==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 16-OCT-96 1UVT . COMPND 2 MOLECULE: THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.A.ENGH,R.HUBER . 272 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 61.4 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 . 74 27.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.4 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 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 1 0 1 1 1 0 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 . 4 4 2 2 2 3 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 1 L a 0 0 59 0, 0.0 143,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 164.4 38.7 75.5 23.3 2 2 L G + 0 0 0 141,-2.1 237,-1.0 236,-0.2 2,-0.9 0.378 360.0 113.3 76.1 -7.3 37.4 72.0 23.9 3 3 L L - 0 0 45 140,-0.2 -1,-0.2 235,-0.2 235,-0.1 -0.850 63.7-143.8-101.5 97.9 36.3 71.6 20.4 4 4 L R > > - 0 0 0 -2,-0.9 5,-2.0 1,-0.1 3,-1.9 -0.497 4.9-140.1 -65.9 123.0 38.5 68.9 18.9 5 5 L P T 3 5S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.863 102.1 42.7 -47.9 -46.3 39.4 69.5 15.2 6 6 L L T 3 5S+ 0 0 25 133,-0.5 -2,-0.1 30,-0.3 31,-0.1 0.407 131.4 19.4 -86.1 2.0 39.0 65.9 14.2 7 7 L F T <>>S+ 0 0 11 -3,-1.9 5,-3.0 29,-0.1 4,-0.9 0.492 126.6 31.4-132.0 -78.3 35.8 65.3 16.2 8 8 L E T >45S+ 0 0 15 -4,-0.2 3,-0.7 1,-0.2 -5,-0.1 0.922 125.4 45.9 -55.7 -45.8 33.6 68.2 17.4 9 9 L K T 34 - 0 0 4 -2,-0.4 3,-0.8 1,-0.1 4,-0.5 -0.399 30.4-100.1 -76.1 158.6 34.4 59.5 19.4 15 14AL Q T 3 S+ 0 0 139 1,-0.2 3,-0.3 2,-0.1 4,-0.1 0.795 119.1 32.0 -46.1 -44.1 33.9 55.8 20.3 16 14BL T T >> S+ 0 0 8 1,-0.2 3,-1.9 2,-0.1 4,-0.8 0.592 87.6 98.6 -96.2 -8.7 33.5 56.2 24.1 17 14CL E H <> S+ 0 0 4 -3,-0.8 4,-1.4 1,-0.3 3,-0.2 0.754 75.4 67.9 -48.4 -29.4 31.8 59.6 24.1 18 14DL K H 3> S+ 0 0 143 -4,-0.5 4,-2.4 -3,-0.3 -1,-0.3 0.870 91.2 59.4 -60.2 -40.6 28.5 57.8 24.5 19 14EL E H <> S+ 0 0 54 -3,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.901 102.7 53.1 -55.7 -46.6 29.4 56.5 28.0 20 14FL L H X S+ 0 0 1 -4,-0.8 4,-0.8 2,-0.2 141,-0.4 0.929 111.3 43.3 -57.8 -50.4 29.7 60.1 29.3 21 14GL F H >X S+ 0 0 50 -4,-1.4 3,-0.9 1,-0.2 4,-0.9 0.907 111.5 55.3 -64.7 -39.8 26.3 61.3 28.1 22 14HL E H >< S+ 0 0 127 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.917 103.3 55.7 -59.9 -40.9 24.7 58.1 29.3 23 14IL S H 3< S+ 0 0 26 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.732 99.6 60.9 -65.2 -22.8 26.1 58.7 32.8 24 14JL Y H << 0 0 42 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.784 360.0 360.0 -74.4 -25.1 24.5 62.1 32.9 25 14KL I << 0 0 185 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.1 -0.207 360.0 360.0 -90.6 360.0 21.0 60.5 32.5 26 !