==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 20-FEB-07 2JH6 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.SENGER,C.CHAN,M.A.CONVERY,J.A.HUBBARD,R.J.YOUNG,G.P.SHAH,N . 289 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 59.5 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 . 76 26.3 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.1 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 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 . 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 1BC A 0 0 129 0, 0.0 147,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.5 8.5 53.6 50.7 2 1AC D > + 0 0 88 145,-0.0 3,-1.1 3,-0.0 146,-0.1 0.138 360.0 142.2-103.6 17.5 11.8 52.4 51.9 3 1 C a T 3 + 0 0 36 1,-0.2 144,-0.2 144,-0.1 145,-0.1 -0.200 59.9 17.9 -62.0 148.3 11.1 48.7 51.0 4 2 C G T 3 S+ 0 0 0 142,-2.7 238,-1.8 1,-0.2 2,-0.5 0.531 90.8 115.1 73.3 10.9 13.7 46.4 49.7 5 3 C L < - 0 0 38 -3,-1.1 -1,-0.2 141,-0.3 236,-0.1 -0.969 59.2-142.9-114.2 117.6 16.7 48.5 50.8 6 4 C R > > - 0 0 0 -2,-0.5 5,-2.4 1,-0.1 3,-1.6 -0.686 7.1-141.2 -88.0 129.1 18.8 46.7 53.4 7 5 C P T 3 5S+ 0 0 10 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.872 104.1 44.2 -52.8 -38.2 20.3 48.7 56.2 8 6 C L T 3 5S+ 0 0 31 134,-0.5 32,-0.1 31,-0.3 134,-0.0 0.470 130.4 18.3 -89.3 -0.4 23.5 46.6 56.1 9 7 C F T X>>S+ 0 0 14 -3,-1.6 5,-2.2 30,-0.1 3,-1.1 0.384 129.5 23.2-129.9 -91.3 23.8 46.6 52.4 10 8 C E G >45S+ 0 0 31 1,-0.3 3,-1.4 3,-0.2 -5,-0.1 0.861 121.6 55.1 -50.9 -44.7 22.0 49.1 50.0 11 9 C K G 34> S+ 0 0 40 2,-0.1 3,-1.2 1,-0.1 4,-0.8 0.455 85.3 98.8-127.1 0.6 26.5 36.9 45.5 19 14CC E H >> S+ 0 0 11 -3,-0.4 4,-2.0 1,-0.3 3,-0.7 0.851 80.7 64.8 -56.4 -32.8 24.1 39.7 44.4 20 14DC R H 3> S+ 0 0 142 -4,-0.4 4,-3.0 1,-0.3 -1,-0.3 0.869 93.7 61.1 -55.9 -36.6 26.4 40.3 41.4 21 14EC E H <> S+ 0 0 50 -3,-1.2 4,-1.0 1,-0.2 -1,-0.3 0.877 105.3 48.1 -56.9 -37.3 25.4 36.8 40.2 22 14FC L H XX S+ 0 0 0 -4,-0.8 4,-0.6 -3,-0.7 3,-0.5 0.947 111.6 47.6 -69.8 -48.2 21.8 38.0 40.1 23 14GC L H >< S+ 0 0 99 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.918 108.3 55.6 -58.1 -45.1 22.7 41.2 38.2 24 14HC E H 3< S+ 0 0 131 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.803 103.6 55.8 -62.0 -26.3 24.8 39.3 35.7 25 14IC S H << S+ 0 0 18 -4,-1.0 2,-1.8 -3,-0.5 -1,-0.3 0.672 85.4 85.9 -79.2 -14.2 21.8 37.0 34.9 26 14JC Y << + 0 0 25 -3,-1.6 -1,-0.2 -4,-0.6 136,-0.0 -0.512 50.8 144.3 -90.1 73.0 19.6 40.1 34.0 27 14KC I 0 0 134 -2,-1.8 -1,-0.2 -3,-0.0 -2,-0.1 0.644 360.0 360.0 -86.2 -23.0 20.8 40.2 30.4 28 15 C D 0 0 133 -3,-0.2 129,-0.0 129,-0.1 -2,-0.0 0.157 360.0 360.0 -87.1 360.0 17.6 41.2 28.5 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 D I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 