==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-09 3A7X . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.YAMANE,M.YAO,I.TANAKA . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 31.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.8 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+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 0 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 2 2 5 2 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 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 19 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.6 -8.3 -7.4 14.2 2 20 A V B +A 171 0A 8 169,-3.1 169,-2.0 1,-0.2 123,-0.1 -0.849 360.0 2.8-100.1 130.4 -10.5 -8.1 17.2 3 21 A G S S+ 0 0 42 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.706 102.9 119.0 71.6 23.1 -12.3 -5.1 18.9 4 22 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.053 56.9-108.7 -98.3-153.3 -11.1 -2.5 16.4 5 23 A Y E -B 137 0B 98 132,-2.4 132,-3.0 -3,-0.1 2,-0.5 -0.935 33.9 -87.8-142.1 157.5 -12.8 -0.2 13.9 6 24 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.606 38.6-148.2 -66.5 121.1 -13.3 0.2 10.2 7 25 A a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.899 34.5-111.0 -58.9 -45.5 -10.3 2.2 9.1 8 26 A G > - 0 0 27 127,-0.4 3,-2.0 -3,-0.1 4,-0.3 0.093 48.9 -60.7 107.0 130.0 -11.9 4.1 6.2 9 27 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.139 116.5 -11.5 -49.8 123.9 -11.0 3.5 2.6 10 28 A N T 3 S+ 0 0 30 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.640 92.0 124.5 59.8 21.6 -7.3 4.1 1.8 11 29 A T S < S+ 0 0 86 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.545 77.3 49.2 -81.0 -11.6 -6.6 5.9 5.1 12 30 A V S > S+ 0 0 6 -4,-0.3 3,-1.9 87,-0.1 -1,-0.2 -0.673 74.0 169.8-121.2 71.8 -3.8 3.3 5.7 13 31 A P T 3 S+ 0 0 32 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.601 70.8 57.5 -70.1 -10.8 -2.1 3.7 2.3 14 32 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.6 88,-0.1 2,-0.3 0.502 81.5 108.7 -90.5 -9.3 1.0 1.7 3.2 15 33 A Q E < -J 28 0C 5 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.545 49.4-174.3 -71.9 127.3 -1.1 -1.4 4.1 16 34 A V E -J 27 0C 1 11,-2.7 11,-1.1 -2,-0.3 2,-0.5 -0.847 19.8-138.6-117.5 159.4 -0.8 -4.3 1.6 17 35 A S E -JK 26 49C 1 32,-2.1 32,-2.7 -2,-0.3 2,-0.5 -0.971 14.3-143.7-109.7 131.3 -2.5 -7.6 1.2 18 36 A L E -JK 25 48C 0 7,-2.9 6,-2.5 -2,-0.5 7,-1.0 -0.855 23.0-167.1 -92.2 128.6 -0.4 -10.7 0.2 19 37 A N E +JK 23 47C 19 28,-2.7 28,-2.5 -2,-0.5 4,-0.2 -0.959 29.4 168.8-126.5 130.4 -2.4 -12.9 -2.1 20 38 A S S S- 0 0 30 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.314 96.4 -48.3-128.8 47.0 -1.7 -16.5 -3.2 21 39 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.238 140.7 30.3 98.0 -9.5 -5.1 -17.1 -4.8 22 40 A Y S S- 0 0 133 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.930 103.3 -82.1-166.8 154.6 -6.6 -15.7 -1.5 23 41 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.535 52.8 157.4 -63.3 129.7 -5.6 -13.1 1.1 24 42 A F E + 0 0 33 -6,-2.5 2,-0.3 1,-0.4 151,-0.3 0.551 56.8 3.7-130.7 -15.0 -3.2 -14.8 3.6 25 43 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.983 61.0-121.5-160.7 161.8 -1.1 -12.0 5.3 26 44 A G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.431 26.9 178.3 -96.0-179.5 -0.6 -8.3 5.5 27 45 A G E -J 16 0C 0 -11,-1.1 -11,-2.7 -2,-0.2 