==== 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 1UVU . COMPND 2 MOLECULE: THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.A.ENGH,R.HUBER . 268 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 59.7 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 . 73 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 . 1 0.4 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 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 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 3 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 . 0 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 65 0, 0.0 142,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 147.3 -48.1 -12.2 23.6 2 2 L G + 0 0 0 140,-2.1 236,-2.2 1,-0.2 2,-0.8 0.549 360.0 112.9 77.0 4.8 -49.2 -15.7 24.4 3 3 L L - 0 0 42 139,-0.3 -1,-0.2 234,-0.2 234,-0.1 -0.869 65.8-143.7-111.5 87.5 -50.6 -16.0 20.9 4 4 L R > > - 0 0 0 -2,-0.8 5,-1.7 1,-0.1 3,-1.3 -0.398 6.3-138.3 -54.5 122.3 -48.3 -18.7 19.5 5 5 L P T 3 5S+ 0 0 15 0, 0.0 5,-0.4 0, 0.0 -1,-0.1 0.747 99.5 46.8 -55.5 -32.2 -47.6 -17.9 15.8 6 6 L L T 3 5S+ 0 0 34 29,-0.3 30,-0.1 132,-0.3 -2,-0.1 0.473 130.5 16.5 -92.6 -0.2 -47.9 -21.5 14.6 7 7 L F T <>>S+ 0 0 15 -3,-1.3 5,-2.7 28,-0.1 4,-1.4 0.515 129.7 33.9-129.3 -76.5 -51.2 -22.3 16.5 8 8 L E T >45S+ 0 0 13 -4,-0.4 3,-1.3 3,-0.2 -5,-0.1 0.969 124.5 44.4 -51.0 -61.7 -53.1 -19.3 17.8 9 9 L K T 34> - 0 0 6 -2,-0.3 3,-1.3 1,-0.1 4,-0.5 -0.568 33.4 -95.2 -88.8 159.5 -52.5 -28.2 19.6 15 14AL Q T 34 S+ 0 0 118 1,-0.2 3,-0.5 -2,-0.2 4,-0.2 0.822 119.0 31.3 -36.3 -63.0 -52.9 -31.8 20.6 16 14BL T T >> S+ 0 0 9 1,-0.2 3,-1.1 2,-0.1 4,-0.7 0.494 89.0 97.1 -84.2 -3.2 -53.4 -31.4 24.4 17 14CL E H X> S+ 0 0 1 -3,-1.3 4,-1.3 1,-0.3 3,-1.0 0.851 73.6 68.2 -51.8 -41.4 -55.2 -28.0 24.4 18 14DL K H 3X S+ 0 0 134 -4,-0.5 4,-3.0 -3,-0.5 -1,-0.3 0.873 94.5 58.5 -44.5 -46.4 -58.6 -29.8 24.6 19 14EL E H <> S+ 0 0 51 -3,-1.1 4,-2.9 2,-0.2 -1,-0.3 0.855 100.5 55.5 -53.8 -45.2 -57.6 -30.9 28.2 20 14FL L H < S+ 0 0 60 -4,-1.3 3,-0.7 1,-0.2 -2,-0.2 0.926 116.0 57.0 -64.4 -40.7 -60.6 -26.1 28.5 22 14HL E H 3< S+ 0 0 135 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.909 108.5 46.5 -56.7 -40.6 -62.1 -29.5 29.3 23 14IL S H 3< 0 0 30 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.701 360.0 360.0 -73.8 -23.6 -60.6 -29.2 32.9 24 14JL Y << 0 0 70 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.477 360.0 360.0 -64.2 360.0 -61.9 -25.7 33.1 25 !