==== 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 3RLY . 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) . 13245.0 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 . 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 . 37 12.8 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 88 0, 0.0 3,-1.6 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -61.8 15.1 17.3 18.4 2 1BL A T 3 + 0 0 87 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.873 360.0 33.6 -57.2 -39.3 13.3 20.3 19.8 3 1AL D T > S+ 0 0 74 144,-0.0 3,-1.4 3,-0.0 -1,-0.3 0.087 88.9 146.5-106.2 24.9 9.9 18.6 18.9 4 1 L a T < + 0 0 20 -3,-1.6 143,-0.2 1,-0.2 144,-0.1 -0.228 64.6 19.1 -58.2 147.1 11.1 15.1 19.6 5 2 L G T 3 S+ 0 0 0 141,-2.8 237,-2.0 1,-0.2 2,-0.6 0.538 91.8 113.7 75.0 7.2 8.4 12.8 21.0 6 3 L L < - 0 0 45 -3,-1.4 -1,-0.2 140,-0.3 235,-0.1 -0.946 61.6-141.2-113.3 108.3 5.4 14.8 20.0 7 4 L R > > - 0 0 0 -2,-0.6 5,-2.5 1,-0.1 3,-1.4 -0.528 5.8-139.2 -78.4 132.5 3.4 12.9 17.3 8 5 L P T 3 5S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.857 104.0 42.5 -54.0 -38.4 2.0 14.9 14.4 9 6 L L T 3 5S+ 0 0 32 133,-0.5 31,-0.1 30,-0.3 -2,-0.1 0.456 130.6 19.3 -92.8 0.7 -1.3 12.9 14.5 10 7 L F T X >S+ 0 0 14 -3,-1.4 5,-2.3 29,-0.1 3,-1.4 0.420 128.7 24.1-129.3 -90.8 -1.7 12.9 18.3 11 8 L E G > 5S+ 0 0 32 1,-0.3 3,-1.4 3,-0.2 -5,-0.1 0.877 119.4 58.1 -51.8 -42.5 0.1 15.3 20.6 12 9 L K G 3 > S+ 0 0 44 2,-0.1 3,-1.2 1,-0.1 4,-0.8 0.395 85.5 100.2-128.9 4.4 -4.3 3.0 25.0 20 14CL E H >> S+ 0 0 13 -3,-0.4 4,-1.9 1,-0.3 3,-0.7 0.834 78.0 66.0 -62.0 -28.9 -2.0 5.8 26.2 21 14DL R H 3> S+ 0 0 134 -4,-0.4 4,-2.7 1,-0.3 -1,-0.3 0.841 91.9 63.0 -60.0 -32.2 -4.2 6.4 29.2 22 14EL E H <> S+ 0 0 39 -3,-1.2 4,-0.8 2,-0.2 -1,-0.3 0.877 104.4 47.5 -57.8 -38.5 -3.2 2.9 30.4 23 14FL L H XX S+ 0 0 0 -4,-0.8 3,-1.2 -3,-0.7 4,-0.7 0.960 111.2 49.5 -67.7 -48.8 0.4 4.1 30.6 24 14GL L H >< S+ 0 0 92 -4,-1.9 3,-1.4 1,-0.3 -2,-0.2 0.903 107.1 55.5 -58.1 -43.3 -0.6 7.3 32.5 25 14HL E H 3< S+ 0 0 132 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.736 103.8 55.3 -63.7 -22.7 -2.6 5.3 35.0 26 14IL S H << S+ 0 0 16 -3,-1.2 2,-1.9 -4,-0.8 -1,-0.3 0.624 84.2 86.6 -82.9 -13.5 0.4 3.1 35.8 27 14JL Y << 0 0 27 -3,-1.4 -1,-0.2 -4,-0.7 136,-0.1 -0.559 360.0 360.0 -90.7 75.1 2.6 6.2 36.7 28 14KL I 0 0 170 -2,-1.9 -2,-0.1 -3,-0.0 -3,-0.1 -0.551 360.0 360.0 -88.6 360.0 1.4 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 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.5 4.5 -8.8 19.1 31 17 H V B -A 222 0A 10 191,-2.8 191,-1.5 1,-0.2 143,-0.1 -0.829 360.0 -0.5 -98.8 132.1 2.4 -11.5 21.0 32 18 H E S S+ 0 0 128 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.800 