==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C1R . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,C.LUONG . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 59.2 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 . 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 . 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 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 130.1 51.7 14.5 49.2 2 17 A V B +A 171 0A 8 169,-2.7 169,-1.7 1,-0.2 123,-0.1 -0.913 360.0 8.6-111.2 134.9 54.0 14.4 52.3 3 18 A G S S+ 0 0 51 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.751 102.5 120.1 69.6 27.6 55.7 11.2 53.4 4 19 A G - 0 0 33 -3,-0.3 2,-0.3 134,-0.1 134,-0.2 -0.235 56.0-120.6-106.0-165.0 54.5 9.4 50.2 5 20 A Y E -B 137 0B 91 132,-2.3 132,-3.0 -2,-0.1 2,-0.5 -0.897 33.7 -83.9-136.6 166.1 56.4 7.6 47.4 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.598 36.3-151.9 -74.5 122.8 56.7 7.9 43.6 7 22 A a - 0 0 20 128,-2.0 -1,-0.2 -2,-0.5 2,-0.1 0.930 36.9-113.9 -58.5 -52.2 53.7 6.0 42.2 8 23 A G > - 0 0 26 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.155 47.9 -52.5 120.3 148.0 55.4 5.1 39.0 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.277 119.5 -12.8 -56.3 127.1 54.4 6.3 35.5 10 25 A N T 3 S+ 0 0 30 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.727 89.2 129.2 50.5 37.1 50.8 5.7 34.8 11 26 A T S < S+ 0 0 79 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.540 77.2 48.1 -90.2 -7.4 50.2 3.4 37.8 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.3 -0.664 74.2 174.3-128.6 71.5 47.1 5.6 38.7 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.599 72.3 57.1 -63.6 -15.9 45.5 5.8 35.2 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.395 81.4 112.1 -93.9 -2.1 42.3 7.6 36.4 15 30 A Q E < -J 28 0C 6 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.576 48.1-170.9 -78.3 133.4 44.4 10.5 37.9 16 31 A V E -J 27 0C 0 11,-2.5 11,-1.2 -2,-0.3 2,-0.4 -0.863 17.2-144.4-121.8 157.5 44.0 13.9 36.1 17 32 A S E -JK 26 49C 1 32,-1.9 32,-2.6 -2,-0.3 2,-0.5 -0.982 15.7-143.7-120.2 130.2 46.0 17.2 36.4 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.3 -2,-0.4 7,-1.0 -0.865 23.3-168.2 -98.3 127.7 43.8 20.4 36.0 19 34 A N E +JK 23 47C 24 28,-3.0 28,-2.0 -2,-0.5 4,-0.2 -0.969 31.0 169.3-123.1 131.8 45.9 23.0 34.2 20 37 A S S S- 0 0 32 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.341 97.4 -45.5-130.9 46.8 45.3 26.7 33.6 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.258 140.9 27.5 108.3 -12.0 48.8 27.5 32.4 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.906 102.3 -82.4-167.9 159.6 50.3 25.4 35.2 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.562 51.3 157.1 -73.3 131.8 49.0 22.5 37.3 24 41 A F E + 0 0 31 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.524 59.3 7.6-132.3 -17.3 46.8 23.7 40.2 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.980 60.8-127.3-160.0 165.1 44.6 20.7 41.2 26 43 A G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.460 25.7 177.4-107.1 179.9 44.0 17.0 40.6 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.2 2,-0.4 -0.947 25.3-111.1-170.1 176.0 40.9 15.2 39.6 28 45 A S E -JL 15 36C 2 8,-2.4 8,-2.4 -2,-0.3 2,-0.6 -0.987 20.0-132.1-126.8 133.8 39.5 11.7 38.7 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.5 -2,-0.4 6,-0.2 -0.745 24.3 177.2 -84.9 122.8 38.2 10.5 35.4 30 47 A I E - 0 0 19 