==== 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 HYDROLASE/HYDROLASE INHIBITOR 21-APR-93 1FPH . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.T.STUBBS,W.BODE . 317 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 24.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.3 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 . 24 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 1 1 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 . 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 . 4 6 1 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 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 1HL T 0 0 40 0, 0.0 159,-2.4 0, 0.0 2,-2.1 0.000 360.0 360.0 360.0 133.9 60.8 71.2 4.2 2 1GL F + 0 0 204 157,-0.2 2,-0.4 158,-0.1 157,-0.0 -0.576 360.0 142.6 -81.7 62.6 63.6 68.7 4.6 3 1FL G + 0 0 29 -2,-2.1 2,-0.2 154,-0.0 -1,-0.1 -0.683 3.0 117.5-130.6 102.4 62.5 67.9 8.1 4 1EL S + 0 0 111 -2,-0.4 -2,-0.0 154,-0.1 2,-0.0 -0.561 36.8 103.6-117.4-172.8 62.3 64.7 10.1 5 1DL G + 0 0 54 -2,-0.2 0, 0.0 2,-0.1 0, 0.0 0.241 50.2 23.5 115.3 144.5 64.3 63.9 13.2 6 1CL E S S+ 0 0 182 2,-0.0 3,-0.1 3,-0.0 0, 0.0 0.914 87.7 50.5 55.4 135.6 64.2 63.5 17.0 7 1BL A S S- 0 0 86 1,-0.1 2,-1.3 2,-0.0 -2,-0.1 0.610 79.8-114.8 73.1 107.6 61.2 62.8 19.1 8 1AL D + 0 0 58 2,-0.0 3,-0.3 3,-0.0 2,-0.2 -0.662 46.2 163.9 -80.2 93.4 59.0 59.9 18.1 9 1 L a + 0 0 26 -2,-1.3 146,-0.2 1,-0.2 147,-0.1 -0.663 56.1 36.2 -96.4 173.9 55.7 61.3 17.1 10 2 L G S S+ 0 0 0 144,-2.3 246,-1.2 -2,-0.2 2,-0.8 0.318 83.4 110.1 75.0 -14.7 53.1 59.4 15.2 11 3 L L - 0 0 25 -3,-0.3 -1,-0.1 143,-0.2 244,-0.1 -0.860 63.7-144.0-108.1 101.1 53.8 56.0 16.8 12 4 L R > > - 0 0 0 -2,-0.8 5,-2.0 1,-0.1 3,-1.5 -0.543 4.2-138.6 -79.9 125.3 50.9 55.4 18.9 13 5 L P T 3 5S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.796 100.3 39.7 -55.6 -38.0 51.4 53.6 22.2 14 6 L L T 3 5S+ 0 0 33 33,-0.4 34,-0.1 136,-0.4 -2,-0.1 0.469 130.7 24.7 -85.7 -8.8 48.4 51.2 22.2 15 7 L F T X >S+ 0 0 13 -3,-1.5 5,-2.7 32,-0.1 3,-1.4 0.583 126.3 22.3-119.7 -92.7 48.8 50.5 18.6 16 8 L E G > 5S+ 0 0 17 1,-0.3 3,-2.2 3,-0.2 -5,-0.1 0.919 123.0 55.7 -44.8 -56.3 52.0 50.7 16.5 17 9 L K G 