==== 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 19-FEB-03 1NZQ . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR U.E.LANGE,D.BAUKE,W.HORNBERGER,H.MACK,W.SEITZ,H.W.HOEFFKEN . 288 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 61.5 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 . 74 25.7 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 . 2 0.7 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 . 21 7.3 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 1 1 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 . 4 5 0 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 0 1 0 1 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 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 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -91.1 13.5 53.9 19.4 2 1AL D > + 0 0 60 3,-0.1 3,-1.1 145,-0.0 146,-0.1 -0.233 360.0 157.7-112.6 43.4 9.9 52.8 19.5 3 1 L a T 3 + 0 0 29 1,-0.2 144,-0.2 144,-0.1 145,-0.1 -0.191 58.6 26.4 -62.0 157.8 10.7 49.1 19.9 4 2 L G T 3 S+ 0 0 0 142,-2.3 238,-0.8 237,-0.2 2,-0.8 0.354 89.4 112.9 71.6 -6.7 8.0 46.8 21.4 5 3 L L < - 0 0 28 -3,-1.1 -1,-0.1 141,-0.2 236,-0.1 -0.887 62.1-142.6-101.8 106.8 5.1 49.0 20.3 6 4 L R > > - 0 0 0 -2,-0.8 5,-2.8 1,-0.1 3,-1.3 -0.505 6.3-139.9 -75.6 132.1 3.1 47.0 17.7 7 5 L P T 3 5S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.856 102.6 42.9 -55.4 -40.8 1.6 48.9 14.7 8 6 L L T 3 5S+ 0 0 33 134,-0.5 32,-0.1 31,-0.3 134,-0.0 0.404 131.0 15.8 -91.1 4.0 -1.6 47.0 14.8 9 7 L F T X>>S+ 0 0 14 -3,-1.3 5,-2.3 30,-0.1 3,-1.5 0.361 127.3 30.0-135.1 -87.9 -2.1 47.0 18.5 10 8 L E T 345S+ 0 0 28 1,-0.3 3,-0.5 3,-0.2 -5,-0.1 0.865 120.1 56.7 -48.1 -41.1 -0.3 49.3 20.9 11 9 L K T 34 - 0 0 4 -2,-0.3 3,-0.9 24,-0.1 4,-0.4 -0.424 38.7 -94.0 -85.2 165.4 -4.7 41.1 21.2 17 14AL K T 3 S+ 0 0 155 1,-0.2 -1,-0.1 -2,-0.1 3,-0.0 0.705 114.9 19.1 -50.4 -33.2 -6.8 38.1 22.3 18 14BL T T >> S+ 0 0 45 2,-0.1 4,-0.7 1,-0.1 3,-0.5 0.249 85.0 105.0-129.5 17.5 -4.7 37.0 25.2 19 14CL E H X> S+ 0 0 1 -3,-0.9 4,-1.7 1,-0.2 3,-0.6 0.808 76.7 65.7 -69.5 -24.2 -2.4 39.7 26.3 20 14DL R H 3> S+ 0 0 124 -4,-0.4 4,-3.0 1,-0.2 5,-0.2 0.876 91.7 62.1 -62.5 -37.8 -4.5 40.3 29.4 21 14EL E H <> S+ 0 0 43 -3,-0.5 4,-0.9 1,-0.2 -1,-0.2 0.861 104.9 49.6 -55.0 -36.5 -3.6 36.9 30.7 22 14FL L H X< S+ 0 0 0 -4,-0.7 3,-0.6 -3,-0.6 4,-0.4 0.949 112.8 43.9 -67.7 -50.9 0.0 38.1 30.8 23 14GL L H >< S+ 0 0 51 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.844 109.1 57.3 -66.0 -33.2 -0.7 41.3 32.6 24 14HL E H 3< S+ 0 0 142 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.778 102.4 57.1 -68.4 -23.9 -3.0 39.6 35.1 25 14IL S T << S+ 0 0 20 -4,-0.9 2,-1.7 -3,-0.6 -1,-0.2 0.599 83.0 88.6 -82.2 -11.2 -0.1 37.3 36.1 26 14JL Y < - 0 0 22 -3,-1.0 -1,-0.2 -4,-0.4 137,-0.1 -0.542 68.1-167.5 -88.4 72.9 2.1 40.2 37.0 27 14KL I 0 0 118 -2,-1.7 -2,-0.1 1,-0.1 -3,-0.0 -0.351 360.0 360.0 -61.8 136.0 1.1 40.5 40.6 28 15 L D 0 0 146 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.341 360.0 360.0 -68.9 360.0 2.3 43.7 42.3 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 0.000 360.0 360.0 360.0 130.0 4.4 25.1 19.6 31 17 H V B +A 222 0A 13 191,-3.2 191,-1.4 1,-0.2 143,-0.1 -0.887 360.0 1.5-108.0 135.8 2.2 22.6 21.4 32 18 H E S S+ 0 0 123 -2,-0.4 -1,-0.2 141,-0.4 188,-0.2 0.812 102.4 120.5 61.3 31.9 -1.3 23.4 22.8 33 19 H G - 0 0 28 -3,-0.3 2,-0.3 153,-0.1 153,-0.2 -0.220 54.0-126.6-105.5-160.5 -1.0 26.9 21.4 34 20 H S E -B 185 0B 66 151,-2.0 151,-2.1 -2,-0.1 2,-0.0 -0.953 33.4 -72.0-147.9 165.9 -3.2 28.7 18.9 35 21 H D E -B 184 0B 110 -2,-0.3 149,-0.2 149,-0.2 2,-0.1 -0.335 50.3-126.2 -60.0 136.8 -3.0 30.7 15.7 36 22 H A - 0 0 5 147,-2.4 2,-0.2 59,-0.1 -1,-0.1 -0.493 22.2-120.0 -80.0 154.3 -1.5 34.1 16.1 37 23 H E > - 0 0 45 -2,-0.1 3,-1.7 1,-0.1 4,-0.3 -0.553 44.4 -75.9 -90.8 164.9 -3.5 37.1 14.9 38 24 H I T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.352 117.0 8.6 -61.0 134.2 -2.1 39.4 12.2 39 25 H G T 3 S+ 0 0 11 104,-0.1 -31,-0.3 2,-0.1 -1,-0.3 0.552 89.9 125.5 73.8 7.4 0.6 41.8 13.4 40 26 H M S < S+ 0 0 6 -3,-1.7 -2,-0.1 1,-0.3 -34,-0.1 0.852 83.8 20.0 -66.7 -34.9 0.7 40.0 16.8 41 27 H S > + 0 0 11 -4,-0.3 3,-2.7 102,-0.1 -1,-0.3 -0.517 67.4 170.0-135.6 66.4 4.5 39.4 16.6 42 28 H P T 3 S+ 0 0 2 0, 0.0 103,-2.4 0, 0.0 51,-0.1 0.493 78.8 57.6 -57.5 -3.7 6.0 41.8 14.1 43 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.3 103,-0.1 2,-0.2 0.416 75.7 120.9-105.8 -2.5 9.5 40.9 15.3 44 30 H Q E < -G 60 0C 3 -3,-2.7 49,-0.8 16,-0.2 50,-0.4 -0.430 45.1-165.9 -65.7 130.9 9.1 37.1 14.5 45 31 H V E -GH 59 92C 0 14,-2.6 14,-1.2 -2,-0.2 2,-0.5 -0.932 14.0-145.7-123.0 144.8 11.7 36.0 12.1 46 32 H M E -GH 58 91C 0 45,-2.2 45,-2.3 -2,-0.4 2,-0.7 -0.939 10.3-146.3-109.7 127.7 12.0 32.8 10.0 47 33 H L E -GH 57 90C 0 10,-3.4 9,-3.2 -2,-0.5 10,-1.2 -0.851 24.9-167.3 -91.5 117.3 15.4 31.4 9.3 48 34 H F E -GH 55 89C 0 41,-2.9 41,-2.7 -2,-0.7 2,-0.3 -0.924 16.5-134.8-116.8 132.7 15.2 29.8 5.9 49 35 H R E > -GH 54 88C 76 5,-2.6 5,-0.7 -2,-0.4 39,-0.2 -0.632 8.8-145.1 -82.1 132.9 17.7 27.4 4.2 50 36 H K T 5S+ 0 0 34 37,-2.3 3,-0.3 -2,-0.3 -1,-0.1 0.935 80.9 47.5 -63.1 -47.7 18.5 28.2 0.6 51 36AH S T 5S+ 0 0 100 1,-0.4 -1,-0.2 36,-0.4 2,-0.1 -0.893 120.5 18.9-154.9 120.9 18.9 24.6 -0.4 52 37 H P T 5S- 0 0 71 0, 0.0 2,-0.7 0, 0.0 -1,-0.4 0.515 101.7-125.3 -72.4 149.3 17.0 22.5 0.2 53 38 H Q T 5 + 0 0 61 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.507 56.6 133.4 -66.5 108.6 14.4 25.3 0.9 54 39 H E E < -G 49 0C 75 -5,-0.7 -5,-2.6 -2,-0.7 2,-0.2 -0.989 62.3 -90.4-155.6 157.2 13.1 24.6 4.4 55 40 H L E +G 48 0C 26 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.526 39.9 174.3 -68.4 132.5 12.4 26.2 7.7 56 41 H L E - 0 0 25 -9,-3.2 2,-0.3 1,-0.4 -8,-0.2 0.776 