==== 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 2FES . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.W.HOEFFKEN . 291 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 59.8 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 . 76 26.1 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 . 20 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.3 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 . 4 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 1FL G 0 0 116 0, 0.0 4,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-109.5 17.9 54.8 26.2 2 1EL S + 0 0 54 1,-0.1 2,-0.3 2,-0.1 150,-0.2 0.558 360.0 37.8 -70.5 -7.0 18.7 51.1 26.7 3 1DL G S S- 0 0 26 148,-0.1 -1,-0.1 4,-0.0 2,-0.1 -0.989 98.0-101.6-147.9 135.3 16.3 50.5 23.8 4 1CL E > - 0 0 79 -2,-0.3 3,-2.0 1,-0.1 -2,-0.1 -0.351 51.7-102.8 -57.5 123.2 15.7 52.5 20.6 5 1BL A T 3 S+ 0 0 75 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.097 106.4 34.8 -46.7 145.1 12.5 54.5 21.1 6 1AL D T > S+ 0 0 63 1,-0.3 3,-1.3 -3,-0.1 -1,-0.2 0.070 84.5 128.5 93.5 -21.1 9.5 53.0 19.3 7 1 L a T < + 0 0 4 -3,-2.0 -1,-0.3 1,-0.2 143,-0.2 -0.294 68.2 24.2 -64.3 152.1 10.5 49.4 19.9 8 2 L G T 3 S+ 0 0 0 141,-2.5 2,-0.8 236,-0.2 237,-0.7 0.372 91.2 112.1 77.6 -6.9 7.9 47.1 21.4 9 3 L L < - 0 0 36 -3,-1.3 -1,-0.2 140,-0.3 235,-0.1 -0.883 62.0-143.6-102.8 106.3 5.0 49.2 20.2 10 4 L R > > - 0 0 0 -2,-0.8 5,-2.1 1,-0.1 3,-1.5 -0.521 6.5-139.3 -74.0 131.2 3.1 47.2 17.6 11 5 L P T 3 5S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.841 102.5 44.6 -54.8 -39.2 1.6 49.3 14.7 12 6 L L T 3 5S+ 0 0 33 133,-0.5 -2,-0.1 30,-0.3 31,-0.1 0.339 129.7 15.7 -92.2 6.2 -1.6 47.3 14.6 13 7 L F T X>>S+ 0 0 13 -3,-1.5 5,-2.6 29,-0.1 3,-1.6 0.352 124.5 32.6-137.6 -84.0 -2.2 47.2 18.4 14 8 L E G >45S+ 0 0 26 1,-0.3 3,-0.7 3,-0.2 -5,-0.1 0.874 119.5 53.2 -51.0 -42.9 -0.4 49.5 20.9 15 9 L K G 34 - 0 0 3 -2,-0.3 3,-0.6 23,-0.1 4,-0.5 -0.419 37.8 -92.6 -86.1 164.4 -4.8 41.3 21.0 21 14AL K T 3 S+ 0 0 161 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.750 115.7 13.5 -43.9 -40.9 -6.8 38.2 22.0 22 14BL T T >> S+ 0 0 44 2,-0.1 3,-1.8 1,-0.1 4,-0.7 0.381 86.6 106.0-126.7 7.9 -4.7 37.1 24.9 23 14CL E H <> S+ 0 0 2 -3,-0.6 4,-1.7 1,-0.3 3,-0.5 0.784 78.8 66.2 -60.2 -22.3 -2.3 39.9 26.0 24 14DL R H 3> S+ 0 0 119 -4,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.799 90.5 63.3 -67.0 -28.9 -4.6 40.4 29.0 25 14EL E H <> S+ 0 0 40 -3,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.858 104.7 47.0 -63.6 -35.6 -3.6 36.9 30.3 26 14FL L H >X S+ 0 0 0 -4,-0.7 3,-1.2 -3,-0.5 4,-0.6 0.961 111.7 47.7 -71.0 -53.0 -0.0 38.1 30.6 27 14GL L H >< S+ 0 0 59 -4,-1.7 3,-1.1 1,-0.3 -2,-0.2 0.858 107.8 56.4 -57.6 -38.3 -0.8 41.4 32.4 28 14HL E H 3< S+ 0 0 138 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.733 103.9 55.4 -67.2 -21.1 -3.1 39.7 34.8 29 14IL S H << S+ 0 0 17 -3,-1.2 2,-1.8 -4,-0.6 -1,-0.3 0.606 82.5 92.7 -87.1 -10.9 -0.2 37.4 35.8 30 14JL Y << 0 0 28 -3,-1.1 -1,-0.2 -4,-0.6 136,-0.1 -0.526 360.0 360.0 -85.1 75.3 2.1 40.3 36.7 31 14KL I 0 0 161 -2,-1.8 -1,-0.2 -3,-0.0 -2,-0.1 0.890 360.0 360.0 -83.2 360.0 1.3 40.6 40.4 32 !