* 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 26 16 H I > 0 0 3 0, 0.0 3,-1.1 0, 0.0 193,-0.2 0.000 360.0 360.0 360.0 94.1 -40.9 -34.2 32.5 27 17 H V B 3 +A 218 0A 13 191,-2.8 191,-1.5 1,-0.2 143,-0.1 -0.520 360.0 0.4 -72.7 138.6 -42.2 -37.6 33.8 28 18 H E T 3 S+ 0 0 129 141,-0.5 -1,-0.2 189,-0.2 188,-0.1 0.544 101.1 140.1 60.3 12.9 -45.0 -39.1 31.8 29 19 H G < - 0 0 26 -3,-1.1 2,-0.3 189,-0.2 153,-0.2 0.374 43.7-127.1 -65.9-156.2 -44.9 -36.1 29.4 30 20 H Q E -B 181 0B 81 151,-1.3 151,-2.5 -3,-0.1 2,-0.2 -0.981 31.8 -82.0-155.9 153.0 -45.3 -36.2 25.6 31 21 H D E -B 180 0B 83 -2,-0.3 149,-0.2 149,-0.2 2,-0.1 -0.431 50.6-123.4 -63.5 125.5 -43.3 -34.9 22.5 32 22 H A - 0 0 5 147,-3.4 2,-0.1 -2,-0.2 147,-0.1 -0.422 21.2-116.4 -70.4 140.4 -44.2 -31.2 22.0 33 23 H E > - 0 0 54 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.493 48.7 -84.1 -72.5 153.8 -45.5 -30.2 18.6 34 24 H V T 3 S+ 0 0 76 1,-0.3 -1,-0.1 -2,-0.1 57,-0.1 -0.362 116.7 14.9 -60.6 126.7 -43.2 -27.9 16.8 35 25 H G T 3 S+ 0 0 12 55,-0.1 -29,-0.3 2,-0.1 -1,-0.3 0.515 85.5 131.5 86.8 7.0 -43.8 -24.3 17.9 36 26 H L S < S+ 0 0 2 -3,-2.0 3,-0.1 1,-0.3 -2,-0.1 0.934 76.6 26.2 -57.8 -56.7 -45.8 -25.3 21.0 37 27 H S > + 0 0 11 -4,-0.3 3,-1.6 1,-0.2 -1,-0.3 -0.763 63.3 173.6-116.3 88.2 -43.9 -23.1 23.5 38 28 H P T 3 S+ 0 0 3 0, 0.0 51,-0.3 0, 0.0 103,-0.3 0.813 82.1 57.1 -56.8 -36.4 -42.4 -20.1 21.8 39 29 H W T 3 S+ 0 0 1 101,-0.2 18,-1.7 -3,-0.1 104,-0.1 0.534 77.5 123.4 -73.7 -11.6 -41.4 -18.6 25.1 40 30 H Q E < +J 56 0C 6 -3,-1.6 49,-1.0 16,-0.2 2,-0.3 -0.331 37.8 177.8 -56.9 132.0 -39.4 -21.7 26.0 41 31 H V E -JK 55 88C 0 14,-2.2 14,-1.3 47,-0.2 2,-0.5 -0.955 18.8-143.6-134.0 144.8 -35.8 -20.8 26.7 42 32 H M E -JK 54 87C 1 45,-2.4 45,-1.8 -2,-0.3 2,-0.4 -0.986 9.3-141.4-122.0 122.8 -33.0 -23.1 27.8 43 33 H L E -JK 53 86C 0 10,-3.0 9,-2.2 -2,-0.5 10,-1.0 -0.713 25.2-172.4 -77.8 126.4 -30.3 -22.0 30.3 44 34 H F E -JK 51 85C 13 41,-2.2 41,-1.8 -2,-0.4 2,-0.5 -0.954 30.0-132.0-126.8 139.7 -26.9 -23.3 29.4 45 35 H R E > -JK 50 84C 77 5,-3.0 5,-1.1 -2,-0.4 39,-0.2 -0.777 31.3-141.3 -78.8 131.4 -23.5 -23.3 31.1 46 36 H K T 5S+ 0 0 75 37,-1.3 -1,-0.2 -2,-0.5 3,-0.1 0.934 74.9 51.3 -66.2 -49.0 -21.4 -22.0 28.2 47 37 H S T 5S+ 0 0 98 1,-0.3 -1,-0.3 36,-0.2 2,-0.1 -0.980 116.0 23.4-140.7 121.1 -18.2 -24.1 28.7 48 37AH P T 5S- 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.667 109.9-110.2 -75.5 155.4 -18.4 -27.0 29.0 49 38 H Q T 