==== 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 BLOOD CLOTTING,HYDROLASE/INHIBITOR 06-MAR-03 1O2G . COMPND 2 MOLECULE: THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.A.KATZ,K.ELROD,E.VERNER,R.L.MACKMAN,C.LUONG,W.SHRADER,M.SE . 298 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 25.8 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 . 3 1.0 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 . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 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 1 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 1HL T 0 0 16 0, 0.0 2,-0.1 0, 0.0 283,-0.1 0.000 360.0 360.0 360.0 -75.5 19.3 12.7 19.5 2 1GL F - 0 0 44 1,-0.1 155,-0.7 68,-0.1 4,-0.4 -0.258 360.0 -25.0-123.1-151.7 20.2 13.5 23.2 3 1FL G B S-a 157 0A 32 2,-0.2 2,-2.5 -2,-0.1 156,-0.1 -0.569 128.9 -14.2 -79.4 122.2 18.5 14.5 26.6 4 1EL S B S+B 157 0A 74 153,-1.1 153,-0.6 -2,-0.4 2,-0.6 -0.819 122.0 155.8 88.7 -80.4 15.0 16.2 26.4 5 1DL G + 0 0 33 -2,-2.5 -2,-0.2 1,-0.2 151,-0.1 -0.755 23.8 46.2 110.5-131.8 16.6 16.3 23.1 6 1CL E S S- 0 0 48 -2,-0.6 -1,-0.2 -4,-0.4 2,-0.1 0.740 89.7-124.3 -42.7 -43.3 15.6 16.5 19.5 7 1BL A S S+ 0 0 70 -3,-0.2 -1,-0.1 2,-0.0 -2,-0.0 -0.485 97.8 32.7 127.4 -59.5 13.2 19.5 20.3 8 1AL D S > S+ 0 0 61 -2,-0.1 3,-1.3 147,-0.1 148,-0.1 0.202 90.8 140.1-112.7 12.2 9.8 18.5 19.1 9 1 L a T 3 + 0 0 1 1,-0.2 146,-0.2 146,-0.1 147,-0.1 -0.024 59.9 19.9 -56.5 156.5 10.4 14.8 19.9 10 2 L G T 3 S+ 0 0 0 144,-2.3 239,-1.1 238,-0.2 2,-0.7 0.449 89.5 112.3 64.9 1.8 7.8 12.6 21.3 11 3 L L < - 0 0 31 -3,-1.3 -1,-0.1 143,-0.2 237,-0.1 -0.929 62.9-142.3-107.8 107.7 4.8 14.9 20.3 12 4 L R > > - 0 0 0 -2,-0.7 5,-2.2 1,-0.1 3,-1.6 -0.556 6.4-137.8 -74.0 127.0 2.9 12.9 17.6 13 5 L P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.869 104.1 43.3 -46.3 -45.0 1.4 14.9 14.7 14 6 L L T 3 5S+ 0 0 33 136,-0.5 34,-0.1 33,-0.3 -2,-0.0 0.502 129.2 17.7 -86.6 -2.6 -1.8 12.9 14.8 15 7 L F T X>>S+ 0 0 13 -3,-1.6 5,-2.3 32,-0.1 3,-2.0 0.434 127.2 27.6-130.5 -87.2 -2.3 12.8 18.5 16 8 L E G >45S+ 0 0 27 1,-0.3 3,-1.3 3,-0.2 -5,-0.1 0.876 119.4 55.9 -48.8 -47.0 -0.5 15.2 20.9 17 9 L K G 34 - 0 0 6 -2,-0.3 3,-0.7 26,-0.1 4,-0.4 -0.429 38.7 -96.0 -85.9 167.2 -4.9 7.0 21.2 23 14AL K T 3 S+ 0 0 145 1,-0.2 -1,-0.1 -2,-0.1 