==== 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 3RM0 . 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) . 13287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 62.4 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 . 79 27.2 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 . 1 0.3 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 . 36 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.7 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 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 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 0 103 0, 0.0 3,-1.8 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -81.8 15.3 18.1 18.5 2 1BL A T 3 + 0 0 89 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.750 360.0 46.2 -60.9 -24.0 13.2 20.8 20.2 3 1AL D T > S+ 0 0 84 144,-0.0 3,-1.3 2,-0.0 -1,-0.3 0.230 84.4 139.4-103.0 12.0 10.1 19.2 18.9 4 1 L a T < + 0 0 23 -3,-1.8 143,-0.2 1,-0.2 144,-0.1 -0.166 64.1 16.9 -60.5 148.4 11.0 15.6 19.7 5 2 L G T 3 S+ 0 0 0 141,-2.8 237,-1.9 1,-0.2 2,-0.6 0.546 91.0 114.1 74.3 7.1 8.4 13.2 21.1 6 3 L L < - 0 0 39 -3,-1.3 -1,-0.2 140,-0.3 235,-0.1 -0.949 61.0-141.2-112.8 110.8 5.3 15.3 20.0 7 4 L R > > - 0 0 0 -2,-0.6 5,-2.4 1,-0.1 3,-1.5 -0.551 6.3-138.7 -80.1 131.7 3.4 13.4 17.3 8 5 L P T 3 5S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.843 104.6 42.4 -52.2 -38.5 1.9 15.4 14.4 9 6 L L T 3 5S+ 0 0 32 133,-0.4 31,-0.1 30,-0.3 -2,-0.0 0.459 130.2 20.3 -93.5 1.2 -1.4 13.4 14.5 10 7 L F T X >S+ 0 0 14 -3,-1.5 5,-2.3 29,-0.1 3,-1.3 0.422 128.3 23.1-128.6 -90.4 -1.7 13.3 18.3 11 8 L E G > 5S+ 0 0 31 1,-0.3 3,-1.3 3,-0.2 -5,-0.1 0.865 119.4 58.5 -54.6 -40.7 0.0 15.8 20.7 12 9 L K G 3 > S+ 0 0 42 2,-0.1 3,-1.2 1,-0.1 4,-0.8 0.398 85.0 100.6-130.3 4.4 -4.3 3.5 25.0 20 14CL E H >> S+ 0 0 14 -3,-0.4 4,-2.0 1,-0.3 3,-0.6 0.825 78.5 66.0 -62.5 -27.2 -2.0 6.2 26.2 21 14DL R H 3> S+ 0 0 140 -4,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.849 92.1 61.9 -62.3 -32.4 -4.3 6.8 29.2 22 14EL E H <> S+ 0 0 50 -3,-1.2 4,-0.8 2,-0.2 -1,-0.2 0.882 105.0 48.0 -58.5 -38.2 -3.2 3.3 30.4 23 14FL L H XX S+ 0 0 0 -4,-0.8 3,-1.1 -3,-0.6 4,-0.7 0.959 110.8 49.6 -66.6 -49.5 0.3 4.6 30.6 24 14GL L H >< S+ 0 0 100 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.906 107.3 55.2 -56.6 -43.4 -0.7 7.7 32.5 25 14HL E H 3< S+ 0 0 137 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.726 104.3 54.4 -65.2 -22.1 -2.7 5.7 35.0 26 14IL S H << S+ 0 0 17 -3,-1.1 2,-1.5 -4,-0.8 -1,-0.3 0.640 86.2 88.9 -82.0 -15.2 0.3 3.6 35.8 27 14JL Y << 0 0 26 -3,-1.4 -1,-0.1 -4,-0.7 135,-0.0 -0.656 360.0 360.0 -92.2 86.8 2.5 6.6 36.6 28 14KL I 0 0 173 -2,-1.5 -1,-0.2 0, 0.0 -2,-0.1 0.800 360.0 360.0-100.1 360.0 1.7 7.0 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 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 