* 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 33 16 H I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 131.8 4.3 25.2 19.4 34 17 H V B +A 225 0A 10 191,-3.0 191,-1.4 1,-0.2 143,-0.1 -0.907 360.0 2.0-109.1 133.2 2.2 22.5 21.1 35 18 H E S S+ 0 0 123 -2,-0.4 -1,-0.2 141,-0.4 188,-0.2 0.806 102.3 122.7 64.2 31.3 -1.2 23.3 22.4 36 19 H G - 0 0 28 -3,-0.3 2,-0.3 153,-0.1 153,-0.2 -0.139 51.8-128.0-102.5-157.9 -1.1 26.9 21.1 37 20 H S E -B 188 0B 65 151,-2.0 151,-2.4 -2,-0.1 2,-0.2 -0.958 34.6 -70.6-151.1 166.2 -3.3 28.8 18.7 38 21 H D E -B 187 0B 98 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.400 48.5-129.7 -63.7 127.9 -3.2 30.8 15.5 39 22 H A - 0 0 5 147,-2.6 2,-0.2 -2,-0.2 3,-0.1 -0.422 24.0-118.1 -72.6 152.8 -1.6 34.2 16.1 40 23 H E > - 0 0 47 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.568 45.4 -73.1 -90.3 161.1 -3.6 37.2 14.7 41 24 H I T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.246 117.1 5.3 -54.1 131.5 -2.2 39.5 12.0 42 25 H G T 3 S+ 0 0 12 55,-0.1 -30,-0.3 2,-0.1 -1,-0.3 0.634 89.1 126.4 69.9 14.7 0.6 41.8 13.2 43 26 H M S < S+ 0 0 5 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.772 83.6 23.3 -74.2 -27.4 0.6 40.2 16.7 44 27 H S > + 0 0 11 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.519 67.5 168.1-139.1 68.3 4.4 39.5 16.6 45 28 H P T 3 S+ 0 0 1 0, 0.0 103,-2.1 0, 0.0 99,-0.1 0.497 79.0 57.2 -61.0 -4.7 5.9 42.0 14.0 46 29 H W T 3 S+ 0 0 1 101,-0.2 18,-1.8 103,-0.1 2,-0.2 0.499 76.5 119.5-103.5 -7.1 9.4 41.1 15.3 47 30 H Q E < -J 63 0C 2 -3,-2.3 49,-1.0 16,-0.2 50,-0.4 -0.409 45.7-168.3 -63.5 125.7 9.0 37.4 14.5 48 31 H V E -JK 62 95C 0 14,-2.3 14,-1.1 -2,-0.2 2,-0.5 -0.892 14.4-143.8-119.6 147.6 11.6 36.3 12.0 49 32 H M E -JK 61 94C 0 45,-2.0 45,-2.7 -2,-0.3 2,-0.9 -0.947 8.6-145.9-112.6 126.8 11.9 33.0 10.0 50 33 H L E -JK 60 93C 0 10,-3.1 9,-2.8 -2,-0.5 10,-1.2 -0.822 25.9-169.3 -90.8 108.9 15.4 31.5 9.3 51 34 H F E -JK 58 92C 0 41,-2.7 41,-1.9 -2,-0.9 2,-0.4 -0.827 16.4-133.2-106.2 138.9 15.0 30.0 5.9 52 35 H R E > -JK 57 91C 71 5,-2.4 5,-0.6 -2,-0.4 39,-0.2 -0.706 6.5-144.8 -89.1 136.9 17.5 27.6 4.3 53 36 H K T 5S+ 0 0 30 37,-2.0 3,-0.5 -2,-0.4 -1,-0.1 0.931 81.9 47.4 -65.8 -46.0 18.5 28.3 0.6 54 36AH S T 5S+ 0 0 96 1,-0.5 -1,-0.3 36,-0.4 2,-0.1 -0.880 121.6 18.1-155.4 119.7 18.9 24.7 -0.3 55 37 H P T 5S- 0 0 73 0, 0.0 -1,-0.5 0, 0.0 2,-0.3 0.435 101.5-126.8 -75.7 140.1 16.9 22.6 0.3 56 38 H Q T 5 + 0 0 63 -3,-0.5 2,-0.3 -2,-0.1 -3,-0.2 -0.346 56.6 131.9 -55.8 111.7 14.4 25.4 0.9 57 39 H E E < -J 52 0C 79 -5,-0.6 -5,-2.4 -2,-0.3 2,-0.2 -0.992 63.8 -85.8-162.1 156.6 13.0 24.8 4.4 58 40 H L E +J 51 0C 30 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.468 42.2 171.5 -64.2 