==== 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 18-APR-07 2PKS . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.XUE . 286 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12952.0 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 . 77 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 . 21 7.3 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 . 26 9.1 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 1 1 1 0 1 0 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 . 3 5 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 0 126 0, 0.0 146,-0.0 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 123.5 13.9 20.2 18.6 2 8 A D > + 0 0 71 144,-0.0 3,-1.7 2,-0.0 145,-0.1 0.141 360.0 153.6 -88.6 15.6 10.3 19.3 18.1 3 9 A a T 3 + 0 0 26 1,-0.2 143,-0.3 143,-0.1 144,-0.1 -0.041 58.3 16.1 -52.7 145.9 11.2 15.8 19.3 4 10 A G T 3 S+ 0 0 0 141,-2.8 237,-1.7 236,-0.2 2,-0.6 0.266 93.3 109.1 82.3 -10.9 8.4 13.8 21.0 5 11 A L < - 0 0 37 -3,-1.7 -1,-0.1 140,-0.2 235,-0.1 -0.901 61.1-143.6-102.7 115.2 5.4 15.8 19.7 6 12 A R > > - 0 0 0 -2,-0.6 5,-1.8 1,-0.1 3,-1.0 -0.582 7.9-139.0 -86.1 127.0 3.4 13.9 17.1 7 13 A P T 3 5S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.883 103.8 41.7 -50.5 -34.3 1.9 15.9 14.2 8 14 A L T 3 5S+ 0 0 33 133,-0.5 31,-0.1 30,-0.3 133,-0.1 0.603 129.5 20.8 -91.6 -9.4 -1.4 13.8 14.4 9 15 A F T X >S+ 0 0 13 -3,-1.0 5,-2.8 29,-0.2 3,-1.5 0.607 126.3 26.3-119.6 -86.2 -1.7 13.7 18.1 10 16 A E G > 5S+ 0 0 29 1,-0.3 3,-1.2 3,-0.2 -5,-0.1 0.845 122.1 51.2 -53.7 -46.9 -0.0 16.1 20.5 11 17 A K G 3 > S+ 0 0 41 2,-0.1 3,-2.2 1,-0.1 4,-0.9 0.606 84.3 101.0-126.0 -7.0 -4.1 4.0 24.9 19 25 A E H 3> S+ 0 0 2 1,-0.3 4,-1.5 2,-0.2 3,-0.4 0.823 82.5 65.2 -48.9 -29.3 -1.7 6.7 25.9 20 26 A R H 3> S+ 0 0 130 -4,-0.4 4,-2.6 1,-0.3 -1,-0.3 0.832 90.7 62.6 -65.9 -31.8 -3.9 7.2 29.0 21 27 A E H <> S+ 0 0 36 -3,-2.2 4,-1.6 2,-0.2 -1,-0.3 0.930 104.2 50.5 -54.9 -44.2 -2.9 3.7 30.2 22 28 A L H < S+ 0 0 0 -4,-0.9 4,-0.5 -3,-0.4 141,-0.5 0.940 110.3 46.3 -60.7 -50.9 0.6 5.1 30.4 23 29 A L H >< S+ 0 0 41 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.849 108.4 57.1 -61.8 -38.4 -0.2 8.2 32.4 24 30 A E H >< S+ 0 0 123 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.926 96.6 64.3 -55.1 -46.6 -2.3 6.3 34.8 25 31 A S T 3< S+ 0 0 12 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.684 83.3 73.6 -57.2 -22.0 0.6 4.0 35.6 26 32 A Y T < 0 0 26 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.1 0.292 360.0 360.0 -72.7 15.1 2.5 6.9 37.1 27 33 A I < 0 0 191 -3,-1.4 -1,-0.2 0, 0.0 -2,-0.1 0.601 360.0 360.0 -12.9 360.0 -0.0 6.5 40.0 28 !