124.8 4.5 -8.4 19.0 31 17 H V B +A 222 0A 9 191,-2.8 191,-1.6 1,-0.2 143,-0.1 -0.832 360.0 0.2 -98.7 132.3 2.5 -11.0 20.9 32 18 H E S S+ 0 0 124 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.801 102.9 118.8 63.4 33.3 -1.0 -10.2 22.3 33 19 H G - 0 0 31 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.187 55.3-121.4-104.0-158.5 -0.9 -6.6 21.1 34 20 H S E -B 185 0B 59 151,-2.1 151,-2.5 -2,-0.1 2,-0.2 -0.906 35.4 -71.8-143.4 169.1 -3.1 -4.7 18.7 35 21 H D E -B 184 0B 109 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.442 52.6-119.9 -63.7 134.6 -2.9 -2.8 15.4 36 22 H A - 0 0 6 147,-3.0 2,-0.2 -2,-0.2 -1,-0.1 -0.380 25.4-114.1 -66.4 151.7 -1.2 0.6 15.8 37 23 H E > - 0 0 39 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.515 46.8 -81.9 -77.1 156.4 -3.2 3.7 14.9 38 24 H I T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.411 117.4 4.8 -60.2 129.4 -2.0 5.8 12.0 39 25 H G T 3 S+ 0 0 11 -2,-0.1 -30,-0.3 2,-0.1 -1,-0.3 0.620 91.5 128.0 70.0 14.7 0.8 8.0 13.1 40 26 H M S < S+ 0 0 5 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.800 83.5 22.3 -70.2 -30.1 0.9 6.5 16.6 41 27 H S > + 0 0 13 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.574 69.6 166.2-137.5 68.1 4.6 5.8 16.4 42 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.8 0, 0.0 51,-0.2 0.568 75.9 60.7 -74.3 -4.8 6.1 8.2 13.9 43 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.1 103,-0.1 104,-0.1 0.429 77.1 120.0 -90.8 -4.7 9.6 7.4 15.1 44 30 H Q E < -J 60 0C 3 -3,-2.3 49,-0.9 16,-0.2 50,-0.4 -0.422 44.6-168.8 -67.6 134.4 9.3 3.7 14.2 45 31 H V E -JK 59 92C 0 14,-2.4 14,-1.3 47,-0.2 2,-0.5 -0.956 14.6-146.0-123.8 142.9 11.8 2.5 11.7 46 32 H M E -JK 58 91C 0 45,-2.6 45,-2.7 -2,-0.4 2,-0.6 -0.949 9.9-147.9-105.3 123.9 12.0 -0.7 9.7 47 33 H L E -JK 57 90C 0 10,-3.0 9,-2.9 -2,-0.5 10,-1.4 -0.852 24.5-163.8 -87.9 124.4 15.5 -2.1 9.0 48 34 H F E -JK 55 89C 0 41,-3.0 41,-2.4 -2,-0.6 2,-0.3 -0.936 16.5-134.3-121.8 126.1 15.1 -3.8 5.7 49 35 H R E > -JK 54 88C 71 5,-2.9 5,-1.0 -2,-0.5 39,-0.2 -0.610 10.2-149.8 -76.9 135.7 17.4 -6.3 4.1 50 36 H K E 5S+J 53 0C 44 37,-2.3 3,-0.3 -2,-0.3 -1,-0.1 0.876 77.8 51.1 -73.6 -39.2 18.1 -5.6 0.4 51 36AH S T 5S+ 0 0 80 1,-0.5 -1,-0.3 36,-0.4 2,-0.2 -0.890 120.7 19.1-154.2 116.0 18.6 -9.2 -0.7 52 37 H P T 5S- 0 0 82 0, 0.0 2,-0.6 0, 0.0 -1,-0.5 0.635 103.9-125.2 -67.7 153.9 16.7 -11.2 0.0 53 38 H Q E 5 +J 50 0C 68 -3,-0.3 231,-0.3 -2,-0.2 2,-0.3 -0.586 59.3 125.8 -70.8 112.2 14.1 -8.4 0.6 54 39 H E E < -J 49 0C 75 -5,-1.0 -5,-2.9 -2,-0.6 2,-0.3 -0.987 65.9 -78.4-161.7 161.7 12.9 -9.0 4.1 55 40 H L E +J 48 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.519 38.8 175.7 -66.0 129.1 12.4 -7.5 7.6 56 41 H L E - 0 0 20 -9,-2.9 2,-0.3 1,-0.4 170,-0.2 0.788 55.6 -51.6 -98.5 -45.4 15.7 -7.3 9.5 57 42 H b E -J 47 0C 1 -10,-1.4 -10,-3.0 170,-0.1 -1,-0.4 -0.975 52.0 -90.0-175.0 171.1 14.7 -5.5 12.7 58 43 H G E +J 46 0C 2 170,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.476 40.5 167.5 -90.2 176.3 13.0 -2.5 14.1 59 44 H A E -J 45 0C 0 -14,-1.3 -14,-2.4 -2,-0.2 2,-0.3 -0.932 24.3-118.6-172.3 177.4 14.7 0.8 15.0 60 45 H S E -JL 44 68C 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.6 -0.989 15.1-121.9-140.3 150.7 13.8 4.3 15.9 61 46 H L E + L 0 67C 0 -18,-2.1 86,-2.3 -2,-0.3 6,-0.2 -0.797 30.5 167.3 -90.9 120.5 14.3 7.8 14.5 62 47 H I - 0 0 21 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.517 68.7 -8.9-112.0 -9.5 16.1 10.1 16.9 63 48 H S S S- 0 0 33 3,-1.2 -1,-0.3 85,-0.1 3,-0.2 -0.931 87.2 -79.9-164.9-175.9 16.9 13.1 14.6 64 49 H D S S+ 0 0 50 -2,-0.3 74,-2.4 1,-0.2 72,-0.1 0.631 129.4 25.5 -72.0 -8.5 16.7 13.8 10.9 65 50 H R S S+ 0 0 114 72,-0.2 69,-2.9 1,-0.1 2,-0.4 0.423 109.0 76.9-131.3 -3.9 20.0 11.9 10.3 66 51 H W E - M 0 133C 7 67,-0.2 -4,-2.3 -3,-0.2 -3,-1.2 -0.948 47.9-172.9-125.7 134.6 20.3 9.3 13.1 67 52 H V E -LM 61 132C 0 65,-2.5 65,-2.5 -2,-0.4 2,-0.4 -0.966 13.0-148.7-123.6 135.6 18.5 6.0 13.8 68 53 H L E +LM 60 131C 0 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.2 -0.849 29.0 147.4-105.4 137.8 18.9 3.9 17.0 69 54 H T E - M 0 130C 0 61,-2.6 61,-2.2 -2,-0.4 2,-0.3 -0.851 48.9 -74.3-150.6-175.7 18.7 0.1 17.0 70 55 H A > - 0 0 0 -12,-0.4 3,-1.3 -2,-0.2 4,-0.4 -0.739 32.5-133.0 -86.1 140.5 20.0 -3.0 18.8 71 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 3,-1.9 0.868 105.3 63.7 -56.5 -37.1 23.6 -4.1 18.1 72 57 H H G 34 S+ 0 0 16 1,-0.3 -1,-0.2 2,-0.2 156,-0.0 0.690 90.2 67.6 -68.3 -14.2 22.4 -7.7 17.7 73 58 H b G <4 S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.759 117.4 23.4 -68.4 -25.6 20.4 -6.5 14.7 74 59 H L T <4 S+ 0 0 1 -3,-1.9 9,-2.5 -4,-0.4 2,-0.4 0.704 130.3 33.3-110.9 -31.7 23.7 -5.8 12.9 75 60 H L E < +P 82 0D 35 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.941 54.1 137.9-139.8 112.6 26.2 -8.0 14.6 76 60AH Y E > > -P 81 0D 50 5,-2.8 5,-1.9 -2,-0.4 3,-1.9 -0.589 22.0-174.1-152.2 83.6 25.7 -11.5 16.1 77 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.765 78.7 67.1 -54.2 -33.5 28.6 -13.9 15.3 78 60CH P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.798 111.3 36.9 -61.1 -24.5 27.0 -17.0 16.9 79 60DH W G < 5S- 0 0 185 -3,-1.9 3,-0.1 2,-0.1 0, 0.0 0.112 119.2-109.4-108.8 17.5 24.4 -16.8 14.1 80 60EH D T < 5 + 0 0 157 -3,-2.0 2,-0.6 1,-0.2 -5,-0.0 0.821 67.2 152.5 60.5 34.0 26.8 -15.6 11.4 81 60FH K E < +P 76 0D 41 -5,-1.9 -5,-2.8 2,-0.0 -1,-0.2 -0.860 5.2 140.6-101.6 122.1 25.2 -12.2 11.4 82 60GH N E -P 75 0D 126 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.544 26.6-170.6-158.5 83.3 27.4 -9.2 10.4 83 60HH F - 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