==== 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 24-FEB-97 1AD8 . COMPND 2 MOLECULE: THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.SCHREUDER,C.TARDIF,J.A.MALIKAYIL . 288 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 61.1 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 27.1 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 9.0 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 1 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 . 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 1CL E 0 0 69 0, 0.0 62,-0.1 0, 0.0 63,-0.1 0.000 360.0 360.0 360.0-167.8 14.4 22.0 17.1 2 1BL A + 0 0 90 61,-0.0 146,-0.0 0, 0.0 61,-0.0 -0.305 360.0 51.0 122.6 -33.8 13.5 25.0 19.4 3 1AL D S > S+ 0 0 66 144,-0.0 3,-1.1 3,-0.0 145,-0.1 -0.172 88.8 152.6-116.4 32.1 9.8 24.2 18.9 4 1 L a T 3 + 0 0 21 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.184 55.3 20.4 -65.3 152.6 10.5 20.5 19.9 5 2 L G T 3 S+ 0 0 0 141,-2.3 237,-0.9 236,-0.2 2,-0.7 0.416 91.3 111.3 73.1 -6.1 7.8 18.3 21.4 6 3 L L < - 0 0 32 -3,-1.1 -1,-0.1 140,-0.2 235,-0.1 -0.913 62.5-143.4-104.9 105.2 4.9 20.5 20.2 7 4 L R > > - 0 0 0 -2,-0.7 5,-2.0 1,-0.1 3,-1.6 -0.556 7.5-138.2 -74.6 127.7 3.0 18.5 17.6 8 5 L P T 3 5S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.855 104.3 42.8 -49.9 -39.8 1.5 20.5 14.6 9 6 L L T 3 5S+ 0 0 37 133,-0.4 31,-0.1 30,-0.3 133,-0.0 0.486 129.3 18.8 -90.3 -1.4 -1.8 18.6 14.8 10 7 L F T X>>S+ 0 0 14 -3,-1.6 5,-2.2 29,-0.1 3,-2.2 0.406 126.3 27.9-128.6 -91.5 -2.2 18.5 18.5 11 8 L E G >45S+ 0 0 31 1,-0.3 3,-0.6 3,-0.2 -5,-0.1 0.843 121.8 54.3 -44.2 -45.8 -0.5 20.9 21.0 12 9 L K G 34> S+ 0 0 43 1,-0.1 3,-1.3 2,-0.1 4,-0.8 0.419 85.5 102.5-121.3 5.1 -4.8 8.6 25.2 20 14CL E H 3> S+ 0 0 0 -3,-0.5 4,-2.1 1,-0.3 3,-0.4 0.807 76.8 65.3 -61.4 -26.3 -2.5 11.4 26.4 21 14DL R H 3> S+ 0 0 88 -4,-0.4 4,-3.0 1,-0.2 -1,-0.3 0.835 93.5 61.2 -62.9 -32.6 -4.7 12.0 29.5 22 14EL E H <> S+ 0 0 45 -3,-1.3 4,-0.8 2,-0.2 -1,-0.2 0.906 106.6 46.6 -58.7 -42.4 -3.8 8.5 30.8 23 14FL L H >X S+ 0 0 0 -4,-0.8 3,-1.4 -3,-0.4 4,-0.8 0.977 113.9 46.0 -65.1 -54.7 -0.1 9.7 30.8 24 14GL L H >< S+ 0 0 28 -4,-2.1 3,-0.8 1,-0.3 -2,-0.2 0.871 109.3 56.4 -57.8 -37.2 -0.9 13.0 32.6 25 14HL E H 3< S+ 0 0 140 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.690 104.0 53.9 -70.1 -18.1 -3.2 11.3 35.1 26 14IL S H << S+ 0 0 16 -3,-1.4 2,-2.7 -4,-0.8 -1,-0.2 0.651 80.6 93.4 -89.5 -17.4 -0.3 9.0 36.2 27 14JL Y << 0 0 27 -3,-0.8 -1,-0.2 -4,-0.8 136,-0.1 -0.432 360.0 360.0 -77.7 71.1 2.1 11.8 36.9 28 14KL I 0 0 172 -2,-2.7 -1,-0.2 -3,-0.0 -2,-0.1 0.861 360.0 360.0 -82.3 360.0 1.1 11.9 40.6 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,-0.4 0.000 360.0 360.0 360.0 126.9 4.0 -3.5 19.7 