==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 17-MAR-95 1AHT . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.CHEN . 289 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 60.2 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 . 75 26.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 20 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.7 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 0 2 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 . 4 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 1CL E 0 0 114 0, 0.0 62,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 164.5 15.6 16.7 21.3 2 1BL A + 0 0 86 1,-0.2 146,-0.0 146,-0.0 0, 0.0 0.919 360.0 8.7 -54.5 -57.5 13.6 19.9 20.4 3 1AL D S > S+ 0 0 60 144,-0.1 3,-1.2 2,-0.0 -1,-0.2 0.273 97.1 141.1-110.7 7.6 10.3 18.6 19.1 4 1 L a T 3 + 0 0 3 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.055 60.9 15.6 -57.4 147.5 10.9 14.9 20.1 5 2 L G T 3 S+ 0 0 0 141,-2.7 237,-1.2 236,-0.2 2,-0.7 0.473 90.1 113.4 71.3 3.5 8.1 12.7 21.5 6 3 L L < - 0 0 37 -3,-1.2 -1,-0.2 140,-0.3 235,-0.1 -0.944 62.3-141.4-109.5 107.0 5.2 14.9 20.4 7 4 L R > > - 0 0 0 -2,-0.7 5,-2.1 1,-0.1 3,-1.4 -0.563 5.1-140.4 -74.2 128.4 3.2 13.0 17.8 8 5 L P T 3 5S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.894 103.4 42.8 -52.6 -43.6 1.8 15.1 14.9 9 6 L L T 3 5S+ 0 0 30 133,-0.5 31,-0.1 30,-0.3 133,-0.0 0.485 130.4 18.8 -86.3 -1.5 -1.4 13.1 14.8 10 7 L F T X>>S+ 0 0 14 -3,-1.4 5,-2.7 29,-0.1 3,-1.4 0.459 125.5 28.0-128.7 -83.6 -1.9 13.0 18.6 11 8 L E G >45S+ 0 0 29 1,-0.3 3,-1.4 3,-0.2 -5,-0.1 0.892 119.5 54.2 -55.4 -43.6 -0.2 15.3 21.1 12 9 L K G 34> S+ 0 0 24 2,-0.1 3,-1.8 1,-0.1 4,-0.7 0.457 85.7 101.3-125.6 2.8 -4.7 2.9 25.3 20 14CL E H 3> S+ 0 0 4 -3,-0.4 4,-2.1 1,-0.3 3,-0.4 0.786 76.5 66.5 -59.2 -25.3 -2.3 5.6 26.4 21 14DL R H 3> S+ 0 0 104 -4,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.835 92.1 63.1 -62.4 -31.9 -4.5 6.3 29.5 22 14EL E H <> S+ 0 0 35 -3,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.900 105.7 44.6 -58.6 -42.6 -3.5 2.8 30.6 23 14FL L H >X S+ 0 0 0 -4,-0.7 3,-1.5 -3,-0.4 4,-0.7 0.963 113.9 48.0 -65.3 -53.4 0.1 3.9 30.9 24 14GL L H >< S+ 0 0 53 -4,-2.1 3,-0.9 1,-0.3 -2,-0.2 0.857 107.6 57.1 -59.7 -33.6 -0.7 7.2 32.6 25 14HL E H 3< S+ 0 0 154 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.673 101.5 56.7 -73.6 -14.8 -2.9 5.4 35.1 26 14IL S H << S+ 0 0 18 -3,-1.5 2,-2.2 -4,-0.5 -1,-0.2 0.627 81.3 91.8 -89.0 -12.8 -0.1 3.2 36.2 27 14JL Y << 0 0 29 -3,-0.9 -1,-0.2 -4,-0.7 136,-0.1 -0.435 360.0 360.0 -82.8 68.2 2.2 6.1 37.1 28 14KL I 0 0 182 -2,-2.2 -1,-0.2 -3,-0.0 -2,-0.1 0.946 360.0 360.0 -83.3 360.0 1.1 6.3 40.7 29 !