 143 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.758 119.0 31.9 -48.6 -41.3 36.4 11.5 -5.4 19 14BL T T >> S+ 0 0 13 1,-0.1 3,-0.8 2,-0.1 4,-0.5 0.466 88.2 100.8-105.8 3.0 35.9 12.0 -1.6 20 14CL E H X> S+ 0 0 5 -3,-1.0 4,-1.4 1,-0.2 3,-0.9 0.773 74.5 58.6 -55.8 -43.5 33.9 15.2 -1.5 21 14DL K H 3> S+ 0 0 113 -4,-0.4 4,-2.6 1,-0.3 -1,-0.2 0.789 95.1 66.2 -61.0 -32.4 30.4 13.7 -0.9 22 14EL E H <> S+ 0 0 60 -3,-0.8 4,-1.4 2,-0.2 -1,-0.3 0.852 102.2 47.8 -58.0 -34.4 31.6 12.0 2.3 23 14FL L H X S+ 0 0 45 -4,-1.4 4,-1.8 1,-0.2 3,-1.3 0.879 107.0 56.4 -58.4 -42.5 28.7 16.8 2.7 25 14HL E H 3< S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.922 102.2 56.7 -58.3 -40.4 27.0 13.7 4.0 26 14IL S H 3< S+ 0 0 15 -4,-1.4 3,-0.5 1,-0.2 -1,-0.3 0.694 106.7 52.0 -64.9 -21.0 28.5 14.4 7.4 27 14JL Y H << S+ 0 0 33 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.892 108.5 44.7 -77.8 -53.6 26.8 17.8 7.3 28 14KL I < 0 0 141 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.1 -0.159 360.0 360.0 -85.7 39.5 23.3 16.8 6.6 29 14LL E 0 0 184 -3,-0.5 -1,-0.2 -2,-0.2 -2,-0.2 0.792 360.0 360.0-118.8 360.0 23.6 14.1 9.2 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,-0.3 0.000 360.0 360.0 360.0 131.0 49.0 10.0 6.7 32 17 H V B +A 229 0A 10 197,-2.6 197,-1.7 1,-0.2 143,-0.1 -0.942 360.0 2.9-102.5 128.3 47.9 6.7 8.2 33 18 H E S S+ 0 0 118 -2,-0.5 -1,-0.2 141,-0.5 194,-0.2 0.786 100.5 127.8 67.5 30.0 44.9 4.9 6.5 34 19 H G - 0 0 21 -3,-0.3 2,-0.3 159,-0.1 159,-0.2 -0.448 51.1-127.0-104.3-179.4 44.6 7.6 3.8 35 20 H Q E -B 192 0B 79 157,-1.9 157,-2.4 -2,-0.2 2,-0.1 -0.826 38.0 -73.9-125.4 167.6 44.4 7.2 0.0 36 21 H D E -B 191 0B 89 -2,-0.3 155,-0.2 155,-0.2 2,-0.2 -0.376 50.6-120.4 -62.0 133.3 46.3 8.7 -2.9 37 22 H A - 0 0 12 153,-4.0 153,-0.2 -2,-0.1 -1,-0.1 -0.464 24.0-117.7 -77.4 140.6 45.3 12.3 -3.5 38 23 H E > - 0 0 59 -2,-0.2 3,-1.7 1,-0.1 4,-0.3 -0.422 46.8 -84.3 -69.1 155.0 43.9 13.1 -7.0 39 24 H V T 3 S+ 0 0 62 1,-0.2 -1,-0.1 2,-0.1 56,-0.0 -0.420 116.6 13.0 -61.7 132.3 46.0 15.6 -9.0 40 25 H G T 3 S+ 0 0 11 -2,-0.1 -31,-0.3 2,-0.1 -1,-0.2 0.355 85.9 128.9 83.4 -3.2 45.1 19.2 -8.0 41 26 H L S < S+ 0 0 3 -3,-1.7 -2,-0.1 1,-0.3 -24,-0.1 0.843 80.9 23.8 -54.2 -36.2 43.2 18.1 -4.9 42 27 H S > + 0 0 16 -4,-0.3 3,-2.4 1,-0.1 -1,-0.3 -0.540 62.7 167.9-136.4 71.9 45.1 20.5 -2.6 43 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.608 81.1 59.5 -60.9 -8.8 46.6 23.5 -4.6 44 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.1 103,-0.1 2,-0.2 0.366 77.8 124.2 -99.0 2.3 47.4 25.2 -1.2 45 30 H Q E < -J 61 0C 13 -3,-2.4 49,-0.7 16,-0.2 2,-0.4 -0.440 39.8-172.3 -64.5 134.5 49.6 22.3 -0.0 46 31 H V E -JK 60 93C 0 14,-2.8 14,-1.9 -2,-0.2 2,-0.5 -0.965 15.8-148.0-132.5 143.6 53.1 23.3 1.0 47 32 H M E -JK 59 92C 6 45,-2.2 45,-2.3 -2,-0.4 2,-0.7 -0.940 9.8-150.2-109.1 119.1 56.2 21.2 1.9 48 33 H L E -JK 58 91C 0 10,-2.7 9,-2.9 -2,-0.5 10,-1.4 -0.835 26.4-170.1 -89.7 117.1 58.6 22.7 4.5 49 34 H F E -JK 56 90C 11 41,-3.3 41,-1.0 -2,-0.7 2,-0.4 -0.561 28.9-121.4-107.8 164.3 62.1 21.3 3.7 50 35 H R E > -JK 55 89C 80 5,-1.7 5,-0.7 39,-0.2 39,-0.2 -0.875 29.2-138.5 -96.6 135.5 65.5 21.2 5.3 51 36 H K E 5S+J 54 0C 73 37,-3.0 3,-0.4 -2,-0.4 38,-0.1 0.898 78.2 33.6 -65.3 -47.2 67.8 22.9 2.9 52 36AH S T 5S+ 0 0 102 1,-0.5 -1,-0.3 36,-0.3 2,-0.1 -0.860 124.7 26.6-161.7 117.5 70.9 20.6 3.1 53 37 H P T 5S- 0 0 97 0, 0.0 -1,-0.5 0, 0.0 2,-0.4 0.543 106.6-131.2 -72.1 139.2 70.7 17.7 3.6 54 38 H Q E 5 +J 51 0C 106 -3,-0.4 2,-0.3 -2,-0.1 -3,-0.2 -0.470 44.2 143.9 -70.3 129.7 67.3 18.0 2.0 55 39 H E E < -J 50 0C 81 -5,-0.7 -5,-1.7 -2,-0.4 2,-0.2 -0.990 52.5-100.9-161.6 148.0 64.5 16.4 3.8 56 40 H L E +J 49 0C 34 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.480 35.5 171.6 -72.5 129.4 60.8 17.0 4.5 57 41 H L E - 0 0 33 -9,-2.9 2,-0.3 1,-0.4 176,-0.2 0.656 58.4 -31.4-107.4 -32.4 60.4 18.4 7.9 58 42 H b E -J 48 0C 5 -10,-1.4 -10,-2.7 176,-0.1 -1,-0.4 -0.980 61.1 -90.8-171.2 177.1 56.6 19.2 8.0 59 43 H G E -J 47 0C 6 176,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.398 34.9-179.4 -99.8 165.5 53.6 20.3 6.0 60 44 H A E -J 46 0C 0 -14,-1.9 -14,-2.8 10,-0.1 2,-0.3 -0.954 17.6-132.9-153.4 170.9 52.3 23.8 5.3 61 45 H S E -JL 45 69C 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.6 -0.993 16.3-128.3-131.7 153.4 49.4 25.6 3.6 62 46 H L E + L 0 68C 2 -18,-2.1 86,-1.9 -2,-0.3 6,-0.2 -0.857 28.1 169.3-101.3 115.6 49.4 28.6 1.2 63 47 H I - 0 0 13 4,-2.0 2,-0.3 -2,-0.6 5,-0.2 0.490 69.7 -1.8-104.8 -7.5 47.0 31.4 2.3 64 48 H S S S- 0 0 10 3,-1.3 -1,-0.1 85,-0.1 84,-0.1 -0.867 87.8 -87.0-160.3-174.1 48.1 34.2 -0.1 65 49 H D S S+ 0 0 52 -2,-0.3 74,-1.9 1,-0.2 72,-0.1 0.540 128.8 27.3 -87.0 -3.4 50.8 34.6 -2.7 66 50 H R S S+ 0 0 100 72,-0.2 69,-2.9 1,-0.1 2,-0.4 0.466 109.2 83.2-124.1 -22.3 53.3 35.7 -0.1 67 51 H W E - M 0 134C 17 67,-0.2 -4,-2.0 65,-0.0 -3,-1.3 -0.824 47.3-176.9-108.0 134.1 52.0 34.0 3.0 68 52 H V E -LM 62 133C 0 65,-2.3 65,-3.3 -2,-0.4 2,-0.4 -0.995 11.8-154.0-122.9 126.2 52.5 30.5 4.3 69 53 H L E +LM 61 132C 0 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.2 -0.799 30.7 139.4-100.6 135.2 50.8 29.1 7.4 70 54 H T E - M 0 131C 0 61,-2.1 61,-1.9 -2,-0.4 2,-0.4 -0.818 51.3 -67.5-154.6-167.8 52.4 26.2 9.4 71 55 H