==== 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 26-MAY-94 1TMT . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.P.PRIESTLE,M.G.GRUETTER . 296 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 60.1 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 . 78 26.4 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 . 1 0.3 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 . 17 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.5 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 0 1 2 0 0 1 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 . 5 4 0 4 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 0 1 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 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.0 87.3 15.6 19.0 2 1AL D > + 0 0 64 143,-0.1 3,-1.3 2,-0.0 144,-0.1 0.305 360.0 136.5-105.4 3.5 84.2 17.6 18.4 3 1 L a T 3 + 0 0 33 1,-0.2 142,-0.2 142,-0.1 143,-0.1 -0.038 64.1 23.3 -50.3 155.1 84.7 20.3 21.0 4 2 L G T 3 S+ 0 0 0 140,-2.4 242,-1.2 1,-0.1 2,-0.7 0.452 87.0 112.7 69.9 1.9 83.9 23.8 20.0 5 3 L L < - 0 0 26 -3,-1.3 -1,-0.1 139,-0.3 240,-0.1 -0.937 61.2-139.8-108.1 117.7 81.6 23.2 17.2 6 4 L R > > - 0 0 0 -2,-0.7 5,-2.2 1,-0.1 3,-1.6 -0.641 4.5-141.1 -80.3 129.1 78.1 24.4 18.0 7 5 L P T 3 5S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.803 102.2 40.0 -52.7 -37.0 75.3 22.1 16.7 8 6 L L T 3 5S+ 0 0 30 132,-0.4 30,-0.1 29,-0.3 -2,-0.1 0.403 129.8 25.3 -96.2 1.3 73.0 25.0 15.7 9 7 L F T X >S+ 0 0 15 -3,-1.6 5,-2.2 28,-0.1 3,-2.2 0.375 127.5 23.0-122.4 -94.6 75.7 27.1 14.3 10 8 L E G > 5S+ 0 0 12 1,-0.3 3,-1.7 3,-0.2 -5,-0.1 0.826 120.1 56.7 -46.3 -48.9 78.9 25.7 13.0 11 9 L K G 3 - 0 0 7 -2,-0.4 3,-0.5 1,-0.1 4,-0.5 -0.360 34.7 -98.3 -80.4 166.3 75.5 34.0 15.3 17 14AL K T 3 S+ 0 0 99 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.779 118.7 22.8 -53.9 -34.0 74.5 37.6 15.4 18 14BL T T >> S+ 0 0 33 1,-0.1 3,-1.3 2,-0.1 4,-0.9 0.450 89.0 107.5-117.4 3.9 77.9 39.0 16.7 19 14CL E H X> S+ 0 0 10 -3,-0.5 4,-1.3 1,-0.3 3,-1.1 0.879 74.4 57.5 -44.1 -52.7 80.2 36.3 15.5 20 14DL R H 3> S+ 0 0 146 -4,-0.5 4,-2.7 1,-0.3 -1,-0.3 0.786 96.0 62.3 -57.8 -31.1 81.8 38.3 12.8 21 14EL E H <> S+ 0 0 62 -3,-1.3 4,-1.5 2,-0.2 -1,-0.3 0.867 100.8 54.9 -66.0 -31.0 83.0 41.1 15.0 22 14FL L H X< S+ 0 0 0 -3,-1.1 3,-0.9 -4,-0.9 140,-0.5 0.997 111.7 42.4 -61.1 -58.0 85.1 38.7 16.8 23 14GL L H >< S+ 0 0 51 -4,-1.3 3,-1.6 1,-0.2 -2,-0.2 0.842 107.2 62.3 -55.6 -37.6 86.8 37.6 13.4 24 14HL E H 3< S+ 0 0 152 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.899 100.5 54.2 -57.1 -38.3 87.1 41.3 12.3 25 14IL S T << 0 0 30 -4,-1.5 -1,-0.3 -3,-0.9 -2,-0.2 0.636 360.0 360.0 -70.7 -14.8 89.3 41.9 15.2 26 14JL Y < 0 0 56 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.778 360.0 360.0 -85.4 360.0 91.7 39.1 14.2 