* 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 30 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 129.6 4.1 -9.0 19.6 31 17 H V B -A 222 0A 11 191,-3.0 191,-1.3 1,-0.2 143,-0.1 -0.901 360.0 -0.2-103.9 129.5 2.0 -11.6 21.3 32 18 H E S S+ 0 0 132 -2,-0.5 -1,-0.2 141,-0.4 188,-0.2 0.849 100.3 121.3 63.4 35.5 -1.4 -10.6 22.6 33 19 H G - 0 0 27 -3,-0.3 2,-0.3 153,-0.1 153,-0.2 -0.374 54.6-122.3-108.4-164.7 -1.2 -7.0 21.5 34 20 H S E -B 185 0B 53 151,-2.3 151,-2.5 -2,-0.1 2,-0.1 -0.846 35.9 -73.0-136.7 171.4 -3.5 -5.1 19.1 35 21 H D E -B 184 0B 92 -2,-0.3 149,-0.2 149,-0.2 2,-0.1 -0.430 52.4-122.7 -64.1 138.7 -3.3 -3.2 15.8 36 22 H A - 0 0 6 147,-3.0 2,-0.1 59,-0.1 -1,-0.1 -0.474 23.5-113.3 -80.3 155.2 -1.6 0.1 16.2 37 23 H E > - 0 0 58 -2,-0.1 3,-1.7 1,-0.1 4,-0.3 -0.490 45.4 -85.6 -80.7 159.8 -3.5 3.3 15.2 38 24 H I T 3 S+ 0 0 100 1,-0.3 -1,-0.1 -2,-0.1 57,-0.1 -0.452 116.1 11.5 -68.1 139.2 -2.1 5.2 12.3 39 25 H G T 3 S+ 0 0 12 55,-0.1 -30,-0.3 104,-0.1 -1,-0.3 0.534 90.4 125.6 70.9 8.4 0.7 7.6 13.4 40 26 H M S < S+ 0 0 2 -3,-1.7 -2,-0.1 1,-0.3 -33,-0.1 0.801 82.7 20.9 -67.4 -34.1 0.8 6.0 16.9 41 27 H S > + 0 0 11 -4,-0.3 3,-2.5 102,-0.1 -1,-0.3 -0.560 68.4 169.8-134.4 72.8 4.6 5.3 16.8 42 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.569 77.8 58.5 -64.3 -7.6 6.1 7.7 14.3 43 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.7 103,-0.1 104,-0.1 0.468 76.5 118.3 -97.3 -6.4 9.5 6.8 15.4 44 30 H Q E < -J 60 0C 4 -3,-2.5 49,-0.8 16,-0.2 50,-0.3 -0.412 45.4-170.2 -64.1 132.7 9.1 3.0 14.7 45 31 H V E -JK 59 92C 0 14,-2.3 14,-1.3 47,-0.1 2,-0.5 -0.917 15.5-140.7-124.7 150.1 11.6 1.9 12.1 46 32 H M E -JK 58 91C 0 45,-2.2 45,-2.6 -2,-0.3 2,-0.7 -0.956 9.9-144.6-112.7 128.5 11.8 -1.4 10.2 47 33 H L E -JK 57 90C 0 10,-3.3 9,-2.7 -2,-0.5 10,-0.9 -0.858 27.1-168.3 -90.6 120.3 15.2 -2.9 9.5 48 34 H F E -JK 55 89C 0 41,-3.2 41,-2.5 -2,-0.7 2,-0.4 -0.930 16.8-140.0-121.2 131.2 14.9 -4.5 6.1 49 35 H R E > -JK 54 88C 73 5,-2.9 5,-1.2 -2,-0.4 39,-0.2 -0.685 6.6-150.8 -86.3 137.8 17.3 -6.9 4.4 50 36 H K T 5S+ 0 0 31 37,-1.8 3,-0.3 -2,-0.4 -1,-0.1 0.945 77.7 54.1 -72.5 -50.5 17.9 -6.4 0.7 51 36AH S T 5S+ 0 0 99 1,-0.4 -1,-0.2 36,-0.3 2,-0.1 -0.928 123.0 17.3-138.7 110.4 18.6 -10.0 -0.4 52 37 H P T 5S- 0 0 77 0, 0.0 2,-0.5 0, 0.0 -1,-0.4 0.584 104.2-126.6 -73.5 151.1 16.5 -11.9 0.4 53 38 H Q T 5 + 0 0 64 -3,-0.3 2,-0.3 -2,-0.1 231,-0.3 -0.541 57.9 128.7 -67.9 117.5 14.0 -9.1 1.0 54 39 H E E < -J 49 0C 66 -5,-1.2 -5,-2.9 -2,-0.5 2,-0.4 -0.991 63.1 -88.0-165.6 162.8 12.8 -9.6 4.5 55 40 H L E +J 48 0C 34 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.647 37.7 170.4 -79.1 127.9 12.2 -8.1 8.0 56 41 H L E - 0 0 28 -9,-2.7 2,-0.3 -2,-0.4 170,-0.2 0.831 57.4 -36.9 -99.8 -55.0 15.2 -8.4 10.2 57 42 H b E -J 47 