3 - 0 0 4 -2,-0.4 3,-0.7 26,-0.1 4,-0.4 -0.341 34.9 -99.6 -91.3 165.6 43.0 49.6 14.8 23 14AL K T 3 S+ 0 0 111 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.776 113.5 29.1 -64.7 -24.1 39.9 48.6 13.1 24 14BL T T >> S+ 0 0 24 1,-0.1 3,-1.0 2,-0.1 4,-0.5 0.406 90.8 97.2-114.7 -3.4 39.6 51.0 10.1 25 14CL E H X> S+ 0 0 6 -3,-0.7 4,-1.8 1,-0.2 3,-0.9 0.742 74.5 61.8 -54.2 -41.9 43.3 51.7 9.5 26 14DL R H 3> S+ 0 0 118 -4,-0.4 4,-2.4 1,-0.3 -1,-0.2 0.691 93.6 65.2 -69.4 -14.1 43.8 49.3 6.7 27 14EL E H <> S+ 0 0 39 -3,-1.0 4,-0.6 2,-0.2 -1,-0.3 0.813 104.5 46.2 -69.1 -34.6 41.3 51.1 4.6 28 14FL L H X< S+ 0 0 0 -3,-0.9 3,-0.9 -4,-0.5 4,-0.3 0.930 112.4 48.2 -75.6 -47.9 43.7 54.0 4.7 29 14GL L H >< S+ 0 0 34 -4,-1.8 3,-1.3 1,-0.3 4,-0.4 0.896 112.2 51.3 -61.1 -36.7 46.7 51.8 3.8 30 14HL E H >X S+ 0 0 27 -4,-2.4 4,-2.1 1,-0.3 3,-1.0 0.703 94.0 69.9 -72.5 -22.8 44.7 50.2 1.0 31 14IL S T << S+ 0 0 10 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.593 89.0 66.4 -74.4 -4.9 43.7 53.5 -0.5 32 14JL Y T <4 S+ 0 0 37 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.785 116.6 24.9 -82.6 -24.1 47.3 53.9 -1.5 33 14KL I T <4 S- 0 0 137 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.1 0.558 119.1-117.3-103.6 -18.9 46.9 50.9 -3.9 34 14LL D < + 0 0 139 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.930 59.8 124.7 72.6 101.6 43.2 51.5 -4.2 35 14ML G 0 0 39 -8,-0.2 -1,-0.2 -5,-0.1 -2,-0.0 -0.932 360.0 360.0-162.0 179.2 41.1 48.6 -2.9 36 15 L R 0 0 176 -2,-0.3 -9,-0.1 -5,-0.0 -5,-0.0 -0.201 360.0 360.0 42.7 360.0 38.3 47.3 -0.5 37 !* 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 38 16 H I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 133.2 31.5 63.9 13.0 39 17 H V B +A 236 0A 5 197,-2.5 197,-1.7 1,-0.2 143,-0.1 -0.856 360.0 0.9 -96.9 130.7 28.8 62.7 10.6 40 18 H E S S+ 0 0 105 -2,-0.5 -1,-0.2 141,-0.4 194,-0.1 0.835 101.6 121.0 70.8 30.9 28.7 59.1 9.5 41 19 H G - 0 0 29 -3,-0.4 2,-0.3 159,-0.1 159,-0.2 -0.268 54.4-124.2-103.6-159.5 31.6 58.1 11.5 42 20 H S E -B 199 0B 47 157,-1.7 157,-3.0 -2,-0.1 2,-0.3 -0.896 35.7 -75.5-143.9 166.3 32.1 55.5 14.3 43 21 H D E -B 198 0B 84 -2,-0.3 155,-0.3 155,-0.2 2,-0.1 -0.525 