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 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.3 77.0 41.0 32.3 29 17 H V B -A 226 0A 10 197,-2.4 197,-1.5 1,-0.2 143,-0.1 -0.799 360.0 -0.7 -97.1 133.6 76.8 44.8 31.9 30 18 H E S S+ 0 0 120 141,-0.4 -1,-0.2 -2,-0.4 2,-0.1 0.875 100.5 122.7 57.7 39.9 75.9 46.3 28.5 31 19 H G - 0 0 29 -3,-0.4 2,-0.3 159,-0.1 159,-0.2 -0.125 54.7-124.5-105.3-157.1 75.6 42.9 26.8 32 20 H S E -B 189 0B 52 157,-2.0 157,-1.9 -2,-0.1 2,-0.1 -0.952 36.3 -72.2-150.9 164.2 72.6 41.5 25.0 33 21 H D E -B 188 0B 92 -2,-0.3 155,-0.2 155,-0.2 154,-0.1 -0.425 53.0-121.6 -64.3 137.9 70.4 38.4 25.2 34 22 H A - 0 0 6 153,-2.9 2,-0.2 59,-0.1 -1,-0.1 -0.268 23.9-116.0 -71.6 163.2 72.2 35.4 24.0 35 23 H E > - 0 0 59 1,-0.1 3,-1.7 153,-0.0 4,-0.3 -0.649 43.9 -83.0 -94.8 155.9 70.7 33.4 21.1 36 24 H I T 3 S+ 0 0 100 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.350 114.2 6.2 -62.5 141.2 69.6 29.9 21.6 37 25 H G T 3 S+ 0 0 11 2,-0.1 -29,-0.3 1,-0.1 -1,-0.3 0.505 90.5 124.6 67.2 2.7 72.4 27.3 21.4 38 26 H M S < S+ 0 0 2 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.752 86.8 18.7 -61.4 -30.6 75.0 30.2 21.1 39 27 H S > + 0 0 11 -4,-0.3 3,-2.6 102,-0.1 -1,-0.3 -0.488 67.1 167.9-141.9 62.7 77.0 28.8 24.1 40 28 H P T 3 S+ 0 0 4 0, 0.0 103,-1.7 0, 0.0 99,-0.1 0.430 76.7 64.3 -61.0 1.1 76.0 25.2 24.7 41 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.9 103,-0.1 2,-0.3 0.421 72.7 114.7-102.0 -5.0 79.0 25.0 27.0 42 30 H Q E < -K 58 0C 3 -3,-2.6 49,-0.9 16,-0.2 50,-0.4 -0.535 47.4-171.7 -68.8 127.4 77.6 27.5 29.5 43 31 H V E -KL 57 90C 0 14,-1.7 14,-1.4 -2,-0.3 2,-0.5 -0.879 16.3-136.8-122.1 154.3 76.8 25.8 32.8 44 32 H M E -KL 56 89C 0 45,-2.1 45,-1.8 -2,-0.3 2,-0.8 -0.952 6.3-146.8-115.4 125.9 75.1 27.1 35.9 45 33 H L E -KL 55 88C 1 10,-2.7 9,-2.6 -2,-0.5 10,-1.1 -0.849 29.1-173.8 -88.3 112.7 76.4 26.4 39.4 46 34 H F E -KL 53 87C 0 41,-2.8 41,-1.5 -2,-0.8 2,-0.3 -0.946 19.0-134.1-114.9 127.5 73.1 26.1 41.4 47 35 H R E > -KL 52 86C 61 5,-3.2 5,-0.7 -2,-0.5 39,-0.2 -0.583 4.1-147.5 -83.8 136.3 72.9 25.8 45.1 48 36 H K T 5S+ 0 0 43 37,-2.0 3,-0.2 -2,-0.3 -1,-0.1 0.923 79.9 49.3 -63.0 -45.3 70.5 23.2 46.6 49 36AH S T 5S+ 0 0 94 36,-0.5 -1,-0.2 1,-0.4 2,-0.2 -0.870 121.7 15.1-155.4 119.6 69.6 25.2 49.7 50 37 H P T 5S- 0 0 84 0, 0.0 -1,-0.4 0, 0.0 -3,-0.1 0.585 102.9-116.1 -72.8 159.3 68.9 27.8 49.7 51 38 H Q T 5 + 0 0 63 -3,-0.2 2,-0.3 -2,-0.2 -3,-0.2 -0.391 56.1 153.2 -54.1 132.4 68.2 27.8 45.9 52 39 H E E < -K 47 0C 81 -5,-0.7 -5,-3.2 -2,-0.1 2,-0.8 -0.949 53.6-119.3-166.7 144.9 70.8 30.3 44.5 53 40 H L E +K 46 0C 34 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.821 36.7 177.7 -86.0 111.1 72.7 31.0 41.3 54 41 H L E - 0 0 22 -9,-2.6 2,-0.3 -2,-0.8 -1,-0.2 0.926 49.3 -47.6 -83.6 -53.9 76.2 30.6 42.6 55 42 H b