0C 7 -10,-0.9 -10,-3.3 170,-0.1 -1,-0.4 -0.933 54.4 -98.2-160.3 173.4 14.3 -6.2 13.3 58 43 H G E +J 46 0C 2 170,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.444 38.3 171.7 -92.8 176.2 12.6 -3.1 14.6 59 44 H A E -J 45 0C 0 -14,-1.3 -14,-2.3 -2,-0.2 2,-0.3 -0.913 22.4-119.3-167.6-178.0 14.5 0.1 15.4 60 45 H S E -JL 44 68C 0 8,-2.0 8,-2.7 -2,-0.3 2,-0.6 -0.994 13.4-126.0-142.9 148.9 13.7 3.7 16.3 61 46 H L E + L 0 67C 0 -18,-1.7 86,-2.1 -2,-0.3 6,-0.2 -0.842 28.1 169.4 -95.7 121.8 14.3 7.2 14.9 62 47 H I - 0 0 11 4,-2.2 2,-0.3 -2,-0.6 5,-0.1 0.488 69.3 -6.2-109.2 -9.0 16.0 9.5 17.4 63 48 H S S S- 0 0 23 3,-1.0 -1,-0.2 85,-0.1 3,-0.1 -0.930 88.6 -80.4-164.7-178.2 16.8 12.4 15.0 64 49 H D S S+ 0 0 75 -2,-0.3 74,-1.9 1,-0.2 72,-0.1 0.660 129.0 26.3 -70.7 -9.9 16.6 13.1 11.3 65 50 H R S S+ 0 0 36 72,-0.2 69,-2.9 1,-0.1 2,-0.4 0.483 108.2 76.1-130.5 -6.1 19.8 11.2 10.7 66 51 H W E - M 0 133C 6 67,-0.2 -4,-2.2 -3,-0.1 -3,-1.0 -0.924 48.1-170.2-121.5 138.9 20.2 8.6 13.5 67 52 H V E -LM 61 132C 0 65,-2.6 65,-2.4 -2,-0.4 2,-0.4 -0.965 10.8-151.0-125.2 135.7 18.5 5.3 14.2 68 53 H L E +LM 60 131C 0 -8,-2.7 -8,-2.0 -2,-0.4 2,-0.2 -0.895 29.0 144.1-109.4 136.5 18.7 3.2 17.4 69 54 H T E - M 0 130C 0 61,-2.2 61,-1.9 -2,-0.4 2,-0.4 -0.822 51.9 -72.5-152.3-175.3 18.4 -0.6 17.5 70 55 H A > - 0 0 0 -12,-0.4 3,-1.6 59,-0.2 4,-0.4 -0.785 33.7-135.4 -91.0 135.9 19.8 -3.7 19.3 71 56 H A G >> S+ 0 0 0 -2,-0.4 4,-3.1 1,-0.3 3,-1.6 0.834 102.0 65.8 -58.9 -31.6 23.4 -4.8 18.4 72 57 H H G 34 S+ 0 0 23 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.695 88.5 67.4 -67.3 -16.7 22.3 -8.4 18.1 73 58 H b G <4 S+ 0 0 2 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.786 116.7 25.6 -70.7 -27.9 20.2 -7.5 15.1 74 59 H L T <4 S+ 0 0 0 -3,-1.6 9,-2.5 -4,-0.4 2,-0.5 0.793 128.7 35.2-103.7 -37.7 23.4 -6.8 13.2 75 60 H L E < +P 82 0D 36 -4,-3.1 -1,-0.3 7,-0.2 7,-0.2 -0.966 52.1 139.0-133.4 118.6 26.0 -8.9 15.0 76 60AH Y E > > -P 81 0D 53 5,-2.7 3,-2.4 -2,-0.5 5,-1.7 -0.512 22.7-172.3-153.9 78.2 25.6 -12.4 16.5 77 60BH P G > 5S+ 0 0 43 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.733 79.6 68.1 -45.0 -37.9 28.7 -14.6 15.7 78 60CH P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.767 111.6 35.1 -56.9 -26.6 27.2 -17.8 17.1 79 60DH W G < 5S- 0 0 179 -3,-2.4 3,-0.1 2,-0.1 -3,-0.0 0.025 117.7-113.2-112.0 22.3 24.7 -17.7 14.2 80 60EH D T < 5 + 0 0 152 -3,-2.3 2,-0.5 1,-0.2 -5,-0.0 0.733 64.9 152.9 50.8 28.6 27.2 -16.3 11.8 81 60FH K E < +P 76 0D 48 -5,-1.7 -5,-2.7 -9,-0.1 -1,-0.2 -0.776 5.3 144.8 -92.4 124.0 25.3 -13.0 11.6 82 60GH N E -P 75 0D 106 -2,-0.5 2,-0.2 -7,-0.2 -7,-0.2 -0.545 24.0-172.2-157.7 82.8 27.3 -9.9 10.8 83 60HH F - 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