==== 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 16-DEC-05 2FEQ . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.MACK,D.BAUCKE,W.HORNBERGER,U.E.W.LANGE,H.W.HOEFFKEN . 288 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 61.8 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 . 22 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.4 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 1 2 0 1 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 0 125 0, 0.0 147,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -62.7 13.5 54.2 19.9 2 1AL D > + 0 0 62 3,-0.0 3,-1.0 145,-0.0 146,-0.1 -0.162 360.0 147.2-106.9 41.0 9.9 53.0 19.4 3 1 L a T 3 + 0 0 28 1,-0.2 144,-0.3 144,-0.1 145,-0.1 -0.262 59.3 28.0 -68.0 159.5 10.7 49.3 19.8 4 2 L G T 3 S+ 0 0 0 142,-2.6 238,-0.9 237,-0.2 2,-0.7 0.409 90.1 112.3 69.9 -4.3 8.1 47.0 21.4 5 3 L L < - 0 0 37 -3,-1.0 -1,-0.1 141,-0.3 236,-0.1 -0.900 61.9-143.0-103.9 108.3 5.1 49.2 20.2 6 4 L R > > - 0 0 0 -2,-0.7 5,-2.5 1,-0.1 3,-1.0 -0.504 6.2-139.9 -76.4 135.6 3.1 47.3 17.6 7 5 L P T 3 5S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.878 101.9 43.5 -58.4 -41.8 1.6 49.2 14.7 8 6 L L T 3 5S+ 0 0 37 134,-0.5 32,-0.1 31,-0.3 -2,-0.0 0.430 129.7 17.6 -88.7 1.9 -1.6 47.3 14.7 9 7 L F T X >S+ 0 0 15 -3,-1.0 5,-3.1 30,-0.1 3,-1.1 0.509 126.0 30.3-132.4 -76.8 -2.2 47.3 18.5 10 8 L E G > 5S+ 0 0 30 1,-0.3 3,-1.1 3,-0.2 -5,-0.1 0.903 117.8 56.0 -59.6 -42.1 -0.4 49.6 20.8 11 9 L K G 3 - 0 0 1 -2,-0.4 3,-0.7 1,-0.1 4,-0.5 -0.427 35.4 -94.9 -83.4 160.1 -4.9 41.4 21.2 17 14AL K T 3 S+ 0 0 166 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.747 115.0 15.9 -38.6 -43.3 -6.9 38.4 22.2 18 14BL T T >> S+ 0 0 42 1,-0.1 3,-1.9 2,-0.1 4,-0.7 0.379 85.0 103.9-124.1 7.5 -4.7 37.3 25.1 19 14CL E H <> S+ 0 0 6 -3,-0.7 4,-1.7 1,-0.3 3,-0.3 0.776 78.9 69.4 -61.4 -19.7 -2.3 40.0 26.2 20 14DL R H 3> S+ 0 0 134 -4,-0.5 4,-1.6 1,-0.2 -1,-0.3 0.814 90.0 61.8 -64.6 -29.9 -4.7 40.4 29.2 21 14EL E H <4 S+ 0 0 47 -3,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.899 104.2 47.5 -63.8 -41.1 -3.5 37.0 30.4 22 14FL L H >X S+ 0 0 0 -4,-0.7 3,-1.6 -3,-0.3 4,-0.5 0.944 110.7 48.9 -65.5 -51.6 0.0 38.3 30.8 23 14GL L H >< S+ 0 0 49 -4,-1.7 3,-0.7 1,-0.3 -1,-0.2 0.791 106.1 57.3 -62.3 -29.4 -0.8 41.6 32.6 24 14HL E T 3< S+ 0 0 117 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.575 102.9 56.0 -79.8 -5.9 -3.0 39.8 35.1 25 14IL S T <4 S+ 0 0 17 -3,-1.6 2,-1.6 -4,-0.3 -1,-0.2 0.556 83.6 85.8 -98.7 -10.7 -0.1 37.6 36.1 26 14JL Y << + 0 0 17 -3,-0.7 2,-1.2 -4,-0.5 -1,-0.2 -0.577 57.9 166.7 -90.1 74.3 2.1 40.5 37.0 27 14KL I 0 0 135 -2,-1.6 -1,-0.1 -3,-0.1 -3,-0.1 -0.553 360.0 360.0 -92.9 72.0 0.8 40.8 40.6 28 15 L D 0 0 161 -2,-1.2 -2,-0.0 0, 0.0 0, 0.0 -0.079 360.0 360.0 -82.4 360.0 3.3 43.1 42.4 