4,-0.0 0.619 113.5 26.0 -63.1 -17.5 -7.1 4.2 22.6 24 14BL T T >> S+ 0 0 29 2,-0.1 3,-1.0 1,-0.1 4,-0.9 0.353 86.0 98.9-127.5 8.9 -4.8 2.8 25.3 25 14CL E H X> S+ 0 0 2 -3,-0.7 4,-2.1 1,-0.3 3,-0.7 0.872 78.9 64.7 -63.8 -30.5 -2.5 5.6 26.4 26 14DL R H 3> S+ 0 0 125 -4,-0.4 4,-2.8 1,-0.3 -1,-0.3 0.850 93.1 62.2 -57.3 -33.3 -4.8 6.2 29.4 27 14EL E H <> S+ 0 0 47 -3,-1.0 4,-0.9 2,-0.2 -1,-0.3 0.901 105.9 46.7 -59.0 -41.6 -3.8 2.7 30.6 28 14FL L H XX S+ 0 0 0 -4,-0.9 3,-1.5 -3,-0.7 4,-0.8 0.985 113.7 45.1 -64.9 -58.4 -0.2 4.0 30.8 29 14GL L H ><>S+ 0 0 36 -4,-2.1 3,-0.7 1,-0.3 5,-0.7 0.857 109.4 56.8 -56.5 -35.0 -1.0 7.2 32.6 30 14HL E H 3<5S+ 0 0 126 -4,-2.8 -1,-0.3 -5,-0.3 4,-0.2 0.774 103.7 54.3 -70.7 -21.4 -3.3 5.3 35.0 31 14IL S H <<5S+ 0 0 23 -3,-1.5 2,-2.0 -4,-0.9 -1,-0.2 0.626 86.1 81.0 -86.2 -12.8 -0.5 3.1 36.0 32 14JL Y T <<5S- 0 0 9 -4,-0.8 -1,-0.2 -3,-0.7 139,-0.1 -0.429 124.5 -90.7 -90.3 62.0 1.8 6.0 36.9 33 14KL I T 5S- 0 0 120 -2,-2.0 -2,-0.1 -3,-0.1 -3,-0.1 0.576 74.9 -67.3 37.2 30.6 -0.1 6.2 40.2 34 14LL D < - 0 0 105 -5,-0.7 2,-0.3 -4,-0.2 -4,-0.1 0.151 47.4-103.9 81.5 160.3 -2.9 8.7 39.1 35 14ML G 0 0 85 -5,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.499 360.0 360.0-124.1 67.7 -2.7 12.4 38.1 36 15 L R 0 0 251 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.734 360.0 360.0-149.1 360.0 -4.0 14.5 41.0 37 !* 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 38 16 H I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 135.5 4.0 -9.1 19.6 39 17 H V B +C 229 0B 10 190,-2.8 190,-1.4 1,-0.2 143,-0.1 -0.910 360.0 0.6-110.0 133.4 1.8 -11.7 21.5 40 18 H E S S+ 0 0 131 -2,-0.4 -1,-0.2 141,-0.4 187,-0.2 0.803 101.1 122.6 58.3 39.4 -1.6 -10.6 22.8 41 19 H G - 0 0 26 -3,-0.3 2,-0.3 152,-0.1 152,-0.2 -0.416 54.8-126.0-111.2-173.6 -1.2 -7.1 21.5 42 20 H S E -D 192 0C 58 150,-2.6 150,-2.2 -2,-0.2 2,-0.2 -0.795 35.2 -76.6-130.6 176.3 -3.6 -5.3 19.1 43 21 H D E -D 191 0C 92 -2,-0.3 148,-0.3 148,-0.2 147,-0.1 -0.507 51.9-119.7 -74.6 145.7 -3.2 -3.5 15.8 44 22 H A - 0 0 9 146,-3.2 2,-0.2 -2,-0.2 -1,-0.1 -0.279 23.8-112.9 -78.1 169.9 -1.7 -0.1 16.1 45 23 H E > - 0 0 65 1,-0.1 3,-1.7 -2,-0.0 4,-0.4 -0.619 45.6 -83.9 -98.2 161.7 -3.5 3.0 15.0 46 24 H I T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.466 116.7 7.8 -67.8 138.9 -2.2 