==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 20-APR-11 3RLW . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.BIELA,A.HEINE,G.KLEBE . 290 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 62.8 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 26.9 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 . 20 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 10.0 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 0 1 2 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 1CL E > 0 0 96 0, 0.0 3,-1.5 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -72.1 15.1 17.4 18.3 2 1BL A T 3 + 0 0 88 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.743 360.0 44.1 -65.0 -22.3 13.2 20.2 20.1 3 1AL D T > S+ 0 0 67 144,-0.0 3,-1.3 2,-0.0 -1,-0.3 0.228 85.7 141.0-107.3 11.6 10.0 18.6 18.8 4 1 L a T < + 0 0 21 -3,-1.5 143,-0.2 1,-0.2 144,-0.1 -0.156 64.5 17.6 -57.7 146.3 11.0 15.0 19.7 5 2 L G T 3 S+ 0 0 0 141,-2.8 237,-2.0 1,-0.2 2,-0.6 0.527 91.2 114.2 74.7 7.4 8.3 12.7 21.1 6 3 L L < - 0 0 34 -3,-1.3 -1,-0.2 140,-0.3 235,-0.1 -0.940 61.4-140.9-112.2 108.3 5.3 14.8 20.0 7 4 L R > > - 0 0 0 -2,-0.6 5,-2.5 1,-0.1 3,-1.4 -0.533 5.4-139.9 -77.8 130.8 3.3 12.9 17.4 8 5 L P T 3 5S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.841 103.8 42.5 -51.6 -38.3 1.9 14.9 14.5 9 6 L L T 3 5S+ 0 0 29 133,-0.4 31,-0.1 30,-0.3 -2,-0.1 0.444 130.3 19.3 -95.7 1.3 -1.4 12.9 14.5 10 7 L F T X>>S+ 0 0 14 -3,-1.4 5,-2.2 29,-0.1 3,-1.5 0.401 127.9 25.2-129.7 -89.7 -1.8 12.8 18.3 11 8 L E G >45S+ 0 0 31 1,-0.3 3,-1.3 3,-0.2 -5,-0.1 0.868 120.2 56.4 -50.5 -42.5 -0.0 15.2 20.7 12 9 L K G 34> S+ 0 0 47 2,-0.1 3,-0.9 1,-0.1 4,-0.8 0.359 85.4 99.9-128.4 5.3 -4.4 3.0 25.0 20 14CL E H >> S+ 0 0 13 -3,-0.5 4,-2.0 1,-0.3 3,-0.7 0.844 78.8 65.3 -64.9 -28.7 -2.1 5.7 26.2 21 14DL R H 3> S+ 0 0 132 -4,-0.4 4,-2.8 1,-0.2 -1,-0.3 0.854 92.4 62.7 -58.2 -35.0 -4.3 6.3 29.2 22 14EL E H <> S+ 0 0 47 -3,-0.9 4,-0.7 1,-0.2 -1,-0.2 0.881 105.2 47.1 -54.8 -40.0 -3.4 2.8 30.4 23 14FL L H XX S+ 0 0 1 -4,-0.8 3,-1.2 -3,-0.7 4,-0.6 0.952 110.6 49.9 -68.1 -48.4 0.2 4.0 30.6 24 14GL L H >< S+ 0 0 92 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.900 107.1 55.8 -58.7 -41.2 -0.7 7.2 32.5 25 14HL E H 3< S+ 0 0 131 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.743 103.4 55.3 -65.5 -21.7 -2.8 5.3 35.0 26 14IL S H << S+ 0 0 16 -3,-1.2 2,-1.7 -4,-0.7 -1,-0.3 0.593 84.7 86.5 -84.3 -12.3 0.3 3.1 35.8 27 14JL Y << 0 0 27 -3,-1.4 -1,-0.2 -4,-0.6 135,-0.0 -0.588 360.0 360.0 -91.3 77.3 2.4 6.1 36.7 28 14KL I 0 0 170 -2,-1.7 -2,-0.1 -3,-0.0 135,-0.1 -0.522 360.0 360.0 -92.7 360.0 1.2 6.2 40.3 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 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.8 