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,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 130.3 4.3 25.3 19.5 31 17 H V B +A 222 0A 7 191,-2.6 191,-1.2 1,-0.2 143,-0.1 -0.877 360.0 2.1-106.2 133.9 2.2 22.7 21.3 32 18 H E S S+ 0 0 123 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.837 104.2 117.4 62.2 34.5 -1.3 23.4 22.7 33 19 H G - 0 0 32 -3,-0.3 2,-0.3 153,-0.1 153,-0.2 -0.133 54.7-122.7-108.7-152.6 -1.2 27.0 21.4 34 20 H S E -B 185 0B 64 151,-2.0 151,-2.7 -2,-0.1 2,-0.2 -0.972 33.8 -70.8-154.3 165.9 -3.3 28.9 18.9 35 21 H D E -B 184 0B 101 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.412 49.8-125.8 -63.7 126.8 -3.1 30.9 15.6 36 22 H A - 0 0 6 147,-3.1 2,-0.2 -2,-0.2 -1,-0.1 -0.299 24.8-118.1 -66.2 154.9 -1.5 34.3 16.1 37 23 H E > - 0 0 43 1,-0.1 3,-1.9 2,-0.0 4,-0.3 -0.630 46.3 -73.7 -93.4 159.6 -3.5 37.3 14.9 38 24 H I T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.251 116.6 3.3 -55.0 128.9 -2.2 39.5 12.1 39 25 H G T 3 S+ 0 0 12 2,-0.1 -31,-0.3 104,-0.1 -1,-0.3 0.648 89.3 127.9 71.2 16.1 0.7 41.8 13.2 40 26 H M S < S+ 0 0 5 -3,-1.9 -2,-0.1 1,-0.3 -34,-0.1 0.836 82.6 24.6 -71.9 -33.9 0.7 40.3 16.7 41 27 H S > + 0 0 14 -4,-0.3 3,-1.9 1,-0.1 -1,-0.3 -0.597 68.0 168.7-131.2 70.5 4.5 39.6 16.6 42 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.9 0, 0.0 51,-0.1 0.492 78.7 55.8 -63.0 -1.2 6.0 42.0 14.0 43 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.8 103,-0.1 104,-0.1 0.536 76.6 119.6-106.5 -10.8 9.5 41.1 15.2 44 30 H Q E < -J 60 0C 4 -3,-1.9 49,-0.8 16,-0.2 2,-0.4 -0.298 46.6-164.2 -58.0 135.3 9.1 37.3 14.5 45 31 H V E -JK 59 92C 0 14,-2.2 14,-1.3 47,-0.1 2,-0.5 -0.948 14.7-140.7-127.4 145.9 11.7 36.1 12.0 46 32 H M E -JK 58 91C 0 45,-2.3 45,-2.3 -2,-0.4 2,-0.8 -0.923 9.6-147.8-109.4 122.9 12.0 33.0 9.9 47 33 H L E -JK 57 90C 1 10,-3.5 9,-2.9 -2,-0.5 10,-1.3 -0.800 27.9-170.1 -86.3 111.0 15.4 31.4 9.5 48 34 H F E -JK 55 89C 0 41,-2.7 41,-2.9 -2,-0.8 2,-0.4 -0.894 16.7-136.4-114.7 138.1 15.1 29.9 6.0 49 35 H R E > -JK 54 88C 71 5,-2.6 5,-0.7 -2,-0.4 39,-0.2 -0.700 4.2-148.9 -90.7 137.1 17.5 27.5 4.2 50 36 H K T 5S+ 0 0 42 37,-1.9 3,-0.3 -2,-0.4 -1,-0.1 0.952 79.6 51.7 -67.9 -52.0 18.4 28.0 0.6 51 36AH S T 5S+ 0 0 95 1,-0.4 -1,-0.2 36,-0.4 2,-0.1 -0.916 122.1 15.2-144.6 116.8 18.9 24.4 -0.4 52 37 H P T 5S- 0 0 73 0, 0.0 2,-0.6 0, 0.0 -1,-0.4 0.565 101.2-123.6 -77.4 157.0 16.9 22.5 0.3 53 38 H Q T 5 + 0 0 63 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.526 58.0 129.6 -69.2 113.8 14.3 25.2 0.9 54 39 H E E < -J 49 0C 68 -5,-0.7 -5,-2.6 -2,-0.6 2,-0.2 -0.989 64.1 -86.2-161.2 160.0 13.0 24.6 4.4 55 40 H L E +J 48 0C 28 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.520 40.5 173.3 -69.4 136.1 12.3 26.2 7.8 56 41 H L E - 0 0 30 -9,-2.9 2,-0.3 1,-0.4 -8,-0.2 0.710 53.6 -37.0-114.7 -38.2 15.5 26.2 