==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUL-11 3T27 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.VENKAT,C.SAXBY,J.CAHN,D.JUERS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 69 30.9 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 . 3 1.3 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 . 16 7.2 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 . 2 1 2 6 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 16 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.2 -8.1 8.7 19.9 2 17 A V B +A 171 0A 10 169,-2.9 169,-1.7 1,-0.2 123,-0.1 -0.861 360.0 4.9 -97.0 132.7 -10.4 9.5 16.9 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.728 102.0 118.8 73.8 23.7 -12.1 6.6 15.1 4 19 A G - 0 0 33 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.164 58.3-107.3-106.0-157.8 -10.9 3.9 17.5 5 20 A Y E -B 137 0B 106 132,-2.6 132,-2.9 -2,-0.1 2,-0.5 -0.899 34.9 -89.5-136.8 154.5 -12.7 1.5 19.8 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.588 38.7-149.2 -62.9 115.2 -13.2 1.0 23.5 7 22 A a - 0 0 15 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.888 34.0-116.9 -55.2 -44.0 -10.1 -1.1 24.5 8 23 A G > - 0 0 27 127,-0.5 3,-1.5 -3,-0.1 4,-0.3 -0.075 44.6 -58.3 103.7 141.9 -11.8 -3.0 27.3 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.366 118.9 -6.7 -63.7 126.2 -10.8 -2.7 31.0 10 25 A N T 3 S+ 0 0 29 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.696 89.6 122.7 63.0 29.1 -7.1 -3.8 31.5 11 26 A T S < S+ 0 0 83 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.564 79.6 46.0 -88.8 -11.0 -6.5 -5.0 28.0 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.5 87,-0.1 -1,-0.2 -0.750 71.8 170.7-128.3 77.8 -3.5 -2.4 27.8 13 28 A P T 3 S+ 0 0 26 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.662 71.5 56.7 -78.1 -11.8 -1.8 -3.1 31.2 14 29 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.439 82.4 111.7 -91.7 -5.6 1.3 -0.9 30.5 15 30 A Q E < -J 28 0C 6 -3,-1.5 36,-0.6 13,-0.2 37,-0.4 -0.507 47.6-173.7 -73.6 131.0 -0.9 2.2 29.8 16 31 A V E -JK 27 50C 0 11,-2.4 11,-1.1 -2,-0.3 2,-0.5 -0.942 19.8-139.8-120.8 159.2 -0.6 5.0 32.4 17 32 A S E -JK 26 49C 0 32,-2.4 32,-2.8 -2,-0.4 2,-0.6 -0.929 13.5-144.8-108.4 134.4 -2.3 8.3 33.0 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.3 -2,-0.5 7,-1.0 -0.883 24.1-168.5 -96.5 128.7 -0.3 11.2 34.1 19 34 A N E +JK 23 47C 21 28,-2.9 28,-2.9 -2,-0.6 4,-0.2 -0.944 30.0 168.8-124.7 127.2 -2.4 13.3 36.5 20 37 A S S S- 0 0 30 2,-2.4 26,-0.1 -2,-0.4 3,-0.1 -0.366 97.2 -47.4-126.0 53.0 -1.8 16.8 37.9 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 24,-0.0 -2,-0.1 0.217 140.9 27.4 98.2 -11.5 -5.3 17.2 39.4 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.4 0, 0.0 2,-0.2 -0.920 104.4 -78.7-170.0 158.9 -6.7 15.9 36.1 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.505 51.2 159.4 -73.1 133.3 -5.4 13.7 33.2 24 41 A F E + 0 0 32 -6,-2.3 2,-0.3 1,-0.5 151,-0.2 0.583 58.5 1.0-133.2 -16.0 -3.0 15.6 31.0 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.5 -0.977 62.1-119.3-164.2 161.2 -0.9 12.9 29.1 26 43 A G E +J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.415 27.9 178.6 -93.8 179.9 -0.4 9.2 28.7 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.1 2,-0.4 -0.938 23.0-119.4-166.7 170.7 2.8 7.2 