==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-DEC-11 4ABD . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.NEWMAN,T.S.PEAT . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 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 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 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 16 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.0 8.1 -20.6 14.7 2 17 A V B +A 171 0A 10 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.851 360.0 7.0-101.7 131.6 10.4 -19.8 17.6 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.734 101.9 121.3 74.4 22.7 12.0 -22.7 19.4 4 19 A G - 0 0 37 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 0.026 56.5-113.6 -98.4-157.0 10.8 -25.4 16.9 5 20 A Y E -B 137 0B 100 132,-2.5 132,-2.8 -3,-0.1 2,-0.5 -0.937 35.2 -88.2-139.7 156.9 12.6 -27.9 14.7 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.590 36.4-150.9 -68.0 122.7 13.0 -28.4 10.9 7 22 A a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.887 35.2-113.9 -63.1 -42.2 10.0 -30.5 10.0 8 23 A G > - 0 0 25 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 0.002 47.5 -56.0 103.1 139.8 11.6 -32.3 7.0 9 24 A A T 3 S- 0 0 43 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.238 117.9 -10.9 -59.7 126.1 10.6 -31.9 3.4 10 25 A N T 3 S+ 0 0 23 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.638 91.1 125.6 65.0 21.2 7.0 -32.6 2.7 11 26 A T S < S+ 0 0 84 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.493 74.9 50.8 -82.1 -8.6 6.3 -34.2 6.2 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.761 74.2 174.6-125.8 73.9 3.4 -31.7 6.7 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.636 71.8 55.3 -76.7 -10.6 1.6 -32.3 3.4 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.4 0.475 82.4 107.6 -91.4 -5.6 -1.4 -30.1 4.1 15 30 A Q E < -J 28 0C 5 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.595 48.6-177.4 -74.4 124.0 0.8 -27.0 4.8 16 31 A V E -J 27 0C 0 11,-2.5 11,-1.3 -2,-0.4 2,-0.4 -0.896 21.2-135.7-115.2 161.3 0.6 -24.4 2.0 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.924 15.2-141.0-104.7 131.6 2.3 -21.1 1.6 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.4 7,-1.0 -0.865 24.6-168.3 -94.0 127.3 0.3 -18.1 0.4 19 34 A N E +JK 23 47C 23 28,-2.9 28,-2.7 -2,-0.5 4,-0.2 -0.959 29.9 166.8-124.5 131.7 2.3 -16.1 -2.1 20 37 A S S S- 0 0 31 2,-2.3 3,-0.1 -2,-0.5 26,-0.1 -0.303 97.5 -44.2-128.1 46.0 1.6 -12.6 -3.5 21 38 A G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.221 141.2 23.0 108.1 -14.1 5.1 -12.1 -4.9 22 39 A Y S S- 0 0 128 -4,-0.0 -2,-2.3 0, 0.0 2,-0.2 -0.938 103.1 -78.1-172.3 157.2 6.6 -13.4 -1.7 23 40 A H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.513 51.2 159.0 -69.6 135.5 5.4 -15.7 1.2 24 41 A F E + 0 0 27 -6,-2.5 2,-0.3 1,-0.5 151,-0.2 0.553 58.2 1.2-131.1 -18.6 3.1 -13.8 3.5 25 42 A b E -J 18 0C 9 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.5 -0.977 62.4-117.6-162.5 159.9 1.0 -16.5 5.4 26 43 A G E -J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.398 26.9-179.5 -90.1 179.6 0.3 -20.1 5.8 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.5 -2,-0.1 2,-0.4 -0.952 23.5-119.0-167.1 173.6 -2.8 -22.1 5.2 28 45 A S E -JL 15 36C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.5 -0.993 20.4-131.0-129.0 127.6 -4.1 -25.7 5.3 