* 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 27 16 H I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 131.6 46.0 53.7 32.4 28 17 H V B +A 219 0A 11 191,-3.5 191,-1.5 1,-0.2 143,-0.1 -0.889 360.0 5.2-102.8 129.6 44.6 50.5 33.8 29 18 H E S S+ 0 0 128 -2,-0.5 -1,-0.2 141,-0.4 2,-0.1 0.862 101.8 138.4 66.3 40.7 41.6 48.9 31.9 30 19 H G - 0 0 25 -3,-0.5 2,-0.3 153,-0.1 153,-0.2 -0.389 46.3-130.8-106.7-176.7 41.9 51.5 29.1 31 20 H Q E -B 182 0B 89 151,-2.0 151,-1.8 -2,-0.1 2,-0.2 -0.905 35.5 -91.9-129.7 160.5 41.7 51.4 25.3 32 21 H D E -B 181 0B 85 -2,-0.3 149,-0.2 149,-0.2 2,-0.1 -0.547 51.0-123.2 -70.5 135.7 44.0 52.8 22.7 33 22 H A - 0 0 7 147,-3.2 2,-0.2 -2,-0.2 147,-0.1 -0.480 22.4-106.6 -80.8 154.2 42.6 56.3 21.9 34 23 H E > - 0 0 56 -2,-0.1 3,-2.3 1,-0.1 4,-0.3 -0.560 52.5 -81.7 -77.1 149.0 41.6 57.3 18.4 35 24 H V T 3 S+ 0 0 75 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.248 118.7 14.3 -54.0 127.0 44.0 59.7 16.7 36 25 H G T 3 S+ 0 0 11 55,-0.2 -1,-0.3 2,-0.1 -30,-0.3 0.575 84.3 130.4 83.1 10.7 43.3 63.2 17.8 37 26 H L S < S+ 0 0 2 -3,-2.3 -2,-0.1 1,-0.3 3,-0.1 0.924 82.0 25.4 -60.6 -48.1 41.1 62.1 20.8 38 27 H S > + 0 0 10 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.708 66.6 171.9-121.4 80.4 43.0 64.4 23.2 39 28 H P T 3 S+ 0 0 1 0, 0.0 103,-0.6 0, 0.0 51,-0.3 0.758 81.3 56.8 -56.5 -29.0 44.5 67.3 21.2 40 29 H W T 3 S+ 0 0 1 101,-0.2 18,-2.3 -3,-0.1 104,-0.1 0.479 77.9 123.0 -83.3 -6.4 45.5 68.9 24.5 41 30 H Q E < -J 57 0C 5 -3,-2.1 49,-1.0 16,-0.2 2,-0.3 -0.368 38.3-179.4 -61.2 134.6 47.5 65.9 25.7 42 31 H V E -JK 56 89C 0 14,-2.2 14,-1.2 47,-0.2 2,-0.5 -0.987 17.8-146.1-136.3 140.5 51.1 66.8 26.5 43 32 H M E -JK 55 88C 0 45,-1.9 45,-1.9 -2,-0.3 2,-0.4 -0.958 11.1-142.1-115.8 124.8 53.9 64.6 27.7 44 33 H L E -JK 54 87C 0 10,-2.9 9,-2.6 -2,-0.5 10,-1.4 -0.730 28.0-168.6 -81.8 128.9 56.5 65.9 30.0 45 34 H F E -JK 52 86C 14 41,-3.4 41,-1.4 -2,-0.4 2,-0.5 -0.866 27.6-125.1-124.5 157.2 60.0 64.6 29.2 46 35 H R E > -JK 51 85C 81 5,-2.3 5,-0.9 -2,-0.3 39,-0.2 -0.853 24.7-144.5 -94.9 127.3 63.5 64.4 30.7 47 36 H K T 5S+ 0 0 66 37,-2.2 3,-0.3 -2,-0.5 -1,-0.1 0.886 77.7 45.0 -64.9 -39.5 65.9 65.8 28.1 48 37 H S T 5S+ 0 0 100 1,-0.5 -1,-0.2 36,-0.3 2,-0.1 -0.891 120.8 21.0-158.1 117.6 68.8 63.5 28.7 49 37AH P T 5S- 0 0 91 0, 0.0 -1,-0.5 0, 0.0 -3,-0.1 0.587 104.7-119.7 -75.1 144.7 68.5 60.6 29.1 50 38 H Q T 5 + 0 0 150 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.297 51.1 156.0 -54.2 128.1 65.2 60.7 27.2 51 39 H E E < -J 46 0C 93 -5,-0.9 -5,-2.3 -3,-0.0 2,-0.4 -0.920 45.3-118.9-161.0 128.7 62.5 59.5 29.7 52 40 H L E +J 45 0C 31 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.592 35.5 169.3 -71.6 127.8 58.8 60.0 30.0 53 41 H L E - 0 0 21 -9,-2.6 2,-0.3 -2,-0.4 170,-0.2 0.782 51.1 -24.5-108.4 -41.6 58.1 61.7 33.3 54 