29.4 28 45 A S E -JL 15 36C 1 8,-2.7 8,-3.1 -2,-0.3 2,-0.6 -0.994 18.9-128.5-127.4 142.1 4.0 3.6 29.3 29 46 A L E + L 0 35C 0 -15,-2.1 74,-2.1 -2,-0.4 6,-0.2 -0.718 27.4 173.7 -87.1 117.8 5.3 1.5 32.2 30 47 A I E - 0 0 17 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.685 68.5 -11.6-104.8 -20.5 8.6 -0.0 31.2 31 48 A N E > S- L 0 34C 51 3,-1.3 3,-0.9 70,-0.1 -1,-0.3 -0.924 89.0 -76.4-157.8-171.4 9.5 -1.6 34.6 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-3.7 1,-0.3 60,-0.1 0.631 128.1 29.2 -68.6 -11.8 8.2 -1.5 38.1 33 50 A Q T 3 S+ 0 0 59 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.427 109.6 69.4-124.8 0.5 9.8 1.9 38.8 34 51 A W E < -LM 31 89C 7 -3,-0.9 -4,-2.3 55,-0.2 -3,-1.3 -0.973 47.8-171.6-134.9 141.6 9.9 3.7 35.5 35 52 A V E -LM 29 88C 0 53,-2.8 53,-2.4 -2,-0.4 2,-0.4 -0.952 13.6-147.6-122.3 142.6 7.5 5.3 33.0 36 53 A V E +LM 28 87C 0 -8,-3.1 -8,-2.7 -2,-0.4 2,-0.2 -0.905 31.2 149.2-108.6 137.4 8.3 6.6 29.5 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.2 -2,-0.4 2,-0.3 -0.737 49.9 -68.9-142.5-166.6 6.3 9.6 28.1 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.761 32.3-132.7 -95.0 141.8 6.8 12.6 25.8 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.862 107.5 64.9 -62.7 -31.4 9.1 15.4 26.8 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.671 92.9 63.4 -68.0 -9.2 6.3 17.9 25.7 41 58 A b G < S+ 0 0 5 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.414 74.4 135.4 -85.0 -1.0 4.2 16.4 28.6 42 59 A Y < + 0 0 137 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.234 21.4 147.1 -59.2 136.5 6.8 17.7 31.2 43 60 A K - 0 0 61 3,-0.0 2,-0.3 0, 0.0 3,-0.2 -0.949 46.0-116.8-156.2 153.9 5.1 19.3 34.2 44 61 A S S S+ 0 0 102 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.702 94.1 45.8 -90.5 156.6 5.9 19.6 37.9 45 62 A G S S+ 0 0 58 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.924 76.4 171.1 82.9 46.4 3.4 17.9 40.3 46 63 A I - 0 0 14 -3,-0.2 21,-2.1 21,-0.1 2,-0.5 -0.780 19.1-171.8 -98.1 124.8 3.0 14.6 38.4 47 64 A Q E -KN 19 66C 52 -28,-2.9 -28,-2.9 -2,-0.5 2,-0.5 -0.955 18.9-140.4-106.8 135.4 1.1 11.6 39.9 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.6 -2,-0.5 2,-0.5 -0.780 13.3-158.7 -93.2 129.7 1.3 8.4 37.9 49 66 A R E -KN 17 64C 51 -32,-2.8 -32,-2.4 -2,-0.5 2,-0.3 -0.956 12.0-174.6-115.0 120.9 -2.0 6.4 37.7 50 67 A L E +KN 16 63C 0 13,-3.3 13,-2.1 -2,-0.5 -34,-0.1 -0.796 60.4 25.3-112.6 152.3 -1.7 2.7 36.8 51 69 A G S S+ 0 0 6 -36,-0.6 10,-0.2 -38,-0.3 2,-0.2 0.670 83.9 155.6 73.6 22.9 -4.4 0.0 36.2 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.542 21.9 156.7 -83.7 140.0 -6.9 2.7 35.1 53 71 A D S S+ 0 0 17 1,-0.4 2,-0.6 4,-0.3 82,-0.5 0.482 79.8 29.7-115.1 -66.4 -9.8 2.1 32.8 54 72 A N S > S- 0 0 28 3,-0.2 3,-1.2 80,-0.2 -1,-0.4 -0.823 72.0-157.0 -90.0 117.7 -12.3 4.8 33.6 55 73 A I T 3 S+ 0 0 35 78,-2.4 -1,-0.1 -2,-0.6 79,-0.1 0.580 90.8 51.4 -74.3 -5.8 -10.2 7.8 34.8 56 74 A N T 3 S+ 0 0 119 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.363 105.0 59.4-106.6 -0.6 -13.2 9.3 36.7 57 75 A V S < S- 0 0 74 -3,-1.2 2,-0.8 76,-0.2 -4,-0.3 -0.994 73.2-136.7-133.0 128.5 -14.1 6.2 38.7 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.776 33.2 169.0 -84.2 109.3 -12.0 4.2 41.2 59 77 A E - 0 0 101 