==== 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 06-APR-95 1HBT . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.H.REHSE,M.CYGLER . 292 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 61.0 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 26.7 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 . 2 0.7 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 . 23 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 8.6 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 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 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 1BL A 0 0 119 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -63.6 13.5 49.9 20.1 2 1AL D > + 0 0 66 144,-0.0 3,-1.3 2,-0.0 145,-0.1 0.101 360.0 144.7-102.1 18.4 10.0 48.7 18.9 3 1 L a T 3 + 0 0 29 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.198 60.4 14.4 -59.8 145.9 10.9 45.1 19.9 4 2 L G T 3 S+ 0 0 0 141,-2.7 236,-1.4 235,-0.2 2,-0.6 0.509 92.3 113.6 70.2 6.1 8.3 42.8 21.2 5 3 L L < - 0 0 39 -3,-1.3 -1,-0.2 140,-0.3 234,-0.1 -0.950 61.4-140.9-110.6 111.4 5.3 45.0 20.2 6 4 L R > > - 0 0 0 -2,-0.6 5,-2.2 1,-0.1 3,-1.7 -0.582 6.0-140.4 -79.8 129.5 3.3 43.1 17.5 7 5 L P T 3 5S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.864 103.6 43.4 -51.2 -42.3 1.8 45.1 14.6 8 6 L L T 3 5S+ 0 0 31 133,-0.5 31,-0.1 30,-0.3 -2,-0.0 0.496 130.9 16.3 -87.2 -1.8 -1.4 43.1 14.7 9 7 L F T X>>S+ 0 0 16 -3,-1.7 5,-2.8 29,-0.1 3,-1.4 0.477 127.4 29.7-130.7 -81.6 -1.9 43.1 18.4 10 8 L E G >45S+ 0 0 23 1,-0.3 3,-1.1 3,-0.2 -5,-0.1 0.897 120.1 54.0 -54.5 -42.8 -0.0 45.4 20.8 11 9 L K G 34 - 0 0 5 -2,-0.3 3,-0.7 23,-0.1 4,-0.4 -0.406 37.2 -96.4 -77.6 165.0 -4.5 37.3 21.2 17 14AL K T 3 S+ 0 0 174 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.656 114.7 23.6 -56.4 -22.9 -6.7 34.5 22.4 18 14BL T T >> S+ 0 0 44 2,-0.1 3,-1.3 1,-0.1 4,-0.8 0.469 85.0 101.2-128.6 6.9 -4.4 33.1 25.1 19 14CL E H <> S+ 0 0 3 -3,-0.7 4,-1.9 1,-0.3 3,-0.4 0.781 77.4 66.4 -64.6 -22.7 -2.1 35.9 26.3 20 14DL R H 3> S+ 0 0 154 -4,-0.4 4,-3.0 1,-0.2 -1,-0.3 0.852 91.8 61.7 -63.8 -35.8 -4.3 36.5 29.4 21 14EL E H <> S+ 0 0 56 -3,-1.3 4,-0.7 2,-0.2 -1,-0.2 0.884 105.6 48.2 -57.8 -36.7 -3.3 33.0 30.7 22 14FL L H >X S+ 0 0 0 -4,-0.8 3,-1.2 -3,-0.4 4,-0.6 0.971 112.9 45.2 -68.9 -52.9 0.3 34.3 30.8 23 14GL L H >< S+ 0 0 50 -4,-1.9 3,-1.5 1,-0.3 -2,-0.2 0.901 108.3 57.7 -59.1 -39.4 -0.5 37.5 32.6 24 14HL E H 3< S+ 0 0 139 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.746 103.1 55.6 -65.5 -18.6 -2.8 35.8 35.1 25 14IL S H << S+ 0 0 16 -3,-1.2 2,-1.9 -4,-0.7 -1,-0.3 0.612 83.0 87.3 -88.8 -11.2 0.2 33.5 36.0 26 14JL Y << 0 0 26 -3,-1.5 -1,-0.2 -4,-0.6 136,-0.1 -0.461 360.0 360.0 -87.0 66.1 2.5 36.4 36.9 27 14KL I 0 0 170 -2,-1.9 -2,-0.0 -3,-0.1 135,-0.0 -0.424 360.0 360.0 -78.0 360.0 1.2 36.6 40.5 28 !