5.0 12.1 47 25 H G T 3 S+ 0 0 11 -2,-0.1 -33,-0.3 55,-0.1 -1,-0.3 0.550 91.5 124.0 64.7 12.8 0.5 7.5 13.3 48 26 H M S < S+ 0 0 6 -3,-1.7 -2,-0.1 1,-0.2 -36,-0.1 0.854 85.6 21.4 -68.7 -40.1 0.5 5.9 16.9 49 27 H S S > S+ 0 0 11 -4,-0.4 3,-2.5 1,-0.1 -1,-0.2 -0.605 70.7 167.0-127.4 69.6 4.3 5.1 16.8 50 28 H P T 3 S+ 0 0 4 0, 0.0 103,-1.6 0, 0.0 51,-0.1 0.585 75.6 60.4 -67.2 -5.3 5.8 7.5 14.1 51 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.8 103,-0.1 104,-0.1 0.505 77.0 118.9 -97.9 -5.9 9.3 6.7 15.3 52 30 H Q E < -L 68 0D 3 -3,-2.5 49,-0.9 16,-0.2 50,-0.4 -0.389 43.7-171.5 -66.4 136.1 9.0 3.0 14.5 53 31 H V E -LM 67 100D 0 14,-2.3 14,-1.2 47,-0.2 2,-0.4 -0.899 16.6-142.7-126.7 154.6 11.5 1.8 11.9 54 32 H M E -LM 66 99D 0 45,-1.7 45,-2.5 -2,-0.3 2,-0.7 -0.982 9.4-146.8-119.5 127.9 11.9 -1.5 10.1 55 33 H L E -LM 65 98D 0 10,-2.9 9,-3.2 -2,-0.4 10,-1.1 -0.895 26.4-168.7 -98.3 121.2 15.3 -2.9 9.3 56 34 H F E -LM 63 97D 0 41,-3.0 41,-2.1 -2,-0.7 2,-0.3 -0.940 16.7-136.3-118.7 132.6 14.9 -4.7 6.0 57 35 H R E > -LM 62 96D 60 5,-3.0 5,-0.7 -2,-0.4 39,-0.2 -0.630 8.4-146.0 -85.7 143.1 17.4 -7.0 4.4 58 36 H K T 5S+ 0 0 34 37,-1.8 -1,-0.1 1,-0.3 3,-0.1 0.954 81.2 46.3 -77.7 -50.6 18.0 -6.5 0.7 59 36AH S T 5S+ 0 0 107 1,-0.4 -1,-0.3 36,-0.3 2,-0.1 -0.964 123.7 23.7-139.6 122.2 18.6 -10.1 -0.4 60 37 H P T 5S- 0 0 71 0, 0.0 2,-1.1 0, 0.0 -1,-0.4 0.693 102.9-133.4 -56.4 151.7 16.6 -12.0 0.7 61 38 H Q T 5 + 0 0 64 -2,-0.1 231,-0.3 -3,-0.1 2,-0.3 -0.701 53.6 137.5 -80.3 103.5 14.2 -9.1 1.1 62 39 H E E < -L 57 0D 62 -2,-1.1 -5,-3.0 -5,-0.7 2,-0.3 -0.985 62.1 -96.2-148.9 159.6 12.9 -9.7 4.6 63 40 H L E +L 56 0D 31 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.588 39.2 175.3 -73.0 134.5 12.1 -8.0 7.9 64 41 H L E - 0 0 24 -9,-3.2 2,-0.3 1,-0.5 169,-0.2 0.768 54.0 -35.9-107.4 -53.6 15.1 -8.3 10.1 65 42 H b E -L 55 0D 7 -10,-1.1 -10,-2.9 169,-0.1 -1,-0.5 -0.930 55.9 -98.6-159.5 179.2 14.3 -6.2 13.2 66 43 H G E +L 54 0D 2 169,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.462 39.6 170.0 -99.7 173.0 12.5 -3.2 14.5 67 44 H A E -L 53 0D 0 -14,-1.2 -14,-2.3 -2,-0.2 2,-0.3 -0.912 23.2-121.3-169.6 179.6 14.4 0.1 15.3 68 45 H S E -LN 52 76D 0 8,-1.9 8,-2.3 -2,-0.3 2,-0.6 -0.978 13.1-122.5-141.6 155.0 13.4 3.7 16.2 69 46 H L E + N 0 75D 0 -18,-1.8 86,-2.3 -2,-0.3 6,-0.2 -0.865 30.9 166.7 -97.2 120.5 14.0 7.1 14.8 70 47 H I S S- 0 0 0 4,-2.0 2,-0.3 -2,-0.6 -64,-0.2 0.490 70.3 -3.8-113.0 -10.0 15.6 9.5 17.3 71 48 H S S S- 0 0 1 3,-0.9 -1,-0.2 -70,-0.1 3,-0.1 -0.900 89.3 -84.3-162.5-178.6 16.6 12.4 14.9 72 49 H D S S+ 0 0 47 -2,-0.3 74,-1.9 1,-0.2 72,-0.1 0.637 127.0 29.7 -78.3 -8.3 16.4 13.0 11.2 73 50 H R S S+ 0 0 94 72,-0.2 69,-2.8 1,-0.1 2,-0.4 0.436 108.4 74.6-126.2 -1.0 19.7 11.1 10.5 74 51 H W E - O 0 141D 0 67,-0.2 -4,-2.0 -3,-0.1 -3,-0.9 -0.940 48.5-172.0-123.7 138.6 20.0 8.5 13.4 75 52 H V E -NO 69 140D 0 65,-2.6 65,-2.3 -2,-0.4 2,-0.4 -0.950 12.1-149.9-122.9 144.1 18.2 5.2 14.1 76 53 H L E +NO 68 139D 0 -8,-2.3 -8,-1.9 -2,-0.4 2,-0.3 -0.912 29.2 146.3-113.5 135.6 18.6 3.2 17.3 77 54 H T E - O 0 138D 0 61,-2.5 61,-2.0 -2,-0.4 2,-0.5 -0.836 51.5 -72.9-150.2-170.9 18.3 -0.6 17.3 78 55 H A > - 0 0 0 -12,-0.4 3,-2.0 -2,-0.3 4,-0.5 -0.806 34.3-135.7 -96.8 129.8 19.6 -3.7 19.1 79 56 H A G >> S+ 0 0 0 -2,-0.5 4,-2.5 1,-0.3 3,-1.2 0.791 101.3 66.3 -55.4 -30.9 23.2 -4.7 18.3 80 57 H H G 34 S+ 0 0 37 1,-0.3 -1,-0.3 2,-0.2 176,-0.0 0.682 88.6 67.1 -68.9 -15.4 22.2 -8.4 18.0 81 58 H b G <4 S+ 0 0 6 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.783 115.5 27.6 -72.1 -25.8 20.1 -7.5 14.9 82 59 H L T <4 S+ 0 0 2 -3,-1.2 9,-2.7 -4,-0.5 2,-0.4 0.759 129.4 31.9-103.9 -35.3 23.4 -6.7 13.1 83 60 H L E < +R 90 0E 45 -4,-2.5 -1,-0.3 7,-0.2 7,-0.2 -0.946 55.2 140.2-134.3 115.1 26.0 -8.8 14.8 84 60AH Y E > > -R 89 0E 52 5,-2.8 3,-2.2 -2,-0.4 5,-1.8 -0.569 21.3-174.8-152.4 77.7 25.4 -12.3 16.3 85 60BH P G > 5S+ 0 0 48 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.773 76.1 73.1 -47.0 -39.4 28.4 -14.6 15.5 86 60CH P G 3 5S+ 0 0 63 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.800 112.4 30.2 -46.7 -32.3 26.8 -17.8 17.0 87 60DH W G < 5S- 0 0 182 -3,-2.2 3,-0.1 2,-0.1 -3,-0.0 -0.123 118.5-109.5-120.4 34.0 24.5 -17.8 14.0 88 60EH D T < 5 + 0 0 150 -3,-2.6 2,-0.6 1,-0.2 -5,-0.0 0.826 64.7 155.0 41.4 44.6 27.0 -16.2 11.7 89 60FH K E < +R 84 0E 67 -5,-1.8 -5,-2.8 2,-0.0 2,-0.2 -0.892 1.8 144.6-100.7 123.1 25.1 -12.9 11.5 90 60GH N E -R 83 0E 112 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.654 25.1-172.0-158.5 91.2 27.3 -9.9 10.7 91 60HH F - 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