==== 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 14-NOV-97 1AY6 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.GANESH,B.E.MARYANOFF,A.TULINSKY . 291 6 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 59.1 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 26.8 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 . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 8.9 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 1 1 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 . 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 1DL G > 0 0 33 0, 0.0 3,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -2.6 15.0 16.6 15.0 2 1CL E T 3 + 0 0 75 1,-0.2 146,-0.1 61,-0.2 147,-0.1 -0.557 360.0 76.5 -55.0 114.4 14.9 15.8 18.8 3 1BL A T 3 S+ 0 0 81 -2,-0.4 -1,-0.2 0, 0.0 146,-0.0 -0.290 103.9 37.9 167.1 -41.5 13.5 19.2 20.0 4 1AL D S X S+ 0 0 67 -3,-1.9 3,-1.5 144,-0.1 -2,-0.2 0.131 98.5 149.1-104.1 5.6 10.1 18.4 18.8 5 1 L a T 3 + 0 0 12 1,-0.2 143,-0.2 -4,-0.2 144,-0.1 -0.083 59.0 10.3 -51.3 145.3 10.9 14.9 20.0 6 2 L G T 3 S+ 0 0 0 141,-2.3 237,-1.2 236,-0.2 2,-0.6 0.498 91.8 113.6 64.2 17.4 8.1 12.7 21.3 7 3 L L < - 0 0 34 -3,-1.5 -1,-0.2 140,-0.2 235,-0.1 -0.958 61.1-141.4-115.1 109.8 5.2 14.9 20.3 8 4 L R > > - 0 0 0 -2,-0.6 5,-2.2 1,-0.1 3,-1.7 -0.616 7.1-136.6 -77.2 137.7 3.2 13.0 17.6 9 5 L P T 3 5S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.774 104.4 39.7 -57.0 -38.6 1.8 14.9 14.7 10 6 L L T 3 5S+ 0 0 33 133,-0.4 31,-0.1 30,-0.3 133,-0.0 0.367 131.3 20.7 -96.3 2.5 -1.6 13.0 14.8 11 7 L F T X>>S+ 0 0 13 -3,-1.7 5,-2.7 29,-0.1 3,-1.8 0.456 127.5 27.2-131.4 -79.9 -1.9 12.9 18.6 12 8 L E G >45S+ 0 0 25 1,-0.3 3,-1.4 3,-0.2 -5,-0.1 0.805 119.9 54.9 -52.0 -53.5 0.0 15.2 20.9 13 9 L K G 34> S+ 0 0 50 2,-0.1 3,-1.2 1,-0.1 4,-0.7 0.342 85.0 102.3-129.7 1.3 -4.6 2.9 25.2 21 14CL E H >> S+ 0 0 4 -3,-0.4 4,-1.7 1,-0.2 3,-0.5 0.732 77.0 65.6 -58.1 -26.3 -2.2 5.6 26.4 22 14DL R H 3> S+ 0 0 143 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.801 92.2 62.7 -65.2 -27.9 -4.4 6.3 29.5 23 14EL E H <> S+ 0 0 46 -3,-1.2 4,-0.5 2,-0.2 -1,-0.2 0.868 105.9 47.1 -58.2 -38.2 -3.5 2.7 30.7 24 14FL L H X< S+ 0 0 0 -4,-0.7 3,-1.2 -3,-0.5 4,-0.5 0.971 114.3 44.3 -63.1 -62.1 0.1 4.0 30.8 25 14GL L H >< S+ 0 0 47 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.855 107.8 58.3 -56.3 -38.2 -0.7 7.2 32.6 26 14HL E H 3< S+ 0 0 100 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.727 102.6 57.3 -71.4 -5.0 -3.0 5.5 35.1 27 14IL S T << S+ 0 0 15 -3,-1.2 2,-1.6 -4,-0.5 -1,-0.2 0.627 84.0 76.2 -95.1 -16.6 0.0 3.3 36.1 28 14JL Y < 0 0 19 -3,-1.2 -1,-0.2 -4,-0.5 -3,-0.1 -0.349 360.0 360.0 -91.8 46.9 2.4 6.2 37.1 29 14KL I 0 0 169 -2,-1.6 -1,-0.3 -3,-0.1 -2,-0.0 0.578 360.0 360.0 2.4 360.0 0.1 6.1 40.1 30 !