9.8 57 42 H b E -J 47 0C 4 -10,-1.3 -10,-3.5 170,-0.1 -1,-0.4 -0.986 51.9 -99.2-175.4 171.6 14.6 28.2 12.9 58 43 H G E +J 46 0C 2 170,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.573 41.5 162.2 -99.5 168.1 12.8 31.2 14.5 59 44 H A E -J 45 0C 0 -14,-1.3 -14,-2.2 -2,-0.2 2,-0.3 -0.926 25.0-117.6-167.4-174.7 14.5 34.5 15.3 60 45 H S E -JL 44 68C 0 8,-2.0 8,-2.7 -2,-0.3 2,-0.6 -0.999 12.1-126.3-148.5 148.9 13.7 38.2 16.1 61 46 H L E + L 0 67C 0 -18,-1.8 86,-2.1 -2,-0.3 6,-0.2 -0.799 27.1 168.0 -93.6 122.6 14.3 41.7 14.8 62 47 H I S S- 0 0 23 4,-2.1 2,-0.3 -2,-0.6 87,-0.1 0.529 71.1 -7.7-109.5 -12.0 15.9 44.0 17.4 63 48 H S S S- 0 0 36 3,-0.9 3,-0.3 85,-0.1 -1,-0.2 -0.896 89.2 -79.6-163.5-175.5 16.8 46.9 15.0 64 49 H D S S+ 0 0 45 -2,-0.3 74,-1.4 1,-0.2 72,-0.1 0.692 127.2 29.0 -74.3 -16.2 16.7 47.5 11.2 65 50 H R S S+ 0 0 107 72,-0.2 69,-2.1 1,-0.1 2,-0.4 0.366 107.0 76.2-124.9 4.7 20.0 45.6 10.7 66 51 H W E - M 0 133C 17 -3,-0.3 -4,-2.1 67,-0.2 -3,-0.9 -0.969 47.6-170.6-130.4 134.5 20.2 43.0 13.4 67 52 H V E -LM 61 132C 0 65,-2.8 65,-2.7 -2,-0.4 2,-0.4 -0.950 11.4-152.4-119.6 134.7 18.6 39.6 14.0 68 53 H L E +LM 60 131C 0 -8,-2.7 -8,-2.0 -2,-0.4 2,-0.3 -0.860 28.0 144.7-108.0 139.6 18.8 37.6 17.2 69 54 H T E - M 0 130C 0 61,-2.3 61,-2.1 -2,-0.4 2,-0.3 -0.898 51.1 -71.1-155.8-178.0 18.5 33.8 17.4 70 55 H A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.3 4,-0.5 -0.693 34.7-134.5 -87.2 137.9 19.9 30.7 19.2 71 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.3 3,-1.9 0.876 102.0 65.3 -58.6 -38.9 23.5 29.7 18.4 72 57 H H G 34 S+ 0 0 17 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.691 89.6 67.7 -60.1 -16.8 22.5 26.0 18.0 73 58 H b G <4 S+ 0 0 3 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.804 115.3 27.3 -69.8 -28.6 20.5 27.0 14.9 74 59 H L T <4 S+ 0 0 3 -3,-1.9 9,-2.1 -4,-0.5 2,-0.4 0.826 129.7 30.8 -99.9 -42.5 23.8 27.9 13.2 75 60 H L E < +P 82 0D 42 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.979 56.2 138.4-128.5 128.4 26.3 25.6 14.9 76 60AH Y E > > -P 81 0D 46 5,-3.5 3,-2.6 -2,-0.4 5,-1.7 -0.359 22.1-171.9-168.7 78.7 25.8 22.1 16.3 77 60BH P G > 5S+ 0 0 49 0, 0.0 3,-2.5 0, 0.0 5,-0.1 0.749 80.9 71.9 -42.7 -40.5 28.6 19.5 15.7 78 60CH P G 3 5S+ 0 0 66 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.746 112.5 30.2 -55.4 -21.0 26.6 16.6 17.1 79 60DH W G < 5S- 0 0 183 -3,-2.6 3,-0.1 2,-0.1 0, 0.0 0.020 115.0-110.8-124.1 24.4 24.4 16.9 14.1 80 60EH D T < 5 + 0 0 153 -3,-2.5 2,-0.7 1,-0.2 0, 0.0 0.703 66.0 154.6 53.2 22.1 27.0 18.1 11.6 81 60FH K E < +P 76 0D 47 -5,-1.7 -5,-3.5 1,-0.1 -1,-0.2 -0.723 2.4 141.8 -84.9 115.9 25.2 21.4 11.6 82 60GH N E -P 75 0D 117 -2,-0.7 -7,-0.2 -7,-0.2 -8,-0.1 -0.447 25.5-176.8-154.5 72.7 27.6 24.3 10.7 83 60HH F - 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