48.9-125.5 -60.6 135.2 33.3 55.4 17.9 44 22 H A - 0 0 4 153,-3.4 2,-0.1 -2,-0.3 153,-0.1 -0.421 22.9-115.1 -70.6 149.8 37.0 55.6 18.2 45 23 H E > - 0 0 53 -2,-0.1 3,-1.6 1,-0.1 4,-0.2 -0.469 45.9 -83.9 -76.8 161.0 38.8 52.9 20.1 46 24 H I T 3 S+ 0 0 98 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.440 115.0 10.9 -66.6 128.8 40.6 54.0 23.4 47 25 H G T 3 S+ 0 0 14 -2,-0.1 -33,-0.4 104,-0.1 -1,-0.3 0.456 89.3 122.0 87.4 -1.3 44.1 55.4 22.6 48 26 H M S < S+ 0 0 1 -3,-1.6 -2,-0.1 1,-0.3 -26,-0.1 0.632 83.3 24.6 -76.8 -13.4 43.6 55.5 18.8 49 27 H S > + 0 0 10 -4,-0.2 3,-1.9 102,-0.1 -1,-0.3 -0.497 67.2 170.2-144.9 71.9 44.3 59.2 18.4 50 28 H P T 3 S+ 0 0 4 0, 0.0 103,-0.9 0, 0.0 99,-0.1 0.547 76.1 59.6 -65.5 -10.5 46.5 60.2 21.3 51 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.1 103,-0.1 104,-0.1 0.579 75.5 115.1 -97.5 -8.2 47.1 63.7 19.8 52 30 H Q E < -G 68 0C 6 -3,-1.9 49,-0.9 16,-0.2 2,-0.3 -0.388 47.4-173.3 -62.4 126.2 43.4 64.6 19.8 53 31 H V E -GH 67 100C 0 14,-1.9 14,-2.0 47,-0.2 2,-0.4 -0.941 17.1-133.6-125.4 147.2 42.9 67.5 22.1 54 32 H M E -GH 66 99C 0 45,-2.7 45,-2.4 -2,-0.3 2,-0.8 -0.922 6.3-144.7-105.1 132.0 39.7 69.2 23.3 55 33 H L E -GH 65 98C 0 10,-3.2 9,-2.9 -2,-0.4 10,-1.1 -0.840 27.2-171.8 -93.4 102.0 39.2 73.0 23.4 56 34 H F E -GH 63 97C 0 41,-2.1 41,-2.7 -2,-0.8 2,-0.3 -0.905 15.9-142.2-105.7 124.8 37.1 73.5 26.5 57 35 H R E > -GH 62 96C 67 5,-2.6 5,-1.1 -2,-0.5 39,-0.2 -0.638 8.9-143.9 -84.1 134.4 35.5 76.9 27.4 58 36 H K E 5S+G 61 0C 25 37,-2.9 3,-0.4 -2,-0.3 -1,-0.1 0.874 76.1 51.4 -61.7 -52.4 35.5 77.7 31.1 59 37 H S T 5S+ 0 0 99 1,-0.5 -1,-0.2 36,-0.3 2,-0.2 -0.861 121.5 17.2-146.4 116.6 32.1 79.6 31.5 60 37AH P T 5S- 0 0 79 0, 0.0 2,-0.6 0, 0.0 -1,-0.5 0.527 102.8-121.5 -74.2 149.4 29.8 78.4 30.5 61 38 H Q E 5 +G 58 0C 79 -3,-0.4 2,-0.4 -2,-0.2 239,-0.2 -0.460 54.2 152.0 -55.9 103.4 31.4 75.0 30.3 62 39 H E E < -G 57 0C 78 -5,-1.1 -5,-2.6 -2,-0.6 2,-0.4 -0.985 51.8-118.2-143.8 129.5 31.1 74.3 26.6 63 40 H L E +G 56 0C 30 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.635 35.8 179.6 -69.5 118.8 33.1 72.1 24.2 64 41 H L E - 0 0 17 -9,-2.9 2,-0.3 -2,-0.4 176,-0.2 0.809 49.1 -41.9 -98.4 -29.9 34.4 74.7 21.7 65 42 H b E -G 55 0C 1 -10,-1.1 -10,-3.2 176,-0.1 -1,-0.4 -0.980 55.7 -96.3-172.6-176.5 36.5 72.8 19.2 66 43 H G E +G 54 0C 2 176,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.423 35.3 177.7 -99.9-172.9 39.1 70.2 18.8 67 44 H A E -G 53 0C 0 -14,-2.0 -14,-1.9 -2,-0.1 2,-0.3 -0.904 20.5-114.5-168.3-176.7 42.8 70.6 18.5 68 45 H S E -GI 52 76C 0 8,-2.0 8,-2.7 -2,-0.3 2,-0.6 -0.993 14.9-127.0-139.3 147.1 46.1 68.5 18.2 69 46 H L E + I 0 75C 0 -18,-2.1 86,-1.9 -2,-0.3 6,-0.2 -0.801 31.0 164.4 -88.9 121.1 49.1 67.9 20.3 70 47 H I S S- 0 0 24 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.474 71.3 -3.2-107.5 -8.0 52.3 68.6 18.3 71 48 H S S S- 0 0 25 3,-1.1 -1,-0.4 82,-0.0 3,-0.4 -0.942 85.2 -86.9-169.2 163.6 54.6 68.8 21.3 72 49 H D S S+ 0 0 65 -2,-0.3 74,-2.8 1,-0.2 3,-0.1 0.623 129.5 23.4 -63.1 -12.5 54.4 68.6 25.1 73 50 H R S S+ 0 0 72 72,-0.2 69,-3.5 1,-0.1 2,-0.4 0.332 111.3 74.7-127.6 -12.5 53.8 72.3 25.1 74 51 H W E - J 0 141C 18 -3,-0.4 -4,-2.3 67,-0.2 -3,-1.1 -0.974 49.4-176.1-118.3 135.1 52.3 73.2 21.7 75 52 H V E -IJ 69 140C 0 65,-2.3 65,-1.8 -2,-0.4 2,-0.5 -0.976 15.1-145.8-126.8 129.4 48.8 72.6 20.5 76 53 H L E +IJ 68 139C 0 -8,-2.7 -8,-2.0 -2,-0.4 2,-0.2 -0.923 26.9 161.4-104.8 132.3 47.6 73.4 17.0 77 54 H T E - J 0 138C 0 61,-2.9 61,-2.1 -2,-0.5 2,-0.2 -0.771 44.8 -89.1-133.1 176.7 44.0 74.5 16.3 78 55 H A > - 0 0 0 -12,-0.4 3,-0.7 59,-0.2 59,-0.2 -0.623 38.1-131.5 -88.5 141.3 41.8 76.3 13.7 79 56 H A G >> S+ 0 0 0 -2,-0.2 3,-2.0 1,-0.2 4,-1.4 0.825 98.5 67.9 -69.6 -30.6 41.9 79.9 14.3 80 57 H H G 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.601 86.8 71.1 -75.0 1.9 38.1 80.5 14.1 81 58 H b G <4 S+ 0 0 0 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.621 114.6 25.8 -70.8 -25.3 37.7 78.5 17.3 82 59 H L T <4 S+ 0 0 1 -3,-2.0 9,-2.8 1,-0.1 2,-0.2 0.541 131.1 35.3-109.0 -35.7 39.3 81.5 19.0 83 60 H L E < +M 90 0D 40 -4,-1.4 7,-0.2 7,-0.2 -1,-0.1 -0.677 57.4 140.3-139.0 82.8 38.5 84.4 16.7 84 60AH Y E > > -M 89 0D 0 5,-1.9 5,-1.4 -2,-0.2 3,-0.8 -0.821 19.5-178.0-126.8 86.0 35.2 84.6 14.8 85 60BH P G > 5S+ 0 0 43 0, 0.0 3,-3.0 0, 0.0 -1,-0.1 0.849 76.9 67.4 -52.0 -40.2 33.9 88.2 