* 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 31 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 131.8 4.1 -9.1 19.6 32 17 H V B -A 223 0A 9 191,-2.7 191,-0.9 1,-0.2 143,-0.1 -0.845 360.0 -3.3-106.2 122.0 2.0 -11.6 21.5 33 18 H E S S+ 0 0 129 141,-0.5 -1,-0.2 -2,-0.5 188,-0.2 0.839 100.7 124.1 65.9 39.9 -1.4 -10.5 22.7 34 19 H G - 0 0 25 -3,-0.3 2,-0.3 153,-0.1 153,-0.2 -0.107 53.9-120.0-103.2-157.4 -1.2 -6.9 21.4 35 20 H S E -B 186 0B 73 151,-1.9 151,-2.6 -2,-0.1 2,-0.2 -0.924 36.2 -80.7-147.2 166.1 -3.5 -5.0 19.1 36 21 H D E -B 185 0B 103 -2,-0.3 149,-0.3 149,-0.2 148,-0.1 -0.517 51.7-117.2 -68.9 146.1 -3.0 -3.3 15.8 37 22 H A - 0 0 6 147,-3.4 2,-0.2 -2,-0.2 -1,-0.1 -0.276 26.1-114.5 -78.8 156.5 -1.4 0.1 16.2 38 23 H E > - 0 0 38 1,-0.1 3,-1.9 -2,-0.0 4,-0.4 -0.585 47.6 -82.3 -82.1 158.2 -3.5 3.2 15.1 39 24 H I T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.416 117.3 7.9 -60.7 146.2 -2.1 5.2 12.1 40 25 H G T 3 S+ 0 0 12 104,-0.1 -30,-0.3 2,-0.1 -1,-0.3 0.534 91.7 122.6 57.5 15.8 0.7 7.6 13.3 41 26 H M S < S+ 0 0 5 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.838 85.4 24.5 -76.1 -25.7 0.7 6.0 16.9 42 27 H S > + 0 0 13 -4,-0.4 3,-2.3 1,-0.1 -1,-0.3 -0.547 69.0 163.8-139.4 68.6 4.4 5.2 16.7 43 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.6 0, 0.0 51,-0.1 0.601 74.6 61.5 -70.5 -9.2 6.0 7.5 14.2 44 29 H W T 3 S+ 0 0 4 101,-0.2 18,-2.5 103,-0.1 2,-0.2 0.461 77.3 122.6 -91.8 -1.4 9.5 6.7 15.5 45 30 H Q E < -J 61 0C 3 -3,-2.3 49,-0.9 16,-0.2 50,-0.4 -0.439 43.1-169.3 -68.1 130.3 9.0 3.0 14.5 46 31 H V E -JK 60 93C 0 14,-2.1 14,-1.3 -2,-0.2 2,-0.6 -0.893 15.4-142.9-123.0 136.4 11.6 1.8 12.1 47 32 H M E -JK 59 92C 0 45,-2.8 45,-2.4 -2,-0.4 2,-0.6 -0.950 11.1-145.0-104.6 126.9 11.8 -1.4 10.1 48 33 H L E -JK 58 91C 0 10,-3.5 9,-2.8 -2,-0.6 10,-1.0 -0.844 28.3-166.3 -90.5 119.3 15.2 -3.0 9.6 49 34 H F E -JK 56 90C 0 41,-2.9 41,-3.1 -2,-0.6 2,-0.4 -0.927 19.3-136.5-124.6 121.3 15.1 -4.6 6.1 50 35 H R E JK 55 89C 87 5,-3.4 5,-0.8 -2,-0.5 39,-0.2 -0.643 360.0 360.0 -75.9 128.6 17.3 -7.0 4.3 51 36 H K 0 0 80 37,-1.4 3,-0.3 -2,-0.4 -1,-0.1 0.943 360.0 360.0 -61.4 360.0 18.1 -6.2 0.7 52 ! 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 53 37 H P 0 0 108 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 144.9 16.6 -12.1 0.4 54 38 H Q + 0 0 60 -3,-0.3 2,-0.3 232,-0.1 232,-0.2 -0.679 360.0 135.1 -76.1 126.0 14.3 -9.1 1.1 55 39 H E E -J 50 0C 61 -5,-0.8 -5,-3.4 -2,-0.4 2,-0.5 -0.933 61.1 -88.8-168.1 155.1 13.0 -9.8 4.6 56 40 H L E +J 49 0C 33 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.728 35.4 178.4 -77.0 126.6 12.4 -8.1 7.9 57 41 H L E - 0 0 27 -9,-2.8 2,-0.3 -2,-0.5 -8,-0.2 0.881 56.2 -48.4 -88.8 -51.7 15.5 -8.3 10.2 58 