* 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 29 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 131.1 4.3 21.2 19.6 30 17 H V B +A 220 0A 11 190,-2.7 190,-1.5 1,-0.2 143,-0.1 -0.899 360.0 0.6-105.9 129.6 2.2 18.6 21.6 31 18 H E S S+ 0 0 133 -2,-0.5 -1,-0.2 141,-0.4 187,-0.1 0.820 101.6 124.0 65.7 32.8 -1.2 19.6 22.8 32 19 H G - 0 0 30 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.217 52.1-125.6-102.2-160.3 -1.0 23.1 21.3 33 20 H S E -B 183 0B 60 150,-1.8 150,-2.2 -2,-0.1 2,-0.1 -0.940 35.5 -74.6-146.5 163.1 -3.2 25.0 18.9 34 21 H D E -B 182 0B 99 -2,-0.3 148,-0.2 148,-0.2 2,-0.1 -0.394 54.2-120.0 -59.5 135.4 -3.0 26.8 15.5 35 22 H A - 0 0 6 146,-3.0 2,-0.2 59,-0.1 -1,-0.1 -0.425 24.8-112.8 -74.2 153.7 -1.4 30.1 16.0 36 23 H E > - 0 0 48 1,-0.1 3,-1.7 -2,-0.1 4,-0.3 -0.499 47.5 -82.9 -81.0 157.7 -3.3 33.2 15.1 37 24 H I T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.430 115.3 5.8 -63.5 132.7 -2.0 35.2 12.1 38 25 H G T 3 S+ 0 0 12 -2,-0.1 -30,-0.3 104,-0.1 -1,-0.3 0.571 91.4 124.4 70.1 11.5 0.8 37.6 13.2 39 26 H M S < S+ 0 0 6 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.772 83.5 25.6 -72.1 -24.9 0.8 36.2 16.7 40 27 H S > + 0 0 14 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.476 68.8 164.5-141.1 65.8 4.5 35.3 16.6 41 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.4 0, 0.0 51,-0.1 0.572 75.6 60.1 -61.7 -13.3 6.1 37.7 14.1 42 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.3 103,-0.1 2,-0.2 0.497 77.6 120.0 -92.2 -3.8 9.6 36.9 15.3 43 30 H Q E < -J 59 0C 4 -3,-2.3 49,-0.9 16,-0.2 2,-0.4 -0.405 43.8-171.7 -67.4 128.4 9.2 33.2 14.5 44 31 H V E -JK 58 91C 0 14,-2.5 14,-1.3 -2,-0.2 2,-0.5 -0.946 16.8-142.1-124.0 144.4 11.7 32.0 12.0 45 32 H M E -JK 57 90C 0 45,-2.6 45,-2.4 -2,-0.4 2,-0.8 -0.916 9.5-146.9-106.3 126.8 12.1 28.7 10.1 46 33 H L E -JK 56 89C 0 10,-3.0 9,-2.6 -2,-0.5 10,-1.2 -0.859 27.5-169.4 -92.8 113.0 15.6 27.2 9.5 47 34 H F E -JK 54 88C 0 41,-3.2 41,-2.8 -2,-0.8 2,-0.4 -0.896 20.3-135.3-115.6 133.6 15.3 25.5 6.1 48 35 H R E > -JK 53 87C 78 5,-2.9 5,-0.8 -2,-0.4 39,-0.2 -0.675 11.2-147.1 -83.8 132.4 17.7 23.1 4.4 49 36 H K T 5S+ 0 0 74 37,-1.7 3,-0.2 -2,-0.4 -1,-0.1 0.940 79.8 44.3 -64.4 -49.7 18.2 23.9 0.7 50 36AH S T 5S+ 0 0 101 1,-0.4 -1,-0.3 36,-0.3 2,-0.2 -0.914 121.2 22.6-152.2 118.2 18.7 20.3 -0.5 51 37 H P T 5S- 0 0 75 0, 0.0 2,-0.8 0, 0.0 -1,-0.4 0.584 102.3-127.0 -69.0 152.6 17.0 18.2 0.4 52 38 H Q T 5 + 0 0 54 -3,-0.2 2,-0.3 -2,-0.2 236,-0.3 -0.631 53.8 142.1 -73.5 109.7 14.3 20.8 1.2 53 39 H E E < -J 48 0C 43 -5,-0.8 -5,-2.9 -2,-0.8 2,-0.7 -0.990 57.4-106.8-150.3 150.0 13.4 20.1 4.8 54 40 H L E +J 47 0C 1 229,-0.5 -7,-0.2 -2,-0.3 231,-0.1 -0.704 35.4 178.0 -77.9 114.4 12.5 22.0 8.0 55 41 H L E - 0 0 17 -9,-2.6 2,-0.3 -2,-0.7 169,-0.2 0.913 53.6 -38.4 -85.0 -45.3 15.6 21.8 10.2 56 42 H b E -J 46 0C 3 -10,-1.2 -10,-3.0 169,-0.1 -1,-0.3 -0.956 54.8 -96.0-167.2 176.1 14.5 23.9 13.3 57 43 H G E +J 45 0C 1 169,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.462 39.5 171.2 -97.0 178.6 12.8 27.0 14.5 58 44 H A E -J 44 0C 0 -14,-1.3 -14,-2.5 -2,-0.2 2,-0.3 -0.928 22.4-119.7-173.2 177.1 14.6 30.2 15.3 59 45 H S E -JL 43 67C 0 8,-2.0 8,-2.6 -2,-0.3 2,-0.6 -0.998 13.9-123.2-143.1 147.4 13.7 33.9 16.2 60 46 H L E + L 0 66C 0 -18,-2.3 86,-2.2 -2,-0.3 6,-0.2 -0.746 29.3 168.8 -89.7 117.5 14.3 37.3 14.8 61 47 H I - 0 0 22 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.499 67.9 -10.2-106.2 -7.3 16.0 39.6 17.3 62 48 H S S S- 0 0 31 3,-0.9 3,-0.3 85,-0.1 -1,-0.2 -0.941 89.6 -72.8-169.0-177.2 16.8 42.5 14.9 63 49 H D S S+ 0 0 63 -2,-0.3 74,-2.7 1,-0.2 72,-0.1 0.696 130.0 16.0 -65.7 -17.6 16.8 43.4 11.2 64 50 H R S S+ 0 0 99 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.290 108.0 85.5-139.6 11.1 19.8 41.2 10.5 65 51 H W E - M 0 132C 10 -3,-0.3 -4,-2.4 67,-0.2 -3,-0.9 -0.978 47.1-172.5-123.9 128.1 20.3 38.8 13.5 66 52 H V E -LM 60 131C 0 65,-2.4 65,-2.1 -2,-0.4 2,-0.4 -0.939 10.7-150.9-117.5 136.2 18.6 35.5 14.1 67 53 H L E +LM 59 130C 0 -8,-2.6 -8,-2.0 -2,-0.4 2,-0.2 -0.895 28.5 146.5-107.9 137.4 18.9 33.4 17.3 68 54 H T E - M 0 129C 0 61,-2.5 61,-2.1 -2,-0.4 2,-0.3 -0.852 51.1 -72.4-153.0-178.6 18.7 29.6 17.4 69 55 H A > - 0 0 0 -12,-0.4 3,-1.6 -2,-0.2 4,-0.4 -0.690 35.9-132.7 -84.9 138.5 20.0 26.5 19.2 70 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.3 3,-1.4 0.846 103.9 64.0 -60.4 -30.4 23.6 25.6 18.5 71 57 H H G 34 S+ 0 0 5 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.586 87.0 70.5 -70.9 -11.4 22.6 21.9 17.9 72 58 H b G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.763 115.8 24.8 -72.2 -24.2 20.5 22.9 14.9 73 59 H L T <4 S+ 0 0 2 -3,-1.4 9,-2.9 -4,-0.4 2,-0.4 0.729 130.5 33.1-108.0 -35.9 23.7 23.6 13.1 74 60 H L E < +P 81 0D 39 -4,-2.4 -1,-0.3 7,-0.2 7,-0.2 -0.963 56.3 137.2-135.2 116.2 26.3 21.5 14.9 75 60AH Y E > > -P 80 0D 14 5,-3.4 3,-2.2 -2,-0.4 5,-2.2 -0.541 22.8-173.1-156.4 81.2 25.8 18.0 16.4 76 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.820 80.6 68.4 -46.8 -41.1 28.6 15.5 15.6 77 60CH P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.747 112.0 33.3 -54.3 -25.9 26.7 12.5 17.2 78 60DH W G < 5S- 0 0 148 -3,-2.2 3,-0.1 2,-0.1 0, 0.0 0.167 118.7-109.7-111.6 13.0 24.2 12.7 14.3 79 60EH D T < 5 + 0 0 150 -3,-2.3 2,-0.5 1,-0.2 -5,-0.0 0.749 67.5 151.7 63.1 28.8 26.8 13.9 11.8 80 60FH K E < +P 75 0D 42 -5,-2.2 -5,-3.4 -9,-0.1 -1,-0.2 -0.806 5.7 142.2 -96.2 123.7 25.3 17.4 11.7 81 60GH N E -P 74 0D 121 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.2 -0.507 27.3-171.1-158.4 76.9 27.6 20.3 10.8 82 60HH F - 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