2,-0.4 -0.954 24.7-115.7-169.3 174.0 2.5 -6.2 4.8 28 46 A S E -JL 15 36C 0 8,-2.5 8,-2.6 -2,-0.3 2,-0.6 -0.988 19.9-130.8-129.0 128.6 3.8 -2.6 4.7 29 47 A L E + L 0 35C 1 -15,-2.6 74,-2.6 -2,-0.4 6,-0.2 -0.675 26.7 174.9 -76.9 119.7 5.0 -0.7 1.7 30 48 A I E - 0 0 18 4,-2.5 2,-0.3 -2,-0.6 75,-0.2 0.618 67.5 -13.6-104.2 -15.8 8.3 0.9 2.6 31 49 A N E > S- L 0 34C 50 3,-1.1 3,-0.8 70,-0.1 -1,-0.3 -0.917 90.4 -74.2-163.4-175.7 9.2 2.3 -0.9 32 50 A S T 3 S+ 0 0 38 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.669 128.8 31.3 -62.5 -16.1 7.9 1.9 -4.5 33 51 A Q T 3 S+ 0 0 78 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.470 109.0 66.3-120.1 -5.2 9.6 -1.5 -4.8 34 52 A W E < -LM 31 89C 3 -3,-0.8 -4,-2.5 55,-0.2 -3,-1.1 -0.974 47.5-167.8-136.2 142.0 9.6 -3.2 -1.4 35 53 A V E -LM 29 88C 0 53,-2.6 53,-2.7 -2,-0.4 2,-0.5 -0.959 14.2-146.1-123.8 135.6 7.3 -4.6 1.2 36 54 A V E +LM 28 87C 0 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.2 -0.906 34.8 148.9 -98.4 129.3 8.1 -5.6 4.8 37 55 A S E - M 0 86C 0 49,-2.8 49,-2.2 -2,-0.5 2,-0.3 -0.727 49.6 -71.8-139.6-168.2 6.1 -8.5 6.2 38 56 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.722 30.9-133.7 -92.1 140.3 6.6 -11.4 8.6 39 57 A A G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.838 107.4 65.9 -57.9 -33.4 8.9 -14.3 7.7 40 58 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.636 93.4 63.0 -67.3 -8.9 6.2 -16.7 8.9 41 59 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.358 77.3 131.8 -87.3 -1.1 4.2 -15.3 5.9 42 60 A Y < + 0 0 126 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.312 20.7 137.2 -57.4 132.7 6.7 -16.7 3.4 43 61 A K - 0 0 52 -2,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.940 50.6-102.8-158.8 164.7 5.4 -18.6 0.5 44 62 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.459 96.3 37.4 -81.0 161.9 6.1 -18.8 -3.3 45 63 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.858 75.6 173.3 69.6 38.9 3.9 -17.2 -5.8 46 64 A I - 0 0 7 -3,-0.3 21,-2.8 -26,-0.1 2,-0.5 -0.642 18.3-164.4 -82.3 131.7 3.0 -14.0 -3.9 47 65 A Q E -KN 19 66C 51 -28,-2.5 -28,-2.7 -2,-0.4 2,-0.4 -0.983 14.9-142.5-107.9 128.5 1.0 -11.2 -5.5 48 66 A V E -KN 18 65C 0 17,-2.9 17,-3.0 -2,-0.5 2,-0.5 -0.773 11.7-158.6 -90.8 130.8 1.1 -7.9 -3.6 49 67 A R E -KN 17 64C 51 -32,-2.7 -32,-2.1 -2,-0.4 3,-0.3 -0.956 12.6-176.4-116.6 116.1 -2.1 -6.0 -3.6 50 68 A L E + N 0 63C 2 13,-3.2 13,-2.0 -2,-0.5 -34,-0.1 -0.710 60.6 30.8-107.9 158.5 -1.9 -2.2 -2.9 51 69 A G S S+ 0 0 7 -36,-0.4 10,-0.2 -38,-0.3 2,-0.2 0.673 83.8 156.5 69.9 19.8 -4.6 0.4 -2.5 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.514 21.3 151.6 -79.9 140.3 -7.1 -2.2 -1.1 53 71 A D S S+ 0 0 13 1,-0.4 2,-0.8 4,-0.3 82,-0.2 0.411 80.4 32.1-118.9 -74.4 -10.1 -1.5 1.0 54 72 A N S > S- 0 0 21 80,-0.2 3,-1.2 3,-0.2 -1,-0.4 -0.739 74.3-160.7 -78.6 113.1 -12.6 -4.2 0.3 55 73 A I T 3 S+ 0 0 27 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.663 86.9 52.3 -72.9 -12.6 -10.3 -7.2 -0.4 56 74 A N T 3 S+ 0 0 140 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.410 106.1 57.5-100.5 -0.1 -13.1 -9.1 -2.2 57 75 A V S < S- 0 0 74 -3,-1.2 2,-0.8 76,-0.2 -4,-0.3 -0.996 76.3-131.0-134.7 128.9 -14.1 -6.3 -4.6 58 76 A V + 0 0 111 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.721 30.9 175.3 -76.0 112.0 -12.1 -4.4 -7.2 59 77 A E - 0 0 