14.7 86 60CH P G 3 5S+ 0 0 47 0, 0.0 -2,-0.0 0, 0.0 44,-0.0 0.884 113.6 33.6 -54.4 -29.0 30.7 87.4 12.8 87 60DH W G < 5S- 0 0 119 -3,-0.8 -3,-0.1 2,-0.1 0, 0.0 0.118 118.3-111.4-112.0 31.0 29.6 85.5 15.8 88 60EH D T < 5 + 0 0 157 -3,-3.0 2,-0.6 1,-0.2 -5,-0.0 0.956 63.0 156.4 48.1 52.3 31.3 87.7 18.3 89 60FH K E < +M 84 0D 40 -5,-1.4 -5,-1.9 2,-0.0 2,-0.2 -0.971 3.8 149.0-119.2 103.7 33.8 85.1 19.2 90 60GH N E -M 83 0D 111 -2,-0.6 2,-0.2 -7,-0.2 -7,-0.2 -0.706 21.9-168.4-141.7 95.1 37.1 86.3 20.7 91 60HH F - 0 0 25 -9,-2.8 2,-0.3 -2,-0.2 -9,-0.1 -0.566 6.7-157.1 -93.1 149.5 38.9 84.2 23.2 92 60IH T >> - 0 0 62 -2,-0.2 3,-2.6 28,-0.0 4,-0.5 -0.841 39.6 -98.0-118.3 150.9 41.8 85.1 25.4 93 61 H E T 34 S+ 0 0 44 -2,-0.3 25,-0.8 1,-0.3 3,-0.2 0.584 120.7 52.2 -43.0 -25.2 44.2 82.6 26.9 94 62 H N T 34 S+ 0 0 102 1,-0.2 -1,-0.3 23,-0.1 25,-0.0 0.356 94.9 67.7-107.6 18.5 42.4 82.6 30.2 95 63 H D T <4 S+ 0 0 55 -3,-2.6 -37,-2.9 -37,-0.1 -36,-0.3 0.636 100.0 48.7 -92.7 -31.8 38.9 81.8 29.0 96 64 H L E < -H 57 0C 2 -4,-0.5 22,-0.4 -39,-0.2 2,-0.3 -0.773 61.3-155.0-113.8 169.4 39.6 78.4 27.8 97 65 H L E -H 56 0C 0 -41,-2.7 -41,-2.1 -2,-0.3 2,-0.4 -0.831 17.8-132.3-134.5 159.6 41.2 75.2 29.1 98 66 H V E -HK 55 116C 0 18,-2.4 18,-3.5 -2,-0.3 2,-0.5 -0.997 14.7-163.0-122.1 120.1 42.8 72.3 27.0 99 67 H R E -HK 54 115C 0 -45,-2.4 -45,-2.7 -2,-0.4 2,-0.5 -0.962 11.8-173.2-108.8 117.5 41.8 68.8 28.0 100 68 H I E +HK 53 114C 0 14,-2.9 14,-2.9 -2,-0.5 -47,-0.2 -0.975 60.8 33.2-116.8 125.7 44.2 66.2 26.5 101 69 H G S S+ 0 0 9 -49,-0.9 -1,-0.1 -2,-0.5 -48,-0.1 0.480 79.9 155.1 114.1 8.1 43.7 62.4 26.7 102 70 H K + 0 0 13 -50,-0.2 -1,-0.2 -3,-0.2 -55,-0.1 -0.330 25.4 164.0 -81.7 147.5 40.0 62.3 26.4 103 71 H H + 0 0 40 1,-0.2 94,-2.7 -2,-0.1 -1,-0.1 0.698 69.3 58.4-117.1 -56.4 37.7 59.5 25.2 104 72 H S B S-N 196 0E 11 92,-0.2 92,-0.3 1,-0.1 -1,-0.2 -0.389 77.5-136.3 -72.5 146.8 34.3 60.5 26.5 105 73 H R S S+ 0 0 9 90,-2.0 91,-0.1 89,-0.2 -1,-0.1 0.866 98.1 15.7 -74.5 -41.0 32.9 64.0 25.4 106 74 H T S S+ 0 0 20 89,-0.4 195,-2.3 193,-0.1 -1,-0.1 0.618 98.6 104.2-109.5 -28.6 31.6 65.0 28.8 107 75 H R - 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