127.7 17.9 24.8 51.4 31 17 D V B -A 222 0A 12 191,-2.8 191,-1.4 1,-0.2 143,-0.1 -0.875 360.0 -0.3-104.1 127.9 19.9 22.2 49.6 32 18 D E S S+ 0 0 132 -2,-0.5 -1,-0.2 141,-0.5 188,-0.2 0.837 101.0 123.4 66.7 33.2 23.4 23.2 48.3 33 19 D G - 0 0 27 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.167 53.4-124.4-101.0-159.9 23.1 26.8 49.5 34 20 D S E -B 185 0B 63 151,-2.0 151,-2.6 -2,-0.1 2,-0.1 -0.914 36.1 -69.6-144.7 170.1 25.4 28.6 51.9 35 21 D D E -B 184 0B 105 -2,-0.3 149,-0.2 149,-0.2 2,-0.1 -0.435 52.2-120.1 -62.6 132.6 25.3 30.5 55.1 36 22 D A - 0 0 5 147,-3.4 2,-0.1 -2,-0.1 -1,-0.1 -0.460 27.0-117.4 -67.3 145.2 23.5 33.9 54.8 37 23 D E > - 0 0 41 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.461 47.2 -78.5 -74.0 159.9 25.5 36.9 55.7 38 24 D I T 3 S+ 0 0 87 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.393 116.7 3.4 -62.3 130.2 24.3 39.0 58.6 39 25 D G T 3 S+ 0 0 13 -2,-0.1 -31,-0.3 2,-0.1 -1,-0.3 0.636 91.5 128.1 69.6 16.4 21.4 41.3 57.6 40 26 D M S < S+ 0 0 6 -3,-1.8 -2,-0.1 1,-0.3 -24,-0.1 0.764 82.2 23.3 -74.1 -27.4 21.4 39.8 54.1 41 27 D S S > S+ 0 0 12 -4,-0.3 3,-2.2 102,-0.1 -1,-0.3 -0.565 70.0 166.8-137.9 68.5 17.6 39.0 54.2 42 28 D P T 3 S+ 0 0 1 0, 0.0 103,-2.1 0, 0.0 51,-0.1 0.524 75.8 59.1 -72.2 -1.0 16.1 41.3 56.8 43 29 D W T 3 S+ 0 0 2 101,-0.2 18,-2.3 103,-0.1 2,-0.2 0.406 77.2 119.6 -98.7 -3.0 12.6 40.5 55.6 44 30 D Q E < -J 60 0C 2 -3,-2.2 49,-1.0 16,-0.2 50,-0.4 -0.492 45.5-169.4 -68.2 130.0 13.0 36.8 56.4 45 31 D V E -JK 59 92C 0 14,-2.1 14,-1.1 -2,-0.2 2,-0.5 -0.930 16.3-141.2-122.1 142.5 10.5 35.6 58.9 46 32 D M E -JK 58 91C 0 45,-3.1 45,-2.9 -2,-0.4 2,-0.7 -0.925 11.7-145.2-101.8 126.5 10.4 32.4 60.9 47 33 D L E -JK 57 90C 0 10,-3.4 9,-3.0 -2,-0.5 10,-1.1 -0.845 27.0-166.3 -89.9 119.5 6.9 30.9 61.4 48 34 D F E -JK 55 89C 0 41,-3.5 41,-2.8 -2,-0.7 2,-0.4 -0.913 19.2-139.6-120.2 128.8 7.2 29.3 64.9 49 35 D R E > -JK 54 88C 72 5,-3.1 5,-1.3 -2,-0.4 39,-0.2 -0.738 12.9-144.9 -83.1 129.8 4.8 26.8 66.6 50 36 D K T 5S+ 0 0 44 37,-2.1 3,-0.3 -2,-0.4 -1,-0.1 0.930 78.2 46.6 -58.0 -52.8 4.4 27.6 70.3 51 37 D S T 5S+ 0 0 97 1,-0.4 -1,-0.2 36,-0.4 2,-0.1 -0.950 117.8 22.9-152.3 129.1 4.1 23.9 71.4 52 37AD P T 5S- 0 0 82 0, 0.0 -1,-0.4 0, 0.0 -3,-0.1 0.543 106.2-123.6 -68.8 141.0 5.8 21.8 70.7 53 38 D Q T 5 + 0 0 54 -3,-0.3 2,-0.3 -2,-0.1 231,-0.2 -0.345 56.6 131.7 -55.8 122.4 8.3 24.6 69.9 54 39 D E E < -J 49 0C 70 -5,-1.3 -5,-3.1 -2,-0.1 2,-0.4 -0.958 61.3 -94.4-172.6 153.9 9.4 24.2 66.3 55 40 D L E +J 48 0C 28 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.608 34.8 174.2 -72.6 127.8 10.0 25.8 63.0 56 41 D L E - 0 0 26 -9,-3.0 2,-0.3 1,-0.4 170,-0.2 0.806 56.8 -42.5 -97.5 -46.5 6.9 25.5 60.8 57 42 D b E -J 47 0C 6 -10,-1.1 -10,-3.4 170,-0.1 -1,-0.4 -0.962 54.4 -90.7-169.0 172.9 7.9 27.5 57.8 58 43 D G E +J 46 0C 2 170,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.397 39.7 169.4 -91.0 177.4 9.5 30.7 56.4 59 44 D A E -J 45 0C 0 -14,-1.1 -14,-2.1 -2,-0.1 2,-0.3 -0.909 23.4-118.8-173.6 178.2 7.6 33.8 55.7 60 45 D S E -JL 44 68C 0 8,-2.7 8,-3.0 -2,-0.3 2,-0.6 -1.000 13.0-122.6-146.8 146.8 8.4 37.5 54.8 61 46 D L E + L 0 67C 0 -18,-2.3 86,-2.4 -2,-0.3 6,-0.2 -0.746 29.7 167.8 -87.4 118.9 7.9 40.9 56.2 62 47 D I - 0 0 23 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.508 69.8 -14.2-109.0 -9.1 6.1 43.3 53.8 63 48 D S S S- 0 0 36 3,-1.1 -1,-0.2 85,-0.1 75,-0.1 -0.907 87.5 -76.8-168.3-173.4 5.3 46.2 56.2 64 49 D D S S+ 0 0 70 -2,-0.3 74,-2.1 1,-0.2 72,-0.1 0.664 130.0 28.7 -75.6 -13.0 5.4 46.8 60.0 65 50 D R S S+ 0 0 59 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.457 109.1 76.1-120.5 -7.4 2.1 44.9 60.5 66 51 D W E - M 0 133C 10 67,-0.2 -4,-2.4 65,-0.0 -3,-1.1 -0.943 46.6-176.4-123.7 134.7 2.0 42.3 57.6 67 52 D V E -LM 61 132C 0 65,-2.2 65,-2.4 -2,-0.4 2,-0.4 -0.977 15.0-148.7-123.9 132.3 3.8 39.0 57.0 68 53 D L E +LM 60 131C 0 -8,-3.0 -8,-2.7 -2,-0.4 2,-0.3 -0.804 28.9 148.3-102.5 140.4 3.4 37.0 53.8 69 54 D T E - M 0 130C 0 61,-2.2 61,-2.1 -2,-0.4 2,-0.4 -0.898 49.5 -73.0-152.8-178.1 3.7 33.2 53.7 70 55 D A > - 0 0 0 -12,-0.4 3,-1.7 -2,-0.3 4,-0.5 -0.719 34.1-133.2 -84.9 135.8 2.4 30.1 51.9 71 56 D A G >> S+ 0 0 0 -2,-0.4 4,-2.9 1,-0.3 3,-1.9 0.878 104.7 62.4 -53.2 -39.1 -1.3 29.1 52.6 72 57 D H G 34 S+ 0 0 26 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.614 90.6 66.4 -69.2 -12.7 -0.2 25.4 53.1 73 58 D b G <4 S+ 0 0 1 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.720 118.1 25.1 -73.5 -24.2 2.0 26.4 56.1 74 59 D L T <4 S+ 0 0 2 -3,-1.9 9,-2.4 -4,-0.5 2,-0.4 0.728 130.1 32.7-107.6 -37.2 -1.3 27.3 57.9 75 60 D L E < +P 82 0D 29 -4,-2.9 -1,-0.3 7,-0.2 7,-0.2 -0.962 54.1 139.0-135.7 114.6 -4.0 25.2 56.2 76 60AD Y E > > -P 81 0D 54 5,-3.2 3,-2.3 -2,-0.4 5,-1.9 -0.526 21.8-174.1-152.9 78.9 -3.5 21.7 54.7 77 60BD P G > 5S+ 0 0 43 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.757 78.9 67.7 -42.6 -40.6 -6.5 19.5 55.6 78 60CD P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.717 111.5 35.2 -58.6 -22.9 -5.0 16.3 54.1 79 60DD W G < 5S- 0 0 190 -3,-2.3 3,-0.1 2,-0.1 0, 0.0 0.150 119.4-108.1-111.1 13.8 -2.4 16.3 56.9 80 60ED D T < 5 + 0 0 156 -3,-2.2 2,-0.7 1,-0.2 -5,-0.0 0.821 67.7 152.0 57.6 36.5 -4.8 17.7 59.5 81 60FD K E < +P 76 0D 51 -5,-1.9 -5,-3.2 1,-0.1 -1,-0.2 -0.884 3.5 139.6 -99.3 116.3 -3.1 21.1 59.5 82 60GD N E -P 75 0D 121 -2,-0.7 -7,-0.2 -7,-0.2 -8,-0.1 -0.495 30.5-167.5-152.1 75.6 -5.3 24.0 60.4 83 60HD F - 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