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.581 52.5 -95.8-104.0 -16.4 -12.9 0.7 40.1 60 78 A G S S+ 0 0 59 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 -0.001 103.6 81.6 127.3 -33.4 -10.3 -1.4 42.0 61 79 A N + 0 0 62 -10,-0.2 2,-0.1 38,-0.0 -9,-0.1 0.432 68.5 122.0 -81.6 7.3 -7.3 -2.1 39.8 62 80 A E - 0 0 32 -11,-0.0 2,-0.4 -13,-0.0 -11,-0.2 -0.374 38.2-175.4 -90.2 146.8 -5.6 1.2 40.4 63 81 A Q E -N 50 0C 41 -13,-2.1 -13,-3.3 -2,-0.1 2,-0.5 -0.993 9.8-164.8-126.2 128.1 -2.2 2.2 41.8 64 82 A F E +N 49 0C 73 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.968 16.7 170.6-115.3 118.7 -1.5 6.0 42.2 65 83 A I E -N 48 0C 21 -17,-2.6 -17,-3.1 -2,-0.5 2,-0.1 -0.997 28.1-126.2-136.8 129.5 2.2 6.8 42.8 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.6 -19,-0.2 2,-0.3 -0.356 28.7-109.2 -70.8 154.0 4.0 10.1 42.8 67 85 A A E -O 90 0C 23 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.642 25.7-173.3 -76.4 137.1 7.0 10.9 40.6 68 86 A S E S+ 0 0 67 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.718 72.4 10.7-100.4 -21.8 10.3 11.2 42.4 69 87 A K E -O 89 0C 88 20,-1.3 20,-2.8 2,-0.0 2,-0.4 -0.989 59.6-158.1-156.0 137.4 12.4 12.3 39.4 70 88 A S E -O 88 0C 46 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.973 7.2-170.1-116.5 141.4 11.7 13.5 35.8 71 89 A I E -O 87 0C 34 16,-3.1 16,-3.0 -2,-0.4 2,-0.3 -0.922 4.8-162.8-133.0 103.2 14.3 13.3 33.1 72 90 A V E -O 86 0C 46 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.637 43.7 -88.8 -78.1 144.0 13.7 15.1 29.8 73 91 A H > - 0 0 24 12,-2.1 3,-1.7 -2,-0.3 -1,-0.1 -0.238 36.0-124.8 -52.0 136.2 15.9 13.9 26.9 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.757 107.8 42.7 -62.1 -23.3 19.1 16.1 26.9 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.141 77.8 142.6-108.6 18.1 18.5 17.1 23.2 76 94 A Y < - 0 0 59 -3,-1.7 2,-0.5 9,-0.1 7,-0.2 -0.393 33.9-161.2 -59.9 131.9 14.8 17.7 23.3 77 95 A N > - 0 0 67 5,-1.9 4,-2.3 1,-0.1 5,-0.5 -0.961 8.2-160.9-118.8 109.3 13.9 20.7 21.1 78 96 A S T 4 S+ 0 0 83 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.699 88.8 54.4 -67.3 -19.1 10.4 22.2 22.0 79 97 A N T 4 S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.918 123.4 22.2 -78.2 -43.1 10.2 24.0 18.6 80 98 A T T 4 S- 0 0 71 2,-0.1 -2,-0.2 -3,-0.1 77,-0.1 0.630 95.8-132.2 -96.6 -13.8 10.8 20.9 16.2 81 99 A L >< + 0 0 33 -4,-2.3 3,-0.9 1,-0.3 2,-0.2 0.651 48.7 159.8 61.1 19.0 9.7 18.2 18.8 82 100 A N T 3 + 0 0 36 -5,-0.5 -5,-1.9 1,-0.2 -1,-0.3 -0.541 66.8 16.1 -63.3 138.8 12.9 16.3 17.9 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.881 79.7 177.3 61.3 43.6 13.7 13.9 20.8 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.513 36.2 110.5 -81.1 82.0 10.2 14.2 22.3 85 103 A I + 0 0 0 -2,-2.0 -12,-2.1 -47,-0.3 2,-0.3 -0.992 38.3 177.8-155.3 144.0 10.8 11.6 25.0 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.4 -2,-0.3 2,-0.4 -0.994 18.9-137.4-147.4 152.5 11.1 11.8 28.8 87 105 A L E -MO 36 71C 0 -16,-3.0 -16,-3.1 -2,-0.3 2,-0.4 -0.881 12.4-163.7-111.8 146.5 11.5 9.3 31.7 88 106 A I E -MO 35 70C 0 -53,-2.4 -53,-2.8 -2,-0.4 2,-0.4 -0.998 7.8-151.0-131.6 124.0 9.7 9.5 35.0 89 107 A K E -MO 34 69C 41 -20,-2.8 -21,-3.1 -2,-0.4 -20,-1.3 -0.815 18.5-130.0 -96.4 133.3 10.9 7.5 38.1 90 108 A L E - 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