102 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.493 50.8 -99.0-103.8 -10.6 -13.1 -0.8 -6.3 60 78 A G S S+ 0 0 62 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.212 105.3 76.7 119.4 -13.6 -10.8 1.1 -8.7 61 79 A N + 0 0 59 -10,-0.2 -9,-0.1 38,-0.0 2,-0.1 0.349 67.6 118.2-108.2 5.4 -7.7 2.2 -6.7 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.317 43.3-163.9 -76.6 153.9 -5.9 -1.1 -6.5 63 81 A Q E -N 50 0C 38 -13,-2.0 -13,-3.2 -2,-0.1 2,-0.6 -0.977 7.0-164.1-129.9 121.4 -2.5 -2.1 -7.9 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.940 15.9 173.3-106.2 119.0 -1.8 -5.8 -8.1 65 83 A I E -N 48 0C 13 -17,-3.0 -17,-2.9 -2,-0.6 -2,-0.0 -0.987 27.7-127.0-133.0 124.0 1.9 -6.5 -8.5 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.330 28.2-113.2 -65.8 146.5 3.6 -9.9 -8.5 67 85 A A E -O 90 0C 14 -21,-2.8 23,-0.3 23,-0.2 3,-0.1 -0.615 22.5-168.0 -75.7 138.3 6.6 -10.4 -6.2 68 86 A S E S+ 0 0 56 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.738 72.5 0.6 -95.9 -28.6 9.9 -11.0 -8.0 69 87 A K E -O 89 0C 79 20,-1.1 20,-2.6 2,-0.0 2,-0.4 -0.986 57.0-152.9-156.3 154.7 11.8 -12.2 -4.9 70 88 A S E -O 88 0C 38 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.982 10.0-163.2-130.3 137.2 11.2 -12.8 -1.2 71 89 A I E -O 87 0C 36 16,-3.0 16,-2.5 -2,-0.4 2,-0.2 -0.926 4.5-159.1-130.9 106.2 14.0 -12.5 1.4 72 90 A V E -O 86 0C 50 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.598 40.4 -90.7 -80.0 141.8 13.5 -14.1 4.8 73 91 A H > - 0 0 23 12,-2.3 3,-2.0 10,-0.3 -1,-0.1 -0.278 34.3-125.6 -54.1 136.5 15.7 -12.8 7.6 74 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.725 109.4 41.9 -61.1 -21.5 18.9 -14.9 7.7 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.216 79.8 140.5-109.2 14.6 18.3 -15.6 11.4 76 94 A Y < - 0 0 54 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.379 34.4-162.7 -57.9 128.0 14.6 -16.3 11.3 77 95 A N B >> -P 82 0D 63 5,-2.3 4,-2.2 -2,-0.1 5,-0.5 -0.958 8.1-163.9-117.5 110.5 13.6 -19.1 13.6 78 96 A S T 45S+ 0 0 77 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.649 87.4 56.1 -71.0 -16.4 10.2 -20.5 12.8 79 97 A N T 45S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.928 123.8 20.7 -77.9 -47.8 10.0 -22.4 16.1 80 98 A T T 45S- 0 0 71 2,-0.1 -2,-0.2 -3,-0.0 3,-0.1 0.566 96.9-130.9 -95.4 -13.5 10.5 -19.3 18.4 81 99 A L T ><5 + 0 0 29 -4,-2.2 3,-0.9 1,-0.3 2,-0.2 0.624 49.5 160.1 61.7 18.0 9.5 -16.7 15.8 82 100 A N B 3 < +P 77 0D 37 -5,-0.5 -5,-2.3 1,-0.2 -1,-0.3 -0.503 67.6 14.9 -64.7 135.2 12.7 -14.8 16.6 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.888 80.0 179.0 64.2 43.7 13.6 -12.4 13.7 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.478 35.4 114.2 -78.4 75.8 10.1 -12.8 12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.996 36.4 177.1-150.0 143.6 10.7 -10.4 9.3 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.8 -2,-0.3 2,-0.4 -0.987 19.8-139.0-148.1 146.2 10.8 -10.7 5.5 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.0 -2,-0.3 2,-0.5 -0.905 13.9-162.6-106.8 140.1 11.3 -8.4 2.5 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.6 -2,-0.4 2,-0.4 -0.989 7.0-150.7-125.3 124.6 9.3 -8.8 -0.6 89 107 A K E -MO 34 69C 36 -20,-2.6 -21,-3.1 -2,-0.5 -20,-1.1 -0.835 15.6-130.3 -96.8 133.2 10.4 -7.1 -3.9 90 108 A L E - 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