132.8 12.2 26.3 7.8 59 41 H L E - 0 0 23 -9,-2.8 2,-0.3 1,-0.4 -8,-0.2 0.734 53.6 -35.8-113.5 -40.0 15.4 26.2 9.9 60 42 H b E -J 50 0C 2 -10,-1.2 -10,-3.1 170,-0.1 -1,-0.4 -0.980 52.5-100.7-171.2 175.1 14.6 28.3 13.0 61 43 H G E +J 49 0C 2 170,-3.8 12,-0.4 -2,-0.3 2,-0.3 -0.526 39.8 164.3-101.1 174.9 12.8 31.2 14.5 62 44 H A E -J 48 0C 0 -14,-1.1 -14,-2.3 -2,-0.2 2,-0.3 -0.931 24.5-119.5-171.6-175.7 14.4 34.6 15.3 63 45 H S E -JL 47 71C 0 8,-1.9 8,-2.8 -2,-0.3 2,-0.5 -1.000 13.2-124.1-149.3 148.5 13.6 38.2 16.2 64 46 H L E + L 0 70C 0 -18,-1.8 86,-2.3 -2,-0.3 6,-0.2 -0.793 28.0 168.6 -91.7 121.6 14.2 41.7 14.9 65 47 H I S S- 0 0 14 4,-2.2 2,-0.3 -2,-0.5 87,-0.2 0.462 70.4 -8.9-111.0 -6.1 15.7 44.0 17.5 66 48 H S S S- 0 0 23 3,-0.9 -1,-0.3 85,-0.1 84,-0.1 -0.928 88.7 -79.0-171.2 179.6 16.6 47.0 15.2 67 49 H D S S+ 0 0 49 -2,-0.3 74,-2.0 1,-0.2 3,-0.1 0.643 128.0 27.9 -71.9 -11.9 16.6 47.7 11.4 68 50 H R S S+ 0 0 108 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.528 107.9 75.8-122.4 -13.9 19.9 45.8 10.9 69 51 H W E - M 0 136C 13 67,-0.2 -4,-2.2 65,-0.0 -3,-0.9 -0.899 47.5-173.3-117.1 135.6 20.1 43.1 13.7 70 52 H V E -LM 64 135C 0 65,-2.4 65,-2.4 -2,-0.4 2,-0.4 -0.936 13.5-149.2-118.8 138.9 18.4 39.8 14.2 71 53 H L E +LM 63 134C 0 -8,-2.8 -8,-1.9 -2,-0.4 2,-0.3 -0.873 28.4 146.2-110.3 140.4 18.7 37.7 17.3 72 54 H T E - M 0 133C 0 61,-2.2 61,-2.1 -2,-0.4 2,-0.3 -0.912 49.4 -72.9-156.1-178.5 18.5 33.9 17.4 73 55 H A > - 0 0 0 -12,-0.4 3,-1.3 -2,-0.3 4,-0.4 -0.684 32.8-136.4 -87.3 140.0 19.8 30.7 19.1 74 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.3 3,-2.2 0.870 102.0 64.6 -62.9 -37.8 23.4 29.7 18.4 75 57 H H G 34 S+ 0 0 18 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.673 90.0 69.7 -61.8 -12.7 22.5 26.0 18.0 76 58 H b G <4 S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.773 114.7 24.5 -72.7 -25.0 20.5 27.1 15.0 77 59 H L T <4 S+ 0 0 2 -3,-2.2 9,-2.5 -4,-0.4 2,-0.4 0.757 130.3 32.5-107.4 -36.9 23.7 27.8 13.2 78 60 H L E < +P 85 0D 42 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.971 55.7 135.4-133.9 120.9 26.3 25.6 14.9 79 60AH Y E > > -P 84 0D 51 5,-3.3 3,-2.1 -2,-0.4 5,-1.9 -0.492 25.0-169.7-163.0 82.6 25.8 22.1 16.5 80 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.3 0, 0.0 5,-0.1 0.753 80.1 72.2 -45.6 -38.2 28.5 19.6 15.6 81 60CH P G 3 5S+ 0 0 71 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.803 111.7 30.7 -55.0 -26.4 26.6 16.6 17.1 82 60DH W G < 5S- 0 0 186 -3,-2.1 3,-0.1 2,-0.1 0, 0.0 0.064 117.7-108.7-116.6 21.0 24.2 16.8 14.1 83 60EH D T < 5 + 0 0 153 -3,-2.3 2,-0.6 1,-0.2 -5,-0.0 0.823 66.0 156.4 55.0 34.9 26.9 18.2 11.7 84 60FH K E < +P 79 0D 41 -5,-1.9 -5,-3.3 1,-0.0 -1,-0.2 -0.825 4.6 140.1 -95.5 121.1 25.2 21.6 11.7 85 60GH N E -P 78 0D 115 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.434 25.6-176.4-160.8 76.8 27.5 24.4 10.8 86 60HH F - 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