102.4 119.9 61.1 32.5 -1.0 -10.6 22.3 33 19 H G - 0 0 31 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.184 55.2-120.5-100.8-157.7 -0.9 -7.0 21.2 34 20 H S E -B 185 0B 60 151,-2.2 151,-2.5 -2,-0.1 2,-0.1 -0.911 35.3 -73.2-142.5 167.5 -3.1 -5.1 18.8 35 21 H D E -B 184 0B 110 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.431 52.6-119.4 -62.7 134.4 -2.9 -3.2 15.5 36 22 H A - 0 0 7 147,-3.0 2,-0.2 -2,-0.1 -1,-0.1 -0.361 25.2-114.2 -66.0 151.9 -1.2 0.1 15.8 37 23 H E > - 0 0 39 1,-0.1 3,-2.0 -2,-0.0 4,-0.3 -0.533 46.8 -82.1 -77.3 155.1 -3.2 3.3 15.0 38 24 H I T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.406 117.2 4.7 -58.2 128.8 -2.0 5.3 12.0 39 25 H G T 3 S+ 0 0 11 -2,-0.1 -30,-0.3 2,-0.1 -1,-0.3 0.606 91.2 128.1 72.2 13.0 0.9 7.5 13.1 40 26 H M S < S+ 0 0 5 -3,-2.0 -2,-0.1 1,-0.3 -33,-0.1 0.807 83.3 22.2 -69.5 -30.6 0.9 6.0 16.6 41 27 H S > + 0 0 12 -4,-0.3 3,-2.2 1,-0.1 -1,-0.3 -0.596 69.8 166.5-137.2 69.6 4.6 5.3 16.5 42 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.584 75.5 60.7 -74.9 -5.1 6.1 7.6 13.9 43 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.1 103,-0.1 104,-0.1 0.436 77.2 120.6 -91.0 -4.8 9.7 6.9 15.1 44 30 H Q E < -J 60 0C 3 -3,-2.2 49,-0.9 16,-0.2 50,-0.4 -0.414 44.2-169.3 -66.5 133.8 9.3 3.2 14.2 45 31 H V E -JK 59 92C 0 14,-2.5 14,-1.3 47,-0.2 2,-0.5 -0.953 15.1-145.7-124.0 141.5 11.8 2.0 11.7 46 32 H M E -JK 58 91C 0 45,-2.6 45,-2.7 -2,-0.4 2,-0.6 -0.948 10.8-145.9-103.5 124.7 12.0 -1.3 9.7 47 33 H L E -JK 57 90C 1 10,-3.0 9,-3.0 -2,-0.5 10,-1.3 -0.839 25.3-163.3 -84.7 122.1 15.5 -2.7 9.0 48 34 H F E -JK 55 89C 0 41,-3.0 41,-2.5 -2,-0.6 2,-0.3 -0.933 15.8-134.6-120.7 127.4 15.1 -4.3 5.6 49 35 H R E > -JK 54 88C 67 5,-2.9 5,-1.0 -2,-0.5 39,-0.2 -0.615 10.4-148.0 -77.0 135.3 17.5 -6.8 4.0 50 36 H K E 5S+J 53 0C 40 37,-2.4 3,-0.3 -2,-0.3 -1,-0.1 0.867 78.3 49.6 -73.0 -37.6 18.2 -6.1 0.4 51 36AH S T 5S+ 0 0 89 1,-0.5 -1,-0.3 36,-0.4 2,-0.2 -0.864 120.2 19.4-158.5 117.7 18.6 -9.7 -0.8 52 37 H P T 5S- 0 0 80 0, 0.0 -1,-0.5 0, 0.0 2,-0.5 0.613 103.6-124.4 -69.9 154.0 16.6 -11.7 -0.1 53 38 H Q E 5 +J 50 0C 63 -3,-0.3 231,-0.3 -2,-0.2 2,-0.3 -0.552 59.2 125.1 -69.4 115.9 14.1 -8.9 0.6 54 39 H E E < -J 49 0C 79 -5,-1.0 -5,-2.9 -2,-0.5 2,-0.2 -0.986 65.1 -80.9-166.0 159.3 12.9 -9.5 4.1 55 40 H L E +J 48 0C 33 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.514 38.0 174.2 -68.0 132.6 12.4 -7.9 7.5 56 41 H L E - 0 0 27 -9,-3.0 2,-0.3 1,-0.4 170,-0.2 0.764 56.1 -44.4-105.3 -39.6 15.6 -8.0 9.6 57 42 H b E -J 47 0C 1 -10,-1.3 -10,-3.0 170,-0.1 -1,-0.4 -0.977 52.4 -93.9-174.0 170.8 14.7 -6.0 12.7 58 43 H G E +J 46 0C 2 170,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.501 