31 17 H V B -A 222 0A 1 191,-2.5 191,-1.6 1,-0.2 143,-0.1 -0.844 360.0 -0.9-101.8 129.4 1.9 -6.1 21.6 32 18 H E S S+ 0 0 128 141,-0.5 -1,-0.2 -2,-0.5 188,-0.1 0.822 102.2 124.3 64.3 33.3 -1.6 -5.0 22.9 33 19 H G - 0 0 27 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.063 52.7-123.3-100.3-152.9 -1.2 -1.5 21.5 34 20 H S E -B 185 0B 61 151,-1.6 151,-1.8 -2,-0.1 -3,-0.0 -0.972 33.2 -76.4-154.1 160.8 -3.5 0.3 19.0 35 21 H D E -B 184 0B 107 -2,-0.3 149,-0.2 149,-0.2 2,-0.2 -0.308 52.8-118.8 -59.2 139.0 -3.3 2.1 15.7 36 22 H A - 0 0 8 147,-2.8 2,-0.2 59,-0.1 -1,-0.1 -0.506 22.4-117.2 -79.8 152.6 -1.7 5.5 16.0 37 23 H E > - 0 0 51 -2,-0.2 3,-1.6 1,-0.1 4,-0.3 -0.524 44.9 -86.3 -80.9 156.7 -3.6 8.6 15.0 38 24 H I T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.416 114.5 8.6 -64.4 137.0 -2.2 10.7 12.1 39 25 H G T 3 S+ 0 0 11 2,-0.1 -30,-0.3 104,-0.1 -1,-0.3 0.489 90.4 122.4 70.2 5.6 0.4 13.1 13.4 40 26 H M S < S+ 0 0 5 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.783 85.6 22.7 -68.4 -31.8 0.5 11.6 16.9 41 27 H S > + 0 0 11 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.578 68.3 167.6-135.2 72.5 4.3 10.9 16.8 42 28 H P T 3 S+ 0 0 2 0, 0.0 103,-2.1 0, 0.0 99,-0.1 0.518 75.9 61.3 -66.2 -4.4 5.8 13.2 14.2 43 29 H W T 3 S+ 0 0 1 101,-0.2 18,-2.2 103,-0.1 2,-0.2 0.499 75.2 119.2 -97.6 -7.3 9.2 12.3 15.4 44 30 H Q E < -J 60 0C 2 -3,-2.1 49,-1.0 16,-0.2 50,-0.4 -0.410 43.5-170.9 -66.2 129.0 8.9 8.6 14.6 45 31 H V E -JK 59 92C 0 14,-2.4 14,-1.1 -2,-0.2 2,-0.5 -0.902 14.9-143.1-122.1 146.8 11.5 7.4 12.0 46 32 H M E -JK 58 91C 0 45,-2.0 45,-2.6 -2,-0.3 2,-0.6 -0.953 10.8-142.7-111.3 130.2 11.8 4.1 10.2 47 33 H L E -JK 57 90C 0 10,-3.1 9,-2.9 -2,-0.5 10,-0.8 -0.846 27.2-167.2 -89.9 124.9 15.2 2.5 9.5 48 34 H F E -JK 55 89C 0 41,-2.9 41,-2.4 -2,-0.6 2,-0.4 -0.948 18.6-136.2-125.1 130.2 15.0 1.0 6.1 49 35 H R E > -JK 54 88C 79 5,-3.4 5,-1.1 -2,-0.4 39,-0.2 -0.689 9.0-151.0 -81.9 129.8 17.3 -1.4 4.4 50 36 H K T 5S+ 0 0 34 37,-1.8 3,-0.3 -2,-0.4 -1,-0.2 0.978 79.3 48.5 -63.8 -55.0 18.0 -0.6 0.8 51 36AH S T 5S+ 0 0 99 1,-0.4 -1,-0.3 36,-0.4 2,-0.1 -0.960 122.1 20.2-143.2 118.5 18.6 -4.2 -0.3 52 37 H P T 5S- 0 0 73 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 0.532 104.1-126.0 -75.3 142.5 16.8 -6.2 0.4 53 38 H Q T 5 + 0 0 50 -3,-0.3 2,-0.3 -2,-0.1 230,-0.2 -0.424 56.9 137.8 -55.4 112.5 14.2 -3.5 1.0 54 39 H E E < -J 49 0C 68 -5,-1.1 -5,-3.4 -2,-0.3 2,-0.4 -0.988 59.5 -97.8-160.6 154.4 13.1 -4.2 4.6 55 40 H L E +J 48 0C 28 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.641 36.8 173.5 -76.6 128.2 12.3 -2.6 7.9 56 41 H L E - 0 0 21 -9,-2.9 2,-0.3 -2,-0.4 -1,-0.2 0.844 53.2 -38.0-100.3 -49.3 15.3 -2.7 10.2 57 42 H b E -J 47 0C 3 -10,-0.8 -10,-3.1 170,-0.1 -1,-0.4 -0.950 53.8 -93.0-165.8 176.5 14.3 -0.6 13.3 58 43 H G E +J 46 0C 2 170,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.452 42.0 166.7 -94.8 172.4 12.5 2.3 14.8 59 44 H A E -J 45 0C 0 -14,-1.1 -14,-2.4 -2,-0.2 2,-0.3 -0.940 24.0-120.0-171.6 175.9 14.3 5.6 15.5 60 45 H S E -JL 44 68C 0 8,-2.2 8,-2.5 -2,-0.3 2,-0.6 -0.993 13.5-124.7-139.9 150.0 13.4 9.3 16.3 61 46 H L E + L 0 67C 0 -18,-2.2 86,-2.3 -2,-0.3 6,-0.2 -0.806 30.3 166.6 -91.8 119.5 13.9 12.7 14.9 62 47 H I - 0 0 13 4,-2.5 2,-0.3 -2,-0.6 5,-0.2 0.420 69.1 -4.8-111.7 -2.1 15.7 15.0 17.3 63 48 H S S S- 0 0 22 3,-0.9 3,-0.3 -62,-0.1 -1,-0.3 -0.947 89.0 -79.4-173.0 173.8 16.6 17.8 14.9 64 49 H D S S+ 0 0 45 -2,-0.3 74,-2.5 1,-0.2 72,-0.1 0.695 129.9 19.8 -62.8 -18.8 16.4 18.6 11.2 65 50AH R S S+ 0 0 96 72,-0.2 69,-2.6 1,-0.1 2,-0.4 0.330 108.8 84.9-134.3 10.5 19.5 16.5 10.6 66 51 H W E - M 0 133C 12 -3,-0.3 -4,-2.5 67,-0.2 -3,-0.9 -0.960 46.3-173.7-124.2 128.3 19.8 14.2 13.6 67 52 H V E -LM 61 132C 0 65,-2.3 65,-2.1 -2,-0.4 2,-0.4 -0.953 12.1-151.2-118.0 134.7 18.2 10.8 14.2 68 53 H L E +LM 60 131C 0 -8,-2.5 -8,-2.2 -2,-0.4 2,-0.2 -0.874 29.2 146.8-106.0 136.7 18.5 8.9 17.5 69 54 H T E - M 0 130C 0 61,-2.3 61,-1.9 -2,-0.4 2,-0.4 -0.864 50.4 -72.1-153.6-178.1 18.3 5.1 17.6 70 55 H A > - 0 0 0 -12,-0.4 3,-2.0 -2,-0.2 4,-0.5 -0.747 34.5-134.9 -85.1 134.6 19.6 1.9 19.4 71 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.3 3,-1.2 0.832 103.9 64.7 -58.4 -29.3 23.3 1.0 18.6 72 57 H H G 34 S+ 0 0 15 1,-0.3 -1,-0.3 2,-0.2 9,-0.0 0.611 87.0 69.5 -71.9 -10.7 22.2 -2.6 18.2 73 58 H b G <4 S+ 0 0 1 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.795 116.2 24.2 -72.8 -28.3 20.1 -1.7 15.1 74 59 H L T <4 S+ 0 0 1 -3,-1.2 9,-2.4 -4,-0.5 2,-0.5 0.848 129.8 35.2-100.8 -46.7 23.3 -1.0 13.3 75 60 H L E < +P 82 0D 37 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.940 57.3 135.4-123.3 115.5 26.0 -3.1 15.1 76 60AH Y E > > -P 81 0D 51 5,-2.9 3,-2.1 -2,-0.5 5,-1.8 -0.550 24.8-171.5-157.6 82.3 25.3 -6.6 16.6 77 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.757 80.5 68.4 -47.4 -38.5 28.0 -9.2 15.8 78 60CH P G 3 5S+ 0 0 71 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.801 111.7 35.2 -57.1 -26.2 26.2 -12.2 17.2 79 60DH W G < 5S- 0 0 169 -3,-2.1 3,-0.1 2,-0.1 -3,-0.0 0.125 117.1-112.4-109.0 15.4 23.7 -11.8 14.4 80 60EH D T < 5 + 0 0 153 -3,-2.2 2,-0.5 1,-0.2 -5,-0.0 0.810 66.4 151.9 55.9 34.2 26.3 -10.7 11.9 81 60FH K E < +P 76 0D 43 -5,-1.8 -5,-2.9 -9,-0.0 -1,-0.2 -0.834 6.1 142.1-100.2 123.6 24.8 -7.2 11.8 82 60GH N E -P 75 0D 119 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.526 26.5-170.0-160.4 83.9 27.1 -4.3 11.0 83 60HH F - 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