E -K 45 0C 5 -10,-1.1 -10,-2.7 176,-0.1 -1,-0.3 -0.970 55.0 -86.7-167.7 178.6 78.3 31.2 39.5 56 43 H G E +K 44 0C 3 176,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.472 40.7 175.3 -95.3 169.6 78.9 30.3 35.9 57 44 H A E -K 43 0C 0 -14,-1.4 -14,-1.7 -2,-0.2 2,-0.3 -0.900 20.5-120.6-158.8-175.2 80.9 27.4 34.6 58 45 H S E -KM 42 66C 0 8,-1.7 8,-2.5 -2,-0.3 2,-0.6 -1.000 13.7-127.8-146.5 143.9 81.9 25.6 31.5 59 46 H L E + M 0 65C 0 -18,-1.9 86,-2.3 -2,-0.3 6,-0.2 -0.802 28.3 168.3 -92.5 114.9 81.5 22.1 30.0 60 47 H I - 0 0 20 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.489 68.6 -15.0-103.7 -8.1 84.9 20.7 28.8 61 48 H S S S- 0 0 36 3,-1.0 3,-0.3 85,-0.1 -1,-0.2 -0.959 89.2 -71.5-175.3-179.3 83.8 17.1 28.2 62 49 H D S S+ 0 0 51 -2,-0.3 74,-2.6 1,-0.2 72,-0.1 0.616 129.9 23.4 -70.3 -5.5 80.9 14.8 29.0 63 50 H R S S+ 0 0 105 72,-0.2 69,-3.5 1,-0.1 2,-0.4 0.444 108.9 76.8-134.3 0.2 82.0 14.6 32.8 64 51 H W E - N 0 131C 9 -3,-0.3 -4,-2.1 67,-0.2 -3,-1.0 -0.944 46.3-172.9-123.6 141.1 84.0 17.7 33.6 65 52 H V E -MN 59 130C 0 65,-2.0 65,-1.8 -2,-0.4 2,-0.4 -0.947 13.0-148.1-127.6 144.7 83.2 21.3 34.3 66 53 H L E +MN 58 129C 0 -8,-2.5 -8,-1.7 -2,-0.4 2,-0.3 -0.902 29.6 149.0-111.1 140.9 85.7 24.1 34.7 67 54 H T E - N 0 128C 0 61,-2.9 61,-2.1 -2,-0.4 2,-0.3 -0.919 48.4 -73.5-156.5-179.9 85.0 27.0 37.0 68 55 H A > - 0 0 0 -12,-0.4 3,-1.6 -2,-0.3 4,-0.4 -0.635 34.9-133.6 -83.8 139.3 86.6 29.6 39.2 69 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.3 3,-2.1 0.896 102.4 63.2 -60.7 -40.7 87.9 28.4 42.5 70 57 H H G 34 S+ 0 0 3 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.590 88.2 72.1 -64.1 -6.2 86.4 31.3 44.5 71 58 H b G <4 S+ 0 0 1 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.792 115.7 21.9 -74.2 -28.0 83.0 30.0 43.4 72 59 H L T <4 S+ 0 0 3 -3,-2.1 9,-2.1 -4,-0.4 2,-0.4 0.649 131.7 36.0-107.3 -28.2 83.6 27.1 45.8 73 60 H L E < +Q 80 0D 38 -4,-2.4 -1,-0.2 7,-0.2 7,-0.2 -0.897 55.7 132.9-142.5 113.0 86.2 28.4 48.2 74 60AH Y E > > -Q 79 0D 16 5,-2.7 3,-2.2 -2,-0.4 5,-1.6 -0.532 27.3-167.1-156.2 82.3 86.5 31.9 49.5 75 60BH P G > 5S+ 0 0 56 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.706 80.0 67.8 -42.9 -34.7 87.1 32.2 53.3 76 60CH P G 3 5S+ 0 0 72 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.695 112.4 31.2 -66.5 -17.4 86.5 35.9 53.5 77 60DH W G < 5S- 0 0 133 -3,-2.2 0, 0.0 2,-0.1 0, 0.0 0.187 120.7-106.1-122.3 13.2 83.0 35.6 52.7 78 60EH D T < 5 + 0 0 147 -3,-1.7 2,-0.6 1,-0.2 -5,-0.0 0.770 63.0 152.7 71.8 31.9 82.6 32.3 54.3 79 60FH K E < +Q 74 0D 49 -5,-1.6 -5,-2.7 1,-0.1 -1,-0.2 -0.879 8.1 142.3-105.9 128.1 82.4 30.0 51.3 80 60GH N E -Q 73 0D 125 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.576 28.6-177.7-151.4 68.9 83.5 26.5 51.6 81 60HH F - 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