42 H b E -J 48 0C 3 -10,-1.0 -10,-3.5 170,-0.1 -1,-0.3 -0.951 55.5 -88.3-175.6 171.2 14.3 -6.3 13.3 59 43 H G E +J 47 0C 2 170,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.376 41.0 173.5 -86.6 177.5 12.6 -3.1 14.6 60 44 H A E -J 46 0C 0 -14,-1.3 -14,-2.1 -2,-0.1 2,-0.3 -0.869 22.0-118.9-171.9 176.2 14.5 0.1 15.4 61 45 H S E -JL 45 69C 0 8,-1.7 8,-2.5 -2,-0.3 2,-0.6 -0.989 12.0-126.4-140.7 150.5 13.7 3.6 16.3 62 46 H L E + L 0 68C 0 -18,-2.5 86,-2.2 -2,-0.3 6,-0.2 -0.831 28.7 168.2 -95.6 118.4 14.2 7.1 14.9 63 47 H I S S- 0 0 5 4,-2.3 2,-0.2 -2,-0.6 -61,-0.2 0.502 70.2 -8.1-107.3 -11.4 15.9 9.5 17.4 64 48 H S S S- 0 0 18 3,-1.1 3,-0.5 -63,-0.2 -1,-0.3 -0.908 90.8 -77.4-163.3-172.2 16.7 12.4 15.0 65 49 H D S S+ 0 0 55 -2,-0.2 74,-2.7 1,-0.2 3,-0.1 0.588 128.9 25.1 -78.6 -6.3 16.5 13.0 11.2 66 50 H R S S+ 0 0 45 72,-0.2 69,-3.1 1,-0.1 2,-0.4 0.460 107.9 76.2-128.5 -5.7 19.7 11.0 10.6 67 51 H W E - M 0 134C 0 -3,-0.5 -4,-2.3 67,-0.2 -3,-1.1 -0.983 48.6-170.3-122.6 140.2 20.1 8.5 13.5 68 52 H V E -LM 62 133C 0 65,-2.4 65,-2.5 -2,-0.4 2,-0.4 -0.960 12.6-144.8-126.0 139.0 18.4 5.2 14.2 69 53 H L E +LM 61 132C 0 -8,-2.5 -8,-1.7 -2,-0.4 2,-0.2 -0.924 30.5 147.6-111.5 136.1 18.6 3.1 17.4 70 54 H T E - M 0 131C 0 61,-3.2 61,-2.2 -2,-0.4 2,-0.4 -0.805 50.4 -77.5-149.6-178.3 18.6 -0.6 17.5 71 55 H A > - 0 0 0 -12,-0.4 3,-1.4 59,-0.3 4,-0.4 -0.738 34.4-133.3 -84.6 137.2 19.9 -3.7 19.4 72 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.2 1,-0.3 3,-1.6 0.856 104.6 65.4 -58.1 -30.1 23.5 -4.6 18.5 73 57 H H G 34 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.2 9,-0.0 0.717 87.2 67.6 -66.9 -29.4 22.4 -8.3 18.1 74 58 H b G <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.741 116.9 26.3 -58.2 -27.0 20.3 -7.3 15.1 75 59 H L T <4 S+ 0 0 0 -3,-1.6 9,-1.8 -4,-0.4 2,-0.4 0.722 129.5 31.2-105.5 -33.8 23.6 -6.6 13.3 76 60 H L E < +P 83 0D 39 -4,-2.2 -1,-0.3 7,-0.2 7,-0.2 -0.948 53.4 139.9-140.7 114.5 26.2 -8.8 15.0 77 60AH Y E > > -P 82 0D 13 5,-2.1 5,-2.5 -2,-0.4 3,-2.3 -0.598 22.6-172.4-156.0 83.1 25.7 -12.2 16.6 78 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.8 0, 0.0 -1,-0.1 0.763 79.9 65.7 -51.5 -41.8 28.6 -14.5 15.8 79 60CH P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.703 111.5 37.7 -50.6 -32.0 27.1 -17.7 17.3 80 60DH W G < 5S- 0 0 144 -3,-2.3 3,-0.1 2,-0.1 0, 0.0 0.117 118.5-111.5-106.0 15.1 24.4 -17.5 14.5 81 60EH D T < 5 + 0 0 152 -3,-2.8 2,-0.4 1,-0.2 -5,-0.0 0.773 65.6 154.5 59.2 31.9 26.9 -16.3 12.0 82 60FH K E < +P 77 0D 42 -5,-2.5 -5,-2.1 1,-0.1 -1,-0.2 -0.787 5.5 144.4 -98.1 128.9 25.2 -12.9 11.9 83 60GH N E -P 76 0D 115 -2,-0.4 -7,-0.2 -7,-0.2 -8,-0.1 -0.145 24.7-173.5-158.7 66.9 27.4 -10.0 10.8 84 60HH F - 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