==== 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 24-JAN-08 3C27 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.C.SPURLINO,M.MCMILLAN,F.LEWANDOWSKI,C.MILLIGAN . 286 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 61.9 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 27.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.4 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 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 . 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 7 A A 0 0 132 0, 0.0 145,-0.0 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 -90.8 13.8 19.2 19.9 2 8 A D > + 0 0 67 143,-0.0 3,-1.2 3,-0.0 144,-0.1 0.037 360.0 152.5 -96.6 23.0 10.2 18.5 19.0 3 9 A a T 3 + 0 0 27 1,-0.2 142,-0.2 142,-0.1 143,-0.1 -0.122 53.4 13.7 -62.9 148.0 10.9 14.9 20.1 4 10 A G T 3 S+ 0 0 0 140,-2.4 235,-1.5 234,-0.2 2,-0.6 0.501 92.0 113.6 73.9 6.9 8.2 12.6 21.5 5 11 A L < - 0 0 31 -3,-1.2 -1,-0.1 139,-0.3 233,-0.1 -0.922 60.3-143.1-113.1 106.7 5.2 14.7 20.3 6 12 A R > > - 0 0 0 -2,-0.6 5,-2.1 1,-0.1 3,-1.6 -0.511 7.4-139.3 -75.1 128.5 3.2 12.9 17.6 7 13 A P T 3 5S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.864 103.9 43.5 -49.8 -40.6 1.7 15.0 14.8 8 14 A L T 3 5S+ 0 0 31 132,-0.5 30,-0.1 29,-0.3 -2,-0.0 0.486 129.4 18.5 -90.8 -0.6 -1.5 13.0 14.8 9 15 A F T X>>S+ 0 0 14 -3,-1.6 3,-2.3 28,-0.1 5,-2.2 0.434 125.8 26.7-128.6 -91.7 -1.9 12.9 18.6 10 16 A E G >45S+ 0 0 31 1,-0.3 3,-1.1 3,-0.2 -5,-0.1 0.850 120.8 55.4 -48.4 -43.1 -0.2 15.2 21.1 11 17 A K G 34 - 0 0 5 -2,-0.4 3,-0.7 22,-0.1 4,-0.5 -0.350 37.7 -96.1 -75.2 165.2 -4.5 7.1 21.3 17 23 A K T 3 S+ 0 0 176 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.703 115.8 23.2 -57.0 -30.8 -6.6 4.2 22.4 18 24 A T T >> S+ 0 0 45 2,-0.1 3,-1.2 1,-0.1 4,-0.8 0.353 87.2 104.7-123.9 7.0 -4.4 2.7 25.2 19 25 A E H X> S+ 0 0 2 -3,-0.7 4,-1.4 1,-0.3 3,-1.1 0.883 76.2 62.8 -52.7 -43.6 -2.3 5.7 26.2 20 26 A R H 3> S+ 0 0 125 -4,-0.5 4,-2.2 1,-0.3 -1,-0.3 0.784 92.4 63.6 -53.5 -35.9 -4.4 6.1 29.3 21 27 A E H <> S+ 0 0 45 -3,-1.2 4,-0.8 1,-0.2 -1,-0.3 0.862 103.1 49.1 -60.1 -36.9 -3.3 2.7 30.6 22 28 A L H XX S+ 0 0 0 -3,-1.1 3,-0.9 -4,-0.8 4,-0.5 0.956 111.7 46.3 -67.8 -50.8 0.3 3.9 30.8 23 29 A L H >< S+ 0 0 43 -4,-1.4 3,-0.9 1,-0.3 -2,-0.2 0.843 108.1 57.1 -66.2 -30.7 -0.5 7.1 32.7 24 30 A E H 3< S+ 0 0 145 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.767 101.6 57.6 -70.0 -22.6 -2.7 5.3 35.2 25 31 A S H << 0 0 27 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.611 360.0 360.0 -82.4 -13.3 0.2 3.0 36.1 26 32 A Y << 0 0 70 -3,-0.9 -2,-0.1 -4,-0.5 -3,-0.1 0.762 360.0 360.0 -86.6 360.0 2.4 6.0 37.1 27 !