A > - 0 0 0 -12,-0.4 3,-1.0 -2,-0.2 59,-0.3 -0.804 28.0-135.3-100.6 137.1 53.0 25.0 13.0 72 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.2 3,-2.3 0.909 103.1 59.7 -52.1 -42.2 55.3 26.7 15.4 73 57 H H G 34 S+ 0 0 22 1,-0.3 -1,-0.2 2,-0.2 183,-0.0 0.779 91.8 69.6 -63.2 -21.8 56.9 23.4 16.6 74 58 H b G <4 S+ 0 0 3 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.567 117.4 20.8 -67.7 -14.1 58.0 22.7 13.1 75 59 H L T <4 S+ 0 0 1 -3,-2.3 9,-1.8 -4,-0.2 2,-0.4 0.563 130.4 38.7-121.9 -35.6 60.5 25.6 13.5 76 60 H L E < +P 83 0D 44 -4,-2.7 -1,-0.2 7,-0.2 7,-0.2 -0.916 51.5 138.8-135.4 107.8 60.9 25.9 17.3 77 60AH Y E > > -P 82 0D 35 5,-0.9 5,-2.2 -2,-0.4 3,-0.6 -0.845 28.3-166.9-143.6 94.7 61.1 23.1 19.8 78 60BH P G > 5S+ 0 0 42 0, 0.0 3,-2.8 0, 0.0 -1,-0.1 0.813 79.2 66.9 -54.0 -43.1 63.7 24.0 22.3 79 60CH P G 3 5S+ 0 0 10 0, 0.0 289,-0.1 0, 0.0 44,-0.0 0.851 107.3 44.4 -50.5 -37.6 64.1 20.6 24.0 80 60DH W G < 5S- 0 0 124 -3,-0.6 3,-0.1 2,-0.1 331,-0.0 0.159 118.9-112.7 -93.3 23.0 65.5 19.3 20.7 81 60EH D T < 5 + 0 0 150 -3,-2.8 2,-0.5 1,-0.2 -5,-0.0 0.897 64.7 162.3 48.6 40.6 67.7 22.3 20.3 82 60FH K E < +P 77 0D 38 -5,-2.2 -5,-0.9 2,-0.0 -1,-0.2 -0.822 11.5 134.2-100.2 132.3 65.4 23.2 17.3 83 60GH N E -P 76 0D 112 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.1 -0.392 29.8-166.6-173.5 82.0 65.4 26.7 15.9 84 60HH F - 0 0 28 -9,-1.8 2,-0.3 2,-0.0 -2,-0.0 -0.433 4.2-153.9 -79.0 152.5 65.5 27.1 12.2 85 60IH T >> - 0 0 62 -2,-0.1 3,-2.1 28,-0.0 4,-0.7 -0.738 39.6 -97.3-114.5 169.3 66.2 30.3 10.4 86 61 H V T 34 S+ 0 0 38 1,-0.3 25,-0.6 -2,-0.3 27,-0.1 0.604 121.1 67.0 -62.9 -9.6 65.1 31.4 6.9 87 62 H D T 34 S+ 0 0 127 1,-0.1 -1,-0.3 23,-0.1 -3,-0.0 0.633 102.4 41.1 -85.4 -18.1 68.7 30.2 5.9 88 63 H D T <4 S+ 0 0 61 -3,-2.1 -37,-3.0 -37,-0.1 2,-0.3 0.464 106.2 74.2-113.1 8.4 68.1 26.5 6.6 89 64 H L E < +K 50 0C 0 -4,-0.7 22,-0.4 -39,-0.2 2,-0.3 -0.803 47.9 178.8-123.0 150.3 64.7 26.2 5.2 90 65 H L E -K 49 0C 36 -41,-1.0 -41,-3.3 -2,-0.3 2,-0.4 -0.956 17.2-144.9-140.0 160.7 63.0 26.0 1.8 91 66 H V E -KN 48 109C 0 18,-2.0 18,-2.4 -2,-0.3 2,-0.4 -0.966 6.0-153.4-131.4 130.7 59.4 25.6 0.9 92 67 H R E -KN 47 108C 12 -45,-2.3 -45,-2.2 -2,-0.4 2,-0.3 -0.904 15.3-174.3-107.2 138.1 58.2 23.6 -2.2 93 68 H I E +KN 46 107C 2 14,-2.1 14,-3.0 -2,-0.4 -47,-0.1 -0.975 38.3 20.9-131.6 146.2 54.7 24.5 -3.7 94 69 H G E S- N 0 106C 16 -49,-0.7 2,-0.9 50,-0.3 12,-0.3 -0.442 102.2 -1.3 101.5-172.7 52.6 22.9 -6.5 95 70 H K + 0 0 51 10,-2.1 10,-0.3 1,-0.2 -2,-0.1 -0.466 63.3 145.8 -66.2 104.3 52.3 19.6 -8.3 96 71 H H - 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