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.5 -2,-0.4 6,-0.2 -0.675 27.2 174.4 -78.3 125.4 -5.4 -27.8 2.4 30 47 A I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.586 67.0 -10.0-112.1 -13.2 -8.8 -29.3 3.3 31 48 A N E > S- L 0 34C 51 3,-1.2 3,-0.7 70,-0.1 -1,-0.3 -0.933 89.6 -78.6-161.9-176.6 -9.7 -30.9 -0.0 32 49 A S T 3 S+ 0 0 40 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.694 128.0 33.2 -64.3 -18.3 -8.3 -30.7 -3.6 33 50 A Q T 3 S+ 0 0 76 60,-0.2 57,-3.3 1,-0.1 2,-0.4 0.521 109.9 64.2-108.8 -13.3 -10.0 -27.3 -4.2 34 51 A W E < -LM 31 89C 0 -3,-0.7 -4,-2.6 55,-0.2 -3,-1.2 -0.961 48.6-167.2-133.8 142.0 -10.0 -25.4 -0.9 35 52 A V E -LM 29 88C 0 53,-2.8 53,-2.9 -2,-0.4 2,-0.4 -0.945 14.8-143.9-122.7 138.9 -7.6 -24.0 1.6 36 53 A V E +LM 28 87C 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.856 35.7 148.5 -91.5 133.9 -8.3 -22.7 5.3 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.2 -2,-0.4 2,-0.4 -0.794 49.4 -72.3-147.3-169.7 -6.3 -19.7 6.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.772 31.0-133.4 -90.0 138.1 -6.7 -16.7 8.7 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-2.3 1,-0.3 -1,-0.1 0.835 106.3 65.1 -55.7 -33.8 -9.0 -13.8 7.7 40 57 A H G 3 S+ 0 0 71 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.651 94.6 61.9 -69.7 -9.0 -6.3 -11.3 8.7 41 58 A b G < S+ 0 0 4 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.381 77.7 130.5 -85.7 -3.0 -4.3 -12.8 5.8 42 59 A Y < + 0 0 131 -3,-2.3 2,-0.3 -4,-0.1 -3,-0.0 -0.287 20.2 137.6 -56.7 136.8 -6.8 -11.8 3.2 43 60 A K - 0 0 54 -2,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.964 50.4-104.3-158.6 165.6 -5.6 -10.0 0.1 44 61 A S S S+ 0 0 94 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.519 95.3 41.3 -82.2 163.4 -6.3 -10.2 -3.6 45 62 A G S S+ 0 0 68 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.823 74.2 169.6 73.1 35.6 -4.0 -11.9 -6.1 46 63 A I - 0 0 6 -3,-0.3 21,-2.7 -26,-0.1 2,-0.5 -0.631 21.4-161.8 -81.8 136.7 -3.0 -14.9 -3.9 47 64 A Q E -KN 19 66C 50 -28,-2.7 -28,-2.9 -2,-0.3 2,-0.5 -0.969 15.9-141.0-110.3 125.5 -1.1 -17.8 -5.4 48 65 A V E -KN 18 65C 0 17,-2.8 17,-2.6 -2,-0.5 2,-0.6 -0.746 12.2-156.7 -86.7 129.2 -1.4 -21.0 -3.3 49 66 A R E -KN 17 64C 50 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.934 13.5-176.7-117.0 113.3 1.9 -23.0 -3.1 50 67 A L E + N 0 63C 1 13,-3.1 13,-1.9 -2,-0.6 -34,-0.1 -0.668 61.4 30.0 -99.2 155.0 1.5 -26.6 -2.3 51 69 A G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.3 2,-0.3 0.774 84.5 158.0 71.0 20.0 4.2 -29.3 -1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.578 21.6 148.9 -82.2 142.3 6.7 -26.7 -0.4 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.401 81.6 29.7-120.1 -83.1 9.8 -27.2 1.8 54 72 A N S > S- 0 0 17 80,-0.2 3,-1.3 3,-0.2 -1,-0.4 -0.696 73.8-161.0 -77.3 110.9 12.3 -24.5 0.9 55 73 A I T 3 S+ 0 0 28 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.596 86.7 53.1 -73.7 -8.5 10.0 -21.7 -0.3 56 74 A N T 3 S+ 0 0 140 77,-0.1 2,-0.4 1,-0.1 -1,-0.3 0.438 106.0 55.8 -98.2 -6.5 12.9 -20.0 -2.1 57 75 A V S < S- 0 0 76 -3,-1.3 2,-0.7 76,-0.1 -4,-0.3 -0.995 78.6-126.6-129.8 136.8 14.0 -23.0 -4.3 58 76 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.682 33.6 171.7 -78.5 118.3 12.1 -25.1 -6.7 59 77 A E - 0 0 100 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.575 51.6 -99.0-111.3 -14.7 12.8 -28.6 -5.3 60 78 A G S S+ 0 0 59 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.358 103.6 75.2 123.2 -12.0 10.4 -30.7 -7.5 61 79 A N + 0 0 67 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.347 67.4 118.4-110.5 4.7 7.2 -31.4 -5.5 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.335 42.0-166.4 -72.7 151.6 5.5 -28.0 -5.7 63 81 A Q E -N 50 0C 35 -13,-1.9 -13,-3.1 -2,-0.1 2,-0.5 -0.988 7.4-162.0-128.4 128.8 2.2 -27.2 -7.2 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.963 17.7 168.8-112.0 116.5 1.5 -23.4 -7.7 65 83 A I E -N 48 0C 13 -17,-2.6 -17,-2.8 -2,-0.5 2,-0.1 -0.989 28.9-129.5-136.2 125.1 -2.2 -22.7 -8.2 66 84 A S E -N 47 0C 52 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.388 28.8-109.0 -72.1 151.0 -3.8 -19.2 -8.2 67 85 A A E -O 90 0C 17 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.567 19.8-164.1 -72.4 135.0 -6.9 -18.5 -6.1 68 86 A S E S- 0 0 56 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.630 73.8 -9.1 -91.0 -15.9 -10.1 -18.0 -7.9 69 87 A K E -O 89 0C 79 20,-1.0 20,-2.4 -23,-0.1 -1,-0.4 -0.955 56.4-143.5-171.6 153.2 -11.8 -16.4 -4.9 70 88 A S E -O 88 0C 39 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.956 10.1-161.3-120.2 143.7 -11.4 -15.7 -1.2 71 89 A I E -O 87 0C 38 16,-2.8 16,-2.5 -2,-0.3 2,-0.3 -0.940 5.8-160.5-130.8 106.9 -14.2 -15.9 1.4 72 90 A V E -O 86 0C 53 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.634 39.9 -89.8 -80.0 141.0 -13.6 -14.1 4.7 73 91 A H > - 0 0 23 12,-2.2 3,-2.0 -2,-0.3 -1,-0.1 -0.257 32.9-122.0 -53.3 144.6 -15.9 -15.2 7.6 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.735 110.5 39.9 -59.4 -25.9 -19.2 -13.2 7.8 75 93 A S T 3 S+ 0 0 70 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.231 78.8 141.1-111.8 11.0 -18.4 -12.1 11.4 76 94 A Y < - 0 0 55 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.405 31.2-166.3 -58.2 129.8 -14.7 -11.5 11.2 77 95 A N > - 0 0 65 5,-2.2 4,-2.2 -2,-0.2 5,-0.4 -0.960 9.5-162.3-118.5 114.9 -13.7 -8.4 13.2 78 96 A S T 4 S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.697 87.5 56.5 -74.5 -13.8 -10.2 -7.2 12.4 79 97 A N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.901 123.0 22.6 -79.0 -43.2 -10.0 -5.1 15.7 80 98 A T T 4 S- 0 0 74 -3,-0.1 -2,-0.2 2,-0.1 77,-0.1 0.578 97.7-131.5 -98.0 -12.3 -10.7 -8.0 18.1 81 99 A L >< + 0 0 35 -4,-2.2 3,-0.8 1,-0.3 2,-0.2 0.552 49.1 159.8 61.8 18.3 -9.6 -10.8 15.7 82 100 A N T 3 + 0 0 39 -5,-0.4 -5,-2.2 1,-0.2 -1,-0.3 -0.441 66.2 14.3 -67.8 139.3 -12.8 -12.7 16.5 83 101 A N T 3 S- 0 0 17 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.922 78.3-180.0 62.6 46.3 -13.6 -15.2 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.508 38.2 112.1 -83.1 76.2 -10.1 -15.0 12.2 85 103 A I + 0 0 0 -2,-2.0 -12,-2.2 -47,-0.3 2,-0.3 -0.997 35.9 171.7-148.9 138.8 -10.8 -17.5 9.4 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.4 -2,-0.3 2,-0.4 -0.968 22.6-134.5-142.8 163.1 -11.2 -17.4 5.7 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.4 -0.941 13.2-161.4-115.0 143.0 -11.5 -20.0 2.8 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.8 -2,-0.4 2,-0.5 -0.988 7.2-151.7-128.0 122.0 -9.5 -19.8 -0.5 89 107 A K E -MO 34 69C 36 -20,-2.4 -21,-2.9 -2,-0.4 -20,-1.0 -0.846 15.9-131.4 -94.4 137.2 -10.7 -21.7 -3.6 90 108 A L E - 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