40.0 165.9 -91.9 174.9 13.0 -3.0 14.2 59 44 H A E -J 45 0C 0 -14,-1.3 -14,-2.5 -2,-0.2 2,-0.3 -0.924 24.9-117.6-172.1 179.0 14.7 0.2 15.0 60 45 H S E -JL 44 68C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.6 -0.986 14.6-122.2-141.0 150.4 13.8 3.8 15.9 61 46 H L E + L 0 67C 0 -18,-2.1 86,-2.3 -2,-0.3 6,-0.2 -0.807 30.0 167.2 -91.2 122.0 14.3 7.3 14.5 62 47 H I - 0 0 18 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.528 68.6 -8.8-113.6 -9.5 16.1 9.7 16.9 63 48 H S S S- 0 0 31 3,-1.1 -1,-0.3 85,-0.1 3,-0.1 -0.927 87.0 -79.9-164.7-176.0 16.9 12.5 14.5 64 49 H D S S+ 0 0 74 -2,-0.3 74,-2.3 1,-0.2 72,-0.1 0.636 129.2 25.7 -72.2 -8.1 16.8 13.3 10.8 65 50 H R S S+ 0 0 60 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.431 109.5 77.0-130.5 -6.0 20.1 11.3 10.2 66 51 H W E - M 0 133C 10 67,-0.2 -4,-2.4 -3,-0.1 -3,-1.1 -0.943 47.6-174.0-124.4 133.4 20.3 8.8 13.0 67 52 H V E -LM 61 132C 0 65,-2.5 65,-2.5 -2,-0.4 2,-0.4 -0.964 13.5-148.8-123.3 136.3 18.6 5.5 13.7 68 53 H L E +LM 60 131C 0 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.2 -0.845 28.6 147.7-106.3 138.2 18.9 3.4 16.9 69 54 H T E - M 0 130C 0 61,-2.6 61,-2.2 -2,-0.4 2,-0.3 -0.857 48.7 -74.1-150.3-174.1 18.7 -0.4 17.0 70 55 H A > - 0 0 0 -12,-0.4 3,-1.3 -2,-0.2 4,-0.4 -0.734 32.7-133.5 -88.3 140.4 20.0 -3.5 18.8 71 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 3,-2.0 0.872 104.9 63.8 -57.7 -37.6 23.6 -4.6 18.1 72 57 H H G 34 S+ 0 0 15 1,-0.3 -1,-0.2 2,-0.2 156,-0.0 0.679 90.6 67.1 -66.5 -14.8 22.4 -8.2 17.7 73 58 H b G <4 S+ 0 0 1 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.743 117.4 23.8 -68.5 -25.1 20.4 -7.1 14.7 74 59 H L T <4 S+ 0 0 1 -3,-2.0 9,-2.5 -4,-0.4 2,-0.4 0.706 129.9 33.3-111.3 -30.8 23.6 -6.4 12.9 75 60 H L E < +P 82 0D 31 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.951 54.9 137.2-139.7 113.1 26.2 -8.6 14.6 76 60AH Y E > > -P 81 0D 51 5,-2.9 3,-1.9 -2,-0.4 5,-1.9 -0.549 21.5-175.0-154.3 82.6 25.7 -12.0 16.1 77 60BH P G > 5S+ 0 0 47 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.762 78.5 68.3 -52.9 -35.1 28.5 -14.5 15.3 78 60CH P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.802 111.6 36.1 -58.4 -24.5 26.9 -17.5 16.9 79 60DH W G < 5S- 0 0 183 -3,-1.9 3,-0.1 2,-0.1 -3,-0.0 0.090 119.1-108.7-111.4 19.9 24.3 -17.4 14.1 80 60EH D T < 5 + 0 0 154 -3,-2.1 2,-0.6 1,-0.2 -5,-0.0 0.807 67.9 151.5 60.3 32.4 26.7 -16.2 11.4 81 60FH K E < +P 76 0D 43 -5,-1.9 -5,-2.9 2,-0.0 -1,-0.2 -0.857 4.7 140.4-100.3 121.6 25.2 -12.7 11.4 82 60GH N E -P 75 0D 125 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.500 27.1-171.1-157.6 80.7 27.4 -9.8 10.4 83 60HH F - 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