5 + 0 0 149 -2,-0.1 2,-0.2 -3,-0.1 -3,-0.2 -0.214 55.0 159.7 -50.0 137.9 -21.8 -27.1 27.2 50 39 H E E < -J 45 0C 89 -5,-1.1 -5,-3.0 -3,-0.0 2,-0.8 -0.713 44.0-129.8-169.3 116.6 -24.4 -28.0 29.8 51 40 H L E +J 44 0C 44 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.552 33.2 171.9 -69.3 107.4 -28.2 -27.6 30.0 52 41 H L E - 0 0 32 -9,-2.2 2,-0.3 -2,-0.8 -1,-0.2 0.943 53.3 -30.6 -83.4 -51.4 -28.6 -26.0 33.4 53 42 H b E -J 43 0C 8 -10,-1.0 -10,-3.0 170,-0.1 -1,-0.3 -0.896 55.9-100.2-156.1 179.9 -32.2 -25.1 33.5 54 43 H G E +J 42 0C 4 170,-3.4 12,-0.3 -2,-0.3 2,-0.3 -0.459 37.9 170.0-100.6 176.9 -35.4 -24.0 31.7 55 44 H A E -J 41 0C 0 -14,-1.3 -14,-2.2 -2,-0.2 2,-0.3 -0.946 24.6-117.6-176.6 167.9 -36.7 -20.4 31.5 56 45 H S E -JL 40 64C 0 8,-2.5 8,-2.7 -2,-0.3 2,-0.5 -0.943 15.3-127.1-128.4 149.4 -39.2 -18.4 29.7 57 46 H L E + L 0 63C 0 -18,-1.7 86,-2.3 -2,-0.3 6,-0.2 -0.816 29.7 168.3 -91.3 122.8 -39.1 -15.4 27.3 58 47 H I - 0 0 21 4,-2.5 2,-0.3 -2,-0.5 5,-0.1 0.174 69.6 -1.4-123.5 20.8 -41.4 -12.5 28.6 59 48 H S S > S- 0 0 30 3,-0.5 3,-0.7 85,-0.1 -1,-0.4 -0.841 91.2 -84.7 168.0 162.9 -40.2 -9.7 26.3 60 49 H D T 3 S+ 0 0 45 -2,-0.3 74,-2.8 1,-0.2 3,-0.1 0.513 128.2 25.0 -70.9 -2.0 -37.6 -9.5 23.6 61 50 H R T 3 S+ 0 0 99 72,-0.2 69,-1.6 1,-0.1 2,-0.4 0.292 108.3 78.9-140.3 11.5 -34.9 -8.8 26.2 62 51 H W E < - M 0 129C 15 -3,-0.7 -4,-2.5 67,-0.2 -3,-0.5 -0.984 50.0-171.8-129.4 130.7 -36.1 -10.3 29.5 63 52 H V E -LM 57 128C 0 65,-2.2 65,-2.6 -2,-0.4 2,-0.4 -0.902 13.0-145.9-117.2 144.4 -36.1 -13.9 30.5 64 53 H L E +LM 56 127C 7 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.3 -0.953 32.5 145.1-115.6 128.5 -37.8 -15.3 33.7 65 54 H T E - M 0 126C 0 61,-2.4 61,-3.1 -2,-0.4 2,-0.3 -0.932 48.6 -80.3-153.6 171.7 -36.2 -18.2 35.6 66 55 H A > - 0 0 0 -12,-0.3 3,-1.4 -2,-0.3 59,-0.2 -0.606 30.7-132.4 -82.2 143.2 -35.7 -19.6 39.1 67 56 H A G >> S+ 0 0 0 1,-0.3 3,-3.0 -2,-0.3 4,-2.6 0.896 102.3 65.3 -60.7 -43.9 -33.0 -18.2 41.4 68 57 H H G 34 S+ 0 0 24 1,-0.3 -1,-0.3 2,-0.2 4,-0.0 0.547 90.2 66.7 -60.3 -6.0 -31.6 -21.6 42.4 69 58 H b G <4 S+ 0 0 2 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.513 118.6 23.8 -86.1 -9.9 -30.6 -22.2 38.7 70 59 H L T <4 S+ 0 0 1 -3,-3.0 9,-3.3 1,-0.2 2,-0.3 0.603 132.7 29.7-123.8 -26.8 -28.1 -19.4 39.3 71 60 H L B < +P 78 0D 39 -4,-2.6 7,-0.2 7,-0.2 -1,-0.2 -0.891 58.1 137.2-146.3 108.0 -27.5 -19.3 43.1 72 60AH Y > - 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