* 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 29 37 B I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 129.2 4.6 -8.0 19.3 30 38 B V B +A 221 0A 14 191,-2.3 191,-1.5 1,-0.2 143,-0.1 -0.876 360.0 3.3-100.3 125.8 2.6 -10.8 21.0 31 39 B E S S+ 0 0 132 -2,-0.5 -1,-0.2 141,-0.5 2,-0.2 0.897 99.3 122.3 67.7 46.0 -0.9 -9.7 22.3 32 40 B G - 0 0 30 -3,-0.4 2,-0.2 153,-0.1 153,-0.2 -0.490 53.9-109.5-119.6-167.4 -1.0 -6.1 21.0 33 41 B S E -B 184 0B 70 151,-2.2 151,-2.1 -2,-0.2 2,-0.3 -0.697 38.8 -85.9-117.1 170.5 -3.2 -3.9 18.8 34 42 B D E -B 183 0B 98 -2,-0.2 149,-0.2 149,-0.2 148,-0.1 -0.627 51.0-118.5 -70.1 134.3 -2.9 -2.3 15.4 35 43 B A - 0 0 6 147,-2.6 2,-0.2 -2,-0.3 -1,-0.1 -0.323 26.5-115.0 -64.5 156.2 -1.2 1.0 15.8 36 44 B E > - 0 0 41 1,-0.1 3,-1.8 -3,-0.1 4,-0.3 -0.585 42.7 -84.2 -85.3 162.3 -3.2 4.0 14.8 37 45 B I T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.410 117.1 9.5 -64.3 138.4 -2.0 6.1 11.9 38 46 B G T 3 S+ 0 0 11 54,-0.1 -30,-0.3 104,-0.1 -1,-0.3 0.513 94.1 122.9 74.3 1.7 0.7 8.6 13.0 39 47 B M S < S+ 0 0 7 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.708 84.2 19.4 -69.8 -24.3 0.8 6.9 16.5 40 48 B S S > S+ 0 0 12 -4,-0.3 3,-2.9 102,-0.1 -1,-0.3 -0.412 70.7 168.8-146.3 56.9 4.5 6.2 16.4 41 49 B P T 3 S+ 0 0 3 0, 0.0 103,-2.2 0, 0.0 99,-0.1 0.426 75.7 58.3 -65.5 -0.9 6.0 8.5 13.8 42 50 B W T 3 S+ 0 0 2 101,-0.2 18,-2.4 103,-0.1 2,-0.1 0.386 76.5 120.4-105.3 -8.0 9.7 7.8 14.8 43 51 B Q E < -J 59 0C 3 -3,-2.9 49,-1.0 16,-0.2 50,-0.4 -0.448 44.6-171.6 -65.1 129.9 9.2 4.1 14.1 44 52 B V E -JK 58 91C 0 14,-2.2 14,-1.1 47,-0.2 2,-0.5 -0.902 16.3-138.7-122.7 149.3 11.7 2.9 11.5 45 53 B M E -JK 57 90C 0 45,-1.9 45,-3.2 -2,-0.3 2,-0.7 -0.968 7.5-146.3-110.7 126.2 12.1 -0.4 9.6 46 54 B L E -JK 56 89C 0 10,-2.8 9,-3.6 -2,-0.5 10,-1.2 -0.860 27.9-167.1 -82.6 121.3 15.5 -1.9 8.9 47 55 B F E -JK 54 88C 0 41,-3.8 41,-3.2 -2,-0.7 2,-0.3 -0.949 18.3-129.0-125.6 127.8 15.0 -3.5 5.6 48 56 B R E > -JK 53 87C 77 5,-3.4 5,-0.9 -2,-0.5 39,-0.2 -0.564 11.9-165.5 -72.1 127.4 17.2 -6.0 3.9 49 57 B K T > 5S+ 0 0 42 37,-2.7 3,-1.0 -2,-0.3 -1,-0.2 0.962 81.5 62.1 -68.5 -58.2 18.3 -5.2 0.3 50 58 B S T 3 5S+ 0 0 73 36,-0.4 2,-1.0 1,-0.3 37,-0.0 0.806 127.1 6.3 -42.2 -89.8 19.6 -8.7 -0.5 51 59 B P T 3 5S- 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -3,-0.2 -0.840 105.0-119.4 -86.7 96.4 16.5 -10.9 -0.1 52 60 B Q T < 5 + 0 0 62 -2,-1.0 229,-0.3 -3,-1.0 2,-0.3 0.000 64.8 113.0 -27.8 109.4 14.1 -7.9 0.4 53 61 B E E < -J 48 0C 77 -5,-0.9 -5,-3.4 227,-0.1 2,-0.2 -0.960 68.9 -66.5-179.3 160.3 12.6 -8.3 3.9 54 62 B L E +J 47 0C 16 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.399 38.8 170.4 -62.2 126.1 12.2 -6.9 7.5 55 63 B L E - 0 0 16 -9,-3.6 2,-0.3 1,-0.4 170,-0.2 0.810 58.5 -43.1 -93.7 -47.7 15.4 -7.1 9.6 56 64 B b E -J 46 0C 1 -10,-1.2 -10,-2.8 170,-0.1 -1,-0.4 -0.937 54.7 -88.6-173.1 170.1 14.5 -5.1 12.7 57 65 B G E +J 45 0C 2 170,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.466 39.9 169.4 -93.1 174.4 12.9 -2.0 14.2 58 66 B A E -J 44 0C 0 -14,-1.1 -14,-2.2 -2,-0.2 2,-0.3 -0.892 23.3-124.9-172.2 177.5 14.8 1.2 14.7 59 67 B S E -JL 43 67C 0 8,-1.8 8,-3.3 -2,-0.3 2,-0.5 -0.995 14.3-122.9-146.1 141.9 13.8 4.7 15.7 60 68 B L E + L 0 66C 0 -18,-2.4 86,-2.3 -2,-0.3 6,-0.2 -0.735 30.7 168.3 -89.8 126.3 14.3 8.2 14.2 61 69 B I - 0 0 22 4,-2.8 2,-0.3 -2,-0.5 5,-0.2 0.483 67.7 -3.9-121.6 -12.2 16.1 10.5 16.7 62 70 B S S S- 0 0 31 3,-1.1 -1,-0.3 85,-0.1 84,-0.1 -0.908 90.0 -80.2-160.6-174.9 17.0 13.5 14.4 63 71 B D S S+ 0 0 62 -2,-0.3 74,-2.3 1,-0.2 3,-0.0 0.674 130.4 22.6 -71.2 -17.2 16.7 14.2 10.6 64 72 B R S S+ 0 0 80 72,-0.2 69,-3.2 1,-0.1 2,-0.5 0.477 108.6 82.6-124.1 -4.0 19.8 12.2 9.9 65 73 B W E - M 0 132C 10 67,-0.2 -4,-2.8 65,-0.0 -3,-1.1 -0.908 45.8-178.6-116.9 125.2 20.2 9.7 12.9 66 74 B V E -LM 60 131C 0 65,-2.9 65,-2.9 -2,-0.5 2,-0.3 -0.958 14.7-148.9-120.3 136.2 18.4 6.4 13.4 67 75 B L E +LM 59 130C 0 -8,-3.3 -8,-1.8 -2,-0.4 2,-0.3 -0.854 25.1 153.7-111.3 141.8 18.9 4.2 16.5 68 76 B T E - M 0 129C 0 61,-2.8 61,-2.0 -2,-0.3 2,-0.4 -0.887 48.0 -75.4-151.8 176.5 18.7 0.3 16.7 69 77 B A > - 0 0 0 -12,-0.4 3,-1.8 -2,-0.3 4,-0.5 -0.721 35.5-133.9 -81.2 134.5 19.8 -2.7 18.6 70 78 B A G >> S+ 0 0 0 -2,-0.4 3,-2.1 1,-0.3 4,-1.9 0.889 102.4 66.9 -53.3 -40.5 23.5 -3.7 17.8 71 79 B H G 34 S+ 0 0 11 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.584 88.9 64.8 -60.4 -11.3 22.4 -7.4 17.4 72 80 B b G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.786 114.7 31.5 -76.9 -26.0 20.4 -6.5 14.3 73 81 B L T <4 S+ 0 0 0 -3,-2.1 9,-2.4 -4,-0.5 2,-0.6 0.932 130.8 25.1 -91.6 -62.6 23.7 -5.6 12.6 74 82 B L E < +P 81 0D 48 -4,-1.9 -1,-0.3 7,-0.2 7,-0.3 -0.907 61.0 139.0-114.2 106.6 26.2 -7.9 14.2 75 83 B Y E > > -P 80 0D 48 5,-4.0 3,-2.3 -2,-0.6 5,-1.3 -0.575 23.5-172.8-143.2 91.3 25.3 -11.3 15.7 76 84 B P G > 5S+ 0 0 51 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.804 80.0 62.5 -50.6 -48.5 27.9 -14.0 14.9 77 85 B P G 3 5S+ 0 0 75 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.658 115.9 36.7 -50.6 -13.5 26.1 -17.0 16.3 78 86 B W G < 5S- 0 0 167 -3,-2.3 3,-0.1 2,-0.2 0, 0.0 0.238 110.0-117.2-128.0 10.4 23.5 -16.2 13.7 79 87 B D T < 5 + 0 0 154 -3,-2.5 2,-0.5 1,-0.3 0, 0.0 0.455 63.7 150.1 65.1 1.1 25.6 -15.0 10.8 80 88 B K E < +P 75 0D 51 -5,-1.3 -5,-4.0 -9,-0.1 -1,-0.3 -0.569 9.1 142.9 -65.4 113.6 23.8 -11.7 11.2 81 89 B N E +P 74 0D 109 -2,-0.5 2,-0.3 -7,-0.3 -7,-0.2 -0.491 24.0 178.1-159.4 79.6 26.6 -9.3 10.0 82 90 B F - 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