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.626 68.4 -17.3-101.8 -16.0 34.8 8.7 35.9 31 48 A N E > S- L 0 34C 48 3,-1.1 3,-1.1 70,-0.1 -1,-0.4 -0.916 90.0 -72.8-172.2 169.8 34.1 7.9 32.2 32 49 A S T 3 S+ 0 0 41 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.660 128.9 32.3 -50.6 -24.2 35.4 9.2 28.8 33 50 A Q T 3 S+ 0 0 80 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.516 110.4 66.3-113.1 -6.9 33.7 12.6 29.0 34 51 A W E < -LM 31 89C 4 -3,-1.1 -4,-2.4 55,-0.2 -3,-1.1 -0.957 46.0-174.7-130.4 145.2 33.6 13.4 32.8 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.4 -0.946 14.1-149.4-126.2 143.8 36.0 14.3 35.6 36 53 A V E +LM 28 87C 1 -8,-2.4 -8,-2.4 -2,-0.3 2,-0.2 -0.941 31.2 150.1-115.2 137.0 35.1 14.8 39.3 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.3 -2,-0.4 2,-0.3 -0.717 49.2 -69.6-143.4-165.1 37.3 17.2 41.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.757 30.6-132.3 -99.6 143.5 36.8 19.5 44.3 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.814 105.6 65.7 -65.3 -27.7 34.7 22.7 44.1 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.571 94.4 62.2 -73.4 -1.2 37.4 24.8 45.8 41 58 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.358 76.9 136.5 -98.6 2.0 39.5 24.0 42.6 42 59 A Y < + 0 0 125 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.300 19.7 147.4 -58.5 135.0 36.9 25.9 40.5 43 60 A K - 0 0 55 0, 0.0 2,-0.4 0, 0.0 3,-0.2 -0.921 47.0-114.4-157.2 162.0 38.4 28.2 37.9 44 61 A S S S+ 0 0 95 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.819 95.2 40.0-102.6 144.0 37.4 29.4 34.4 45 62 A G S S+ 0 0 68 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.935 75.0 169.4 84.7 48.0 39.8 28.2 31.6 46 63 A I - 0 0 10 -3,-0.2 21,-2.1 21,-0.1 2,-0.4 -0.784 20.4-168.0-100.3 138.2 40.6 24.6 32.6 47 64 A Q E -KN 19 66C 47 -28,-2.0 -28,-3.0 -2,-0.4 2,-0.4 -0.970 18.6-141.4-120.4 134.4 42.4 22.1 30.4 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.8 -2,-0.4 2,-0.6 -0.841 11.1-157.3-100.0 132.6 42.4 18.6 31.7 49 66 A R E -KN 17 64C 53 -32,-2.6 -32,-1.9 -2,-0.4 3,-0.3 -0.962 12.0-175.7-120.4 116.7 45.6 16.5 31.3 50 67 A L E + N 0 63C 4 13,-3.1 13,-1.7 -2,-0.6 -34,-0.1 -0.635 61.2 33.3-104.3 160.6 45.3 12.7 31.3 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 48,-0.3 2,-0.2 0.712 82.8 151.4 65.4 27.2 48.1 10.1 31.1 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.555 22.8 151.1 -90.6 153.0 50.5 12.2 33.0 53 71 A D S S+ 0 0 16 1,-0.5 2,-0.7 4,-0.3 82,-0.3 0.281 82.1 31.5-136.7 -75.0 53.4 11.2 35.1 54 72 A N S > S- 0 0 27 80,-0.2 3,-0.9 3,-0.2 -1,-0.5 -0.794 72.8-161.3 -86.9 116.9 56.0 14.1 34.8 55 73 A I T 3 S+ 0 0 29 78,-2.7 -1,-0.1 -2,-0.7 79,-0.1 0.542 86.7 53.5 -80.3 -1.8 53.8 17.2 34.3 56 74 A N T 3 S+ 0 0 120 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.351 105.2 58.8-108.5 0.7 56.7 19.2 33.0 57 75 A V S < S- 0 0 71 -3,-0.9 2,-1.0 76,-0.2 -4,-0.3 -0.999 75.9-134.3-132.5 131.5 57.7 16.7 30.3 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.725 30.9 174.2 -82.9 106.7 55.6 15.4 27.4 59 77 A E - 0 0 99 -2,-1.0 -1,-0.2 -5,-0.2 -4,-0.0 0.543 52.9 -99.0 -94.3 -5.5 56.5 11.7 27.8 60 78 A G S S+ 0 0 58 -3,-0.1 -2,-0.1 -9,-0.0 -8,-0.1 0.092 104.6 81.7 112.7 -24.2 54.1 10.4 25.1 61 79 A N + 0 0 56 -10,-0.3 2,-0.2 38,-0.0 -3,-0.0 0.254 65.7 115.8-102.3 18.7 51.0 9.1 27.0 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.511 41.8-169.5 -90.9 155.0 49.2 12.4 27.6 63 81 A Q