54.0 -36.4-108.6 -43.4 15.5 26.1 9.9 57 42 H b E -G 47 0C 2 -10,-1.2 -10,-3.4 170,-0.1 -1,-0.4 -0.966 52.4-104.2-168.5 174.4 14.6 28.1 13.0 58 43 H G E +G 46 0C 3 170,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.497 39.0 166.4-102.2 177.6 12.8 31.1 14.4 59 44 H A E -G 45 0C 0 -14,-1.2 -14,-2.6 -2,-0.2 2,-0.3 -0.940 26.1-111.3-173.3-177.3 14.5 34.3 15.4 60 45 H S E -GI 44 68C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.7 -0.995 14.1-126.3-141.6 146.2 13.7 37.9 16.3 61 46 H L E + I 0 67C 0 -18,-2.3 86,-2.4 -2,-0.3 6,-0.2 -0.780 28.3 168.8 -89.9 115.7 14.2 41.3 14.9 62 47 H I - 0 0 22 4,-2.0 2,-0.3 -2,-0.7 5,-0.1 0.450 69.0 -11.4-105.9 -3.3 15.9 43.7 17.4 63 48 H S S S- 0 0 31 3,-0.9 -1,-0.2 85,-0.1 84,-0.1 -0.931 87.2 -77.1-172.8-176.4 16.6 46.5 15.0 64 49 H D S S+ 0 0 55 -2,-0.3 74,-2.1 1,-0.2 3,-0.1 0.514 128.5 25.3 -78.1 -3.0 16.7 47.3 11.3 65 50 H R S S+ 0 0 121 72,-0.2 69,-2.8 1,-0.1 2,-0.4 0.451 108.5 75.9-136.1 -5.6 19.9 45.4 10.8 66 51 H W E - J 0 133C 13 67,-0.2 -4,-2.0 65,-0.0 -3,-0.9 -0.939 48.4-170.4-122.3 137.2 20.2 42.8 13.5 67 52 H V E -IJ 61 132C 0 65,-2.5 65,-2.0 -2,-0.4 2,-0.4 -0.963 10.8-151.0-122.8 135.4 18.5 39.5 14.2 68 53 H L E +IJ 60 131C 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.3 -0.859 30.2 141.6-106.4 137.5 18.7 37.4 17.4 69 54 H T E - J 0 130C 0 61,-2.1 61,-2.0 -2,-0.4 2,-0.3 -0.880 51.4 -70.4-156.0-175.4 18.4 33.7 17.4 70 55 H A > - 0 0 0 -12,-0.4 3,-1.4 -2,-0.3 4,-0.4 -0.661 32.1-133.3 -90.2 144.3 19.9 30.6 19.1 71 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.3 3,-1.8 0.848 103.0 65.7 -63.3 -34.7 23.4 29.5 18.4 72 57 H H G 34 S+ 0 0 16 1,-0.3 -1,-0.3 2,-0.2 9,-0.0 0.583 89.3 68.3 -67.3 -6.2 22.4 25.8 18.0 73 58 H b G <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.753 115.7 24.9 -78.4 -25.7 20.4 26.9 14.9 74 59 H L T <4 S+ 0 0 2 -3,-1.8 9,-2.5 -4,-0.4 2,-0.4 0.744 129.3 32.9-107.7 -32.5 23.8 27.7 13.2 75 60 H L E < +M 82 0D 40 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.959 55.2 134.7-138.0 118.8 26.3 25.4 15.0 76 60AH Y E > > -M 81 0D 54 5,-3.5 3,-2.4 -2,-0.4 5,-1.9 -0.478 23.2-172.0-162.3 81.4 25.8 22.0 16.4 77 60BH P G > 5S+ 0 0 49 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.765 80.2 72.8 -45.0 -40.2 28.5 19.4 15.6 78 60CH P G 3 5S+ 0 0 67 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.794 112.2 30.3 -52.0 -26.0 26.6 16.5 17.2 79 60DH W G < 5S- 0 0 177 -3,-2.4 3,-0.1 2,-0.1 0, 0.0 0.116 115.8-110.6-116.9 18.2 24.3 16.7 14.1 80 60EH D T < 5 + 0 0 152 -3,-2.6 2,-0.6 1,-0.2 0, 0.0 0.697 65.7 156.6 59.9 20.5 27.0 18.0 11.7 81 60FH K E < +M 76 0D 45 -5,-1.9 -5,-3.5 -9,-0.0 -1,-0.2 -0.691 2.1 141.0 -82.7 118.0 25.1 21.3 11.7 82 60GH N E -M 75 0D 110 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.574 23.8-175.9-158.9 88.3 27.3 24.2 10.8 83 60HH F - 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