4.4 -8.9 19.1 31 17 H V B +A 222 0A 10 191,-2.6 191,-1.5 1,-0.2 143,-0.1 -0.817 360.0 0.6 -99.0 134.0 2.4 -11.6 20.9 32 18 H E S S+ 0 0 124 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.816 102.1 123.9 60.9 33.4 -1.1 -10.7 22.3 33 19 H G - 0 0 21 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.229 53.7-120.2-102.5-162.9 -0.9 -7.1 21.1 34 20 H S E -B 185 0B 80 151,-2.2 151,-2.6 -2,-0.1 2,-0.2 -0.890 35.0 -77.2-136.1 167.4 -3.2 -5.1 18.8 35 21 H D E -B 184 0B 112 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.464 51.9-119.8 -62.8 132.8 -3.0 -3.3 15.5 36 22 H A - 0 0 7 147,-3.0 2,-0.2 -2,-0.2 -1,-0.1 -0.336 25.2-114.7 -65.3 154.1 -1.3 0.1 15.8 37 23 H E > - 0 0 45 1,-0.1 3,-1.9 -2,-0.0 4,-0.3 -0.572 46.3 -81.2 -81.0 157.2 -3.3 3.2 14.9 38 24 H I T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.410 117.2 4.1 -59.6 129.5 -2.1 5.3 12.0 39 25 H G T 3 S+ 0 0 11 -2,-0.1 -30,-0.3 55,-0.1 -1,-0.3 0.621 91.5 126.8 71.3 13.8 0.8 7.5 13.1 40 26 H M S < S+ 0 0 5 -3,-1.9 -2,-0.1 1,-0.3 -33,-0.1 0.799 83.3 24.1 -71.8 -30.3 0.8 6.0 16.6 41 27 H S > + 0 0 12 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.562 69.5 165.4-134.4 68.5 4.5 5.2 16.4 42 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.600 75.7 59.1 -72.1 -7.1 6.0 7.6 13.9 43 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.1 103,-0.1 2,-0.1 0.437 77.2 120.2 -92.6 -2.4 9.6 6.9 15.1 44 30 H Q E < -J 60 0C 2 -3,-2.3 49,-0.9 16,-0.2 50,-0.4 -0.420 44.9-168.0 -67.9 134.0 9.2 3.2 14.3 45 31 H V E -JK 59 92C 0 14,-2.4 14,-1.3 47,-0.2 2,-0.5 -0.950 14.2-145.9-123.8 141.3 11.8 2.0 11.8 46 32 H M E -JK 58 91C 0 45,-2.6 45,-2.8 -2,-0.4 2,-0.6 -0.951 10.1-146.6-102.9 124.5 12.0 -1.2 9.8 47 33 H L E -JK 57 90C 2 10,-2.8 9,-3.2 -2,-0.5 10,-1.3 -0.827 24.8-164.3 -85.5 125.3 15.4 -2.6 9.0 48 34 H F E -JK 55 89C 0 41,-2.8 41,-2.4 -2,-0.6 2,-0.3 -0.944 15.9-134.3-124.9 125.8 15.1 -4.3 5.7 49 35 H R E > -JK 54 88C 80 5,-3.0 5,-1.0 -2,-0.5 39,-0.2 -0.603 9.6-149.1 -77.5 136.4 17.4 -6.7 4.0 50 36 H K T 5S+ 0 0 40 37,-2.3 3,-0.2 -2,-0.3 -1,-0.1 0.884 77.7 52.0 -74.7 -40.9 18.2 -6.0 0.4 51 36AH S T 5S+ 0 0 81 1,-0.4 -1,-0.3 36,-0.4 2,-0.2 -0.890 120.7 17.5-152.0 116.4 18.7 -9.6 -0.8 52 37 H P T 5S- 0 0 79 0, 0.0 2,-0.6 0, 0.0 -1,-0.4 0.641 103.6-121.6 -72.2 160.0 16.7 -11.5 -0.2 53 38 H Q T 5 + 0 0 55 -3,-0.2 231,-0.4 -2,-0.2 2,-0.3 -0.583 60.1 127.2 -72.7 112.4 14.1 -8.9 0.5 54 39 H E E < -J 49 0C 69 -5,-1.0 -5,-3.0 -2,-0.6 2,-0.2 -0.990 64.2 -86.0-161.1 157.0 12.9 -9.5 4.1 55 40 H L E +J 48 0C 31 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.527 37.0 176.4 -65.9 132.0 12.4 -7.8 7.5 56 41 H L E - 0 0 26 -9,-3.2 2,-0.3 1,-0.4 170,-0.2 0.759 55.2 -44.4-103.2 -38.3 15.5 -7.9 9.6 57 42 H b E -J 47 0C 1 -10,-1.3 -10,-2.8 170,-0.1 -1,-0.4 -0.972 52.6 -94.4-174.6 172.3 14.6 -6.0 12.7 58 43 H G E +J 46 0C 2 170,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.551 39.8 165.8 -96.7 174.3 12.9 -3.0 14.2 59 44 H A E -J 45 0C 0 -14,-1.3 -14,-2.4 -2,-0.2 2,-0.3 -0.904 25.6-117.5-170.8-178.8 14.7 0.2 15.1 60 45 H S E -JL 44 68C 0 8,-2.1 8,-2.6 -2,-0.3 2,-0.6 -0.992 14.8-120.6-143.4 150.3 13.7 3.8 16.0 61 46 H L E + L 0 67C 0 -18,-2.1 86,-2.3 -2,-0.3 6,-0.2 -0.783 30.6 167.2 -91.7 122.3 14.2 7.3 14.6 62 47 H I - 0 0 19 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.517 68.6 -9.1-114.0 -9.2 16.0 9.6 17.0 63 48 H S S S- 0 0 31 3,-1.1 -1,-0.2 85,-0.1 3,-0.1 -0.931 86.9 -79.5-164.8-174.1 16.8 12.5 14.6 64 49 H D S S+ 0 0 72 -2,-0.3 74,-2.4 1,-0.2 72,-0.1 0.648 129.2 25.7 -73.5 -10.3 16.7 13.3 10.9 65 50 H R S S+ 0 0 57 72,-0.2 69,-2.6 1,-0.1 2,-0.4 0.426 109.0 76.3-128.2 -4.4 19.9 11.3 10.4 66 51 H W E - M 0 133C 9 67,-0.2 -4,-2.3 -3,-0.1 -3,-1.1 -0.948 47.6-172.7-126.2 135.5 20.2 8.8 13.2 67 52 H V E -LM 61 132C 0 65,-2.6 65,-2.6 -2,-0.4 2,-0.4 -0.967 13.1-148.9-123.8 136.1 18.5 5.5 13.8 68 53 H L E +LM 60 131C 0 -8,-2.6 -8,-2.1 -2,-0.4 2,-0.2 -0.859 28.9 148.2-105.8 137.3 18.8 3.4 17.0 69 54 H T E - M 0 130C 0 61,-2.8 61,-2.0 -2,-0.4 2,-0.4 -0.844 48.4 -75.6-148.6-175.1 18.6 -0.4 17.1 70 55 H A > - 0 0 0 -12,-0.4 3,-1.3 -2,-0.2 4,-0.4 -0.752 32.1-133.6 -88.1 139.8 19.9 -3.5 18.9 71 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.9 1,-0.2 3,-1.9 0.867 104.8 63.5 -56.2 -39.0 23.4 -4.6 18.2 72 57 H H G 34 S+ 0 0 14 1,-0.3 -1,-0.2 2,-0.2 156,-0.0 0.688 91.1 67.2 -66.7 -14.7 22.3 -8.2 17.8 73 58 H b G <4 S+ 0 0 2 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.763 117.6 23.4 -67.4 -26.8 20.3 -7.1 14.8 74 59 H L T <4 S+ 0 0 1 -3,-1.9 9,-2.4 -4,-0.4 2,-0.4 0.706 130.2 34.4-110.3 -32.1 23.5 -6.4 13.0 75 60 H L E < +P 82 0D 30 -4,-2.9 -1,-0.3 7,-0.2 7,-0.2 -0.952 53.8 136.9-137.7 114.1 26.1 -8.6 14.7 76 60AH Y E > > -P 81 0D 51 5,-2.8 3,-2.1 -2,-0.4 5,-1.9 -0.534 21.4-174.9-154.3 83.4 25.6 -12.1 16.2 77 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.755 79.4 67.9 -53.0 -34.4 28.5 -14.5 15.3 78 60CH P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.803 111.5 36.1 -58.7 -25.0 26.8 -17.5 16.9 79 60DH W G < 5S- 0 0 184 -3,-2.1 3,-0.1 2,-0.1 -3,-0.0 0.106 118.8-110.0-109.2 18.2 24.2 -17.3 14.1 80 60EH D T < 5 + 0 0 156 -3,-2.0 2,-0.6 1,-0.2 -5,-0.0 0.846 67.1 153.1 56.9 35.5 26.7 -16.2 11.5 81 60FH K E < +P 76 0D 43 -5,-1.9 -5,-2.8 1,-0.0 -1,-0.2 -0.868 5.2 141.3-100.8 121.1 25.1 -12.7 11.5 82 60GH N E -P 75 0D 125 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.471 26.2-170.8-154.9 79.5 27.3 -9.8 10.5 83 60HH F - 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