E -N 50 0C 39 -13,-1.7 -13,-3.1 -2,-0.2 2,-0.5 -0.986 8.8-162.8-136.7 125.2 45.9 13.7 26.3 64 82 A F E +N 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.979 18.7 169.7-113.7 115.6 45.2 17.4 26.9 65 83 A I E -N 48 0C 20 -17,-2.8 -17,-3.1 -2,-0.5 2,-0.1 -0.998 27.9-128.8-131.7 134.1 41.5 18.2 26.5 66 84 A S E -N 47 0C 57 -2,-0.4 25,-2.9 -19,-0.2 26,-0.4 -0.416 27.3-109.2 -80.4 160.0 39.7 21.4 27.4 67 85 A A E -O 90 0C 24 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.660 19.9-166.2 -86.7 143.4 36.6 21.5 29.6 68 86 A S E S- 0 0 67 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.702 76.0 -0.5 -97.0 -32.9 33.3 22.3 27.9 69 87 A K E -O 89 0C 82 20,-1.0 20,-2.9 2,-0.0 -1,-0.4 -0.985 56.9-154.1-156.7 151.8 31.5 22.9 31.2 70 88 A S E -O 88 0C 44 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.983 9.2-165.3-127.7 141.0 32.1 22.9 35.0 71 89 A I E -O 87 0C 35 16,-2.8 16,-2.4 -2,-0.4 2,-0.3 -0.961 5.1-158.8-131.4 110.5 29.4 22.3 37.6 72 90 A V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.660 42.9 -87.0 -86.9 145.6 30.0 23.0 41.2 73 91 A H > - 0 0 21 12,-2.1 3,-1.8 -2,-0.3 -1,-0.1 -0.234 36.3-123.6 -51.3 135.9 27.8 21.3 43.7 74 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.749 109.5 40.3 -55.6 -27.3 24.5 23.3 44.2 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.165 78.1 142.7-110.0 19.9 25.2 23.4 48.0 76 94 A Y < - 0 0 55 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.411 34.4-159.5 -62.8 132.0 28.9 24.0 48.1 77 95 A N B >> -P 82 0D 65 5,-2.1 4,-2.5 -2,-0.1 5,-0.5 -0.952 6.1-162.9-115.0 108.7 29.8 26.4 51.0 78 96 A S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.692 87.9 57.3 -68.1 -16.4 33.3 28.0 50.4 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.854 123.3 19.7 -83.8 -36.1 33.5 29.0 54.0 80 98 A T T 45S- 0 0 70 -3,-0.4 -2,-0.2 2,-0.1 3,-0.1 0.557 95.2-130.5-105.7 -14.6 33.1 25.5 55.5 81 99 A L T ><5 + 0 0 29 -4,-2.5 3,-0.8 1,-0.3 2,-0.2 0.655 50.4 158.5 70.1 22.6 34.0 23.5 52.4 82 100 A N B 3 < +P 77 0D 34 -5,-0.5 -5,-2.1 1,-0.2 -1,-0.3 -0.567 66.5 17.9 -74.6 138.5 30.9 21.4 53.0 83 101 A N T 3 S+ 0 0 17 -2,-0.2 2,-1.8 -7,-0.2 -10,-0.3 0.908 80.3 175.8 65.0 47.5 29.9 19.7 49.6 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.525 32.8 111.6 -84.6 75.4 33.3 20.3 48.1 85 103 A I - 0 0 0 -2,-1.8 -12,-2.1 -47,-0.3 2,-0.3 -0.989 38.2-178.7-147.3 147.2 32.9 18.5 44.8 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.8 -2,-0.3 2,-0.4 -0.983 17.1-139.6-147.0 150.6 32.6 19.6 41.2 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.8 -2,-0.3 2,-0.4 -0.918 13.0-164.7-115.9 140.1 32.1 17.9 37.8 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.4 -0.994 7.2-151.6-127.1 128.3 34.0 18.8 34.6 89 107 A K E -MO 34 69C 40 -20,-2.9 -21,-2.7 -2,-0.4 -20,-1.0 -0.831 18.1-130.0-102.0 139.7 32.9 17.8 31.2 90 108 A L E - O 0 67C 3 -57,-2.6 -23,-0.2 -2,-0.4 -24,-0.1 -0.631 9.7-132.0 -88.7 145.7 35.5 17.3 28.5 91 109 A K S S+ 0 0 145 -25,-2.9 2,-0.3 -2,-0.3 -24,-0.1 0.810 96.7 19.1 -65.3 -33.8 35.1 19.0 25.1 92 110 A S S S- 0 0 77 -26,-0.4 2,-0.2 -60,-0.1 -1,-0.1 -0.936 96.5 -99.1-133.2 156.4 36.0 15.7 23.4 93 111 A A - 0 0 55 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.523 39.3-120.9 -77.4 144.5 35.9 12.2 24.9 94 112 A A - 0 0 8 -62,-2.8 2,-0.7 -2,-0.2 -1,-0.1 -0.436 22.5-115.9 -79.9 160.9 39.3 10.9 26.1 95 113 A S - 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