42 H b E -J 44 0C 2 -10,-1.4 -10,-2.9 170,-0.1 -1,-0.3 -0.973 52.6-101.7-163.3 175.2 54.4 62.8 33.2 55 43 H G E +J 43 0C 3 170,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.481 37.4 167.7 -98.1 172.9 51.3 63.9 31.5 56 44 H A E -J 42 0C 0 -14,-1.2 -14,-2.2 -2,-0.2 2,-0.4 -0.946 25.5-118.1-172.5 171.4 50.2 67.5 31.2 57 45 H S E -JL 41 65C 0 8,-2.6 8,-2.9 -2,-0.3 2,-0.8 -0.975 14.0-127.2-133.1 146.7 47.6 69.5 29.2 58 46 H L E + L 0 64C 0 -18,-2.3 86,-1.3 -2,-0.4 6,-0.2 -0.807 32.6 165.9 -88.8 106.9 47.8 72.3 26.7 59 47 H I S S+ 0 0 21 4,-2.1 2,-0.3 -2,-0.8 5,-0.2 0.412 70.5 0.9-101.9 1.0 45.5 75.0 28.0 60 48 H S S S- 0 0 39 3,-0.9 3,-0.4 -20,-0.1 -1,-0.2 -0.945 87.2 -89.3-171.5 169.5 46.8 77.7 25.7 61 49 H D S S+ 0 0 72 -2,-0.3 74,-3.1 1,-0.2 3,-0.1 0.499 128.0 24.4 -73.3 -0.1 49.3 78.0 22.9 62 50 H R S S+ 0 0 80 72,-0.2 69,-2.0 1,-0.2 2,-0.4 0.302 110.6 75.7-144.2 8.4 52.0 78.9 25.5 63 51 H W E - M 0 130C 20 -3,-0.4 -4,-2.1 67,-0.2 -3,-0.9 -0.982 50.8-170.5-133.4 125.9 50.8 77.4 28.8 64 52 H V E -LM 58 129C 0 65,-2.9 65,-3.0 -2,-0.4 2,-0.4 -0.937 13.3-147.6-114.3 132.6 50.8 73.7 29.9 65 53 H L E +LM 57 128C 0 -8,-2.9 -8,-2.6 -2,-0.4 2,-0.3 -0.854 30.3 150.3-101.7 133.9 49.0 72.6 33.0 66 54 H T E - M 0 127C 0 61,-2.4 61,-2.4 -2,-0.4 2,-0.4 -0.885 47.8 -80.9-150.4 178.0 50.4 69.7 35.1 67 55 H A > - 0 0 0 -12,-0.4 3,-1.9 -2,-0.3 4,-0.3 -0.739 31.8-132.9 -89.4 137.8 50.7 68.3 38.6 68 56 H A G >> S+ 0 0 0 -2,-0.4 4,-3.0 1,-0.3 3,-2.2 0.836 102.4 67.8 -58.1 -32.2 53.3 69.8 40.9 69 57 H H G 34 S+ 0 0 14 1,-0.3 -1,-0.3 2,-0.2 156,-0.1 0.565 88.2 67.8 -67.9 -5.4 54.5 66.3 42.0 70 58 H b G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.639 117.8 21.2 -84.4 -16.3 55.8 65.8 38.5 71 59 H L T <4 S+ 0 0 0 -3,-2.2 9,-2.3 -4,-0.3 2,-0.5 0.731 129.1 34.5-117.0 -48.1 58.4 68.5 39.2 72 60 H L E < +P 79 0D 39 -4,-3.0 -1,-0.2 7,-0.2 7,-0.2 -0.930 57.1 128.4-125.0 115.9 58.8 68.8 42.9 73 60AH Y E > > -P 78 0D 49 5,-2.1 3,-2.0 -2,-0.5 5,-1.7 -0.553 29.0-169.6-160.9 83.1 58.5 66.0 45.5 74 60BH P G > 5S+ 0 0 54 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.798 79.4 70.0 -45.8 -43.1 61.6 65.9 47.8 75 60CH P G 3 5S+ 0 0 73 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.715 111.3 34.3 -53.1 -21.8 60.8 62.5 49.4 76 60DH W G < 5S- 0 0 172 -3,-2.0 -4,-0.0 2,-0.1 0, 0.0 0.315 121.2-106.9-112.5 3.2 61.6 60.9 46.0 77 60EH D T < 5 + 0 0 152 -3,-2.1 2,-0.5 -4,-0.3 -5,-0.0 0.811 66.9 152.1 73.6 35.2 64.4 63.4 45.2 78 60FH K E < +P 73 0D 49 -5,-1.7 -5,-2.1 2,-0.0 -1,-0.2 -0.854 7.7 137.6-101.2 129.0 62.4 65.2 42.5 79 60GH N E -P 72 0D 115 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.454 31.6-169.2-166.3 74.3 63.1 68.9 41.9 80 60HH F - 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