* 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 28 37 B I 0 0 0 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.5 4.4 -9.0 19.4 29 38 B V B +A 219 0A 8 190,-2.7 190,-1.4 1,-0.2 143,-0.1 -0.836 360.0 3.0-100.2 135.2 2.4 -11.7 21.3 30 39 B E S S+ 0 0 124 141,-0.5 -1,-0.2 -2,-0.4 187,-0.1 0.807 101.5 130.1 60.9 32.8 -1.1 -10.7 22.7 31 40 B G - 0 0 24 -3,-0.4 2,-0.3 140,-0.1 152,-0.2 -0.218 50.3-125.0 -97.8-165.9 -0.8 -7.2 21.2 32 41 B S E -B 182 0B 73 150,-2.0 150,-2.8 -2,-0.1 2,-0.2 -0.924 35.9 -80.7-138.1 160.2 -3.2 -5.2 19.1 33 42 B D E -B 181 0B 103 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.455 50.5-124.4 -60.4 127.6 -3.1 -3.4 15.8 34 43 B A - 0 0 7 146,-3.3 2,-0.2 -2,-0.2 -1,-0.1 -0.308 24.2-111.9 -66.0 158.1 -1.4 -0.0 16.2 35 44 B E > - 0 0 46 1,-0.1 3,-2.1 -2,-0.0 4,-0.3 -0.624 45.3 -83.4 -85.3 155.1 -3.3 3.1 15.1 36 45 B I T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.377 117.3 6.4 -57.8 129.5 -1.9 5.1 12.1 37 46 B G T 3 S+ 0 0 12 104,-0.1 -29,-0.3 55,-0.1 -1,-0.3 0.557 91.6 125.8 72.7 7.1 0.8 7.5 13.3 38 47 B M S < S+ 0 0 6 -3,-2.1 -2,-0.1 1,-0.3 -32,-0.1 0.790 84.7 22.0 -64.5 -29.2 0.7 6.0 16.9 39 48 B S > + 0 0 12 -4,-0.3 3,-2.0 102,-0.1 -1,-0.3 -0.550 69.9 166.8-142.0 68.4 4.4 5.2 16.8 40 49 B P T 3 S+ 0 0 2 0, 0.0 103,-2.0 0, 0.0 99,-0.1 0.506 75.0 61.6 -72.7 -4.4 6.0 7.6 14.2 41 50 B W T 3 S+ 0 0 2 101,-0.2 18,-2.1 103,-0.1 2,-0.2 0.441 77.2 118.1 -93.5 -4.0 9.6 6.8 15.5 42 51 B Q E < -J 58 0C 4 -3,-2.0 49,-0.9 16,-0.2 2,-0.4 -0.441 45.8-168.7 -68.4 131.1 9.2 3.1 14.6 43 52 B V E -JK 57 90C 0 14,-2.3 14,-1.2 -2,-0.2 2,-0.5 -0.942 14.8-141.5-124.0 141.4 11.7 1.9 12.0 44 53 B M E -JK 56 89C 0 45,-2.4 45,-2.4 -2,-0.4 2,-0.7 -0.913 11.0-144.4-103.1 126.8 11.8 -1.3 10.1 45 54 B L E -JK 55 88C 0 10,-3.4 9,-3.4 -2,-0.5 10,-1.1 -0.836 25.5-166.7 -88.7 118.2 15.2 -2.9 9.5 46 55 B F E -JK 53 87C 0 41,-3.2 41,-2.3 -2,-0.7 2,-0.3 -0.927 16.4-136.7-120.6 123.0 14.9 -4.4 6.1 47 56 B R E > -JK 52 86C 75 5,-3.0 5,-0.9 -2,-0.5 39,-0.2 -0.574 9.9-145.1 -77.0 132.5 17.3 -6.9 4.5 48 57 B K T 5S+ 0 0 20 37,-2.2 3,-0.2 -2,-0.3 -1,-0.1 0.937 78.8 45.2 -63.6 -50.8 18.1 -6.2 0.8 49 58 B S T 5S+ 0 0 92 1,-0.4 -1,-0.3 36,-0.3 2,-0.2 -0.927 119.4 21.7-153.4 127.6 18.4 -9.9 -0.3 50 59 B P T 5S- 0 0 75 0, 0.0 2,-0.7 0, 0.0 -1,-0.4 0.623 104.1-122.8 -65.5 155.3 16.6 -12.0 0.4 51 60 B Q T 5 + 0 0 56 -3,-0.2 2,-0.3 -2,-0.2 229,-0.3 -0.587 57.5 134.2 -71.0 112.0 14.0 -9.3 1.0 52 61 B E E < -J 47 0C 70 -5,-0.9 -5,-3.0 -2,-0.7 2,-0.3 -0.994 61.5 -92.0-157.0 157.0 12.9 -9.8 4.6 53 62 B L E +J 46 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.563 38.0 175.9 -66.7 126.7 12.2 -8.1 7.9 54 63 B L E - 0 0 23 -9,-3.4 2,-0.3 1,-0.4 169,-0.2 0.809 53.5 -45.1 -98.5 -42.8 15.3 -8.1 10.1 55 64 B b E -J 45 0C 2 -10,-1.1 -10,-3.4 169,-0.1 -1,-0.4 -0.970 53.0 -94.3-176.7 165.9 14.4 -6.1 13.2 56 65 B G E +J 44 0C 2 169,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.475 39.1 170.4 -90.8 176.1 12.7 -3.0 14.6 57 66 B A E -J 43 0C 0 -14,-1.2 -14,-2.3 -2,-0.2 2,-0.3 -0.910 23.1-120.9-169.1-179.9 14.6 0.2 15.4 58 67 B S E -JL 42 66C 0 8,-2.0 8,-3.2 -2,-0.3 2,-0.5 -0.992 13.9-124.6-143.5 149.2 13.7 3.7 16.4 59 68 B L E + L 0 65C 0 -18,-2.1 86,-2.2 -2,-0.3 6,-0.2 -0.804 27.8 169.6 -95.4 123.5 14.3 7.2 15.0 60 69 B I - 0 0 23 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.487 69.1 -4.2-116.6 -8.0 16.0 9.6 17.4 61 70 B S S S- 0 0 35 3,-1.1 -1,-0.3 85,-0.1 3,-0.1 -0.928 88.4 -81.3-162.0-175.9 16.8 12.5 15.1 62 71 B D S S+ 0 0 74 -2,-0.3 74,-2.6 1,-0.2 72,-0.1 0.632 129.5 25.4 -68.7 -8.9 16.6 13.3 11.3 63 72 B R S S+ 0 0 46 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.485 107.5 75.9-132.7 -10.2 19.8 11.3 10.8 64 73 B W E - M 0 131C 13 67,-0.2 -4,-2.3 -3,-0.1 -3,-1.1 -0.925 48.8-168.0-120.8 137.4 20.2 8.7 13.6 65 74 B V E -LM 59 130C 0 65,-2.2 65,-2.3 -2,-0.4 2,-0.4 -0.966 10.7-150.1-123.3 135.2 18.5 5.3 14.2 66 75 B L E +LM 58 129C 0 -8,-3.2 -8,-2.0 -2,-0.4 2,-0.2 -0.889 29.5 143.9-109.5 133.5 18.7 3.4 17.4 67 76 B T E - M 0 128C 0 61,-2.4 61,-2.4 -2,-0.4 2,-0.3 -0.847 48.9 -73.9-150.4-173.6 18.5 -0.4 17.5 68 77 B A > - 0 0 0 -12,-0.4 3,-1.0 59,-0.3 4,-0.4 -0.718 30.9-133.9 -93.3 141.6 19.9 -3.6 19.3 69 78 B A G >> S+ 0 0 0 -2,-0.3 4,-3.1 1,-0.2 3,-1.8 0.862 104.0 63.6 -59.0 -38.0 23.4 -4.9 18.6 70 79 B H G 34 S+ 0 0 18 1,-0.3 -1,-0.2 2,-0.2 176,-0.0 0.721 90.7 68.1 -67.3 -16.9 22.2 -8.5 18.2 71 80 B b G <4 S+ 0 0 2 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.804 117.4 21.9 -64.2 -32.4 20.2 -7.3 15.1 72 81 B L T <4 S+ 0 0 2 -3,-1.8 9,-2.5 -4,-0.4 2,-0.5 0.784 130.0 34.5-104.5 -39.0 23.5 -6.7 13.3 73 82 B L E < +P 80 0D 38 -4,-3.1 -1,-0.3 7,-0.2 7,-0.2 -0.957 54.2 135.3-134.1 114.0 26.0 -8.8 15.0 74 83 B Y E > > -P 79 0D 51 5,-2.7 3,-2.4 -2,-0.5 5,-1.6 -0.516 24.5-170.9-155.0 83.6 25.6 -12.3 16.6 75 84 B P G > 5S+ 0 0 50 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.735 79.4 70.4 -50.0 -35.6 28.4 -14.8 15.7 76 85 B P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.687 111.2 34.5 -58.8 -16.9 26.7 -17.9 17.3 77 86 B W G < 5S- 0 0 174 -3,-2.4 3,-0.1 2,-0.1 -3,-0.0 0.045 118.6-109.5-118.1 20.8 24.1 -17.6 14.4 78 87 B D T < 5 + 0 0 155 -3,-2.4 2,-0.6 1,-0.2 -5,-0.0 0.880 65.8 157.1 50.8 41.0 26.7 -16.4 11.8 79 88 B K E < +P 74 0D 48 -5,-1.6 -5,-2.7 1,-0.0 -1,-0.2 -0.873 5.0 140.4 -99.3 121.3 25.0 -13.0 11.9 80 89 B N E -P 73 0D 114 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.453 23.2-177.6-157.8 79.1 27.1 -10.1 10.8 81 90 B F - 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