==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C2E . 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) . 9231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 21 9.4 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 . 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 16 A I 0 0 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 132.0 51.7 14.6 49.3 2 17 A V B +A 171 0A 8 169,-2.6 169,-1.8 1,-0.2 123,-0.1 -0.941 360.0 9.5-113.0 130.3 54.0 14.5 52.3 3 18 A G S S+ 0 0 51 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.715 101.3 119.6 76.3 25.8 55.6 11.2 53.4 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 120,-0.1 134,-0.2 -0.272 56.4-120.7-106.2-167.0 54.5 9.4 50.2 5 20 A Y E -B 137 0B 94 132,-2.1 132,-2.9 -2,-0.1 2,-0.4 -0.859 36.3 -82.7-133.1 167.5 56.4 7.6 47.5 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.599 37.3-149.6 -72.3 125.6 56.7 8.0 43.7 7 22 A a - 0 0 20 128,-2.1 -1,-0.1 -2,-0.4 2,-0.1 0.910 37.4-112.0 -61.6 -49.2 53.7 6.1 42.2 8 23 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.097 47.9 -55.0 118.5 144.4 55.4 5.1 39.0 9 24 A A T 3 S- 0 0 52 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.276 119.5 -13.1 -53.1 121.2 54.5 6.4 35.6 10 25 A N T 3 S+ 0 0 25 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.736 89.1 129.6 57.2 31.9 50.8 5.8 34.9 11 26 A T S < S+ 0 0 80 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.589 76.4 48.6 -87.1 -9.1 50.1 3.4 37.8 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.745 75.0 175.5-124.3 73.5 47.1 5.6 38.8 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.615 71.8 58.2 -68.6 -10.7 45.5 5.8 35.3 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.404 80.4 112.2 -96.5 0.3 42.4 7.7 36.5 15 30 A Q E < -J 28 0C 5 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.569 47.2-170.8 -80.1 135.1 44.4 10.6 38.0 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.4 -2,-0.3 2,-0.4 -0.874 16.8-144.6-123.8 158.9 44.0 13.9 36.1 17 32 A S E -JK 26 49C 1 32,-1.8 32,-2.7 -2,-0.3 2,-0.5 -0.988 16.0-144.4-122.9 127.7 46.0 17.2 36.5 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.4 -2,-0.4 7,-1.1 -0.849 23.0-169.5 -97.9 129.0 43.9 20.4 36.0 19 34 A N E +JK 23 47C 23 28,-2.8 28,-2.1 -2,-0.5 4,-0.2 -0.975 30.1 172.6-125.3 132.9 46.0 23.0 34.3 20 37 A S S S- 0 0 32 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.327 98.0 -45.0-130.7 46.3 45.3 26.8 33.7 21 38 A G S S+ 0 0 66 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.233 141.2 26.5 108.6 -9.0 48.7 27.5 32.4 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.909 103.1 -79.1-168.2 163.8 50.3 25.4 35.3 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.573 52.4 156.1 -75.6 129.6 49.1 22.6 37.4 24 41 A F E + 0 0 32 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.580 60.5 7.6-129.9 -22.5 46.8 23.8 40.2 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.2 151,-0.1 -1,-0.4 -0.975 60.7-127.8-154.4 167.5 44.6 20.8 41.2 26 43 A G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.501 26.5 177.4-108.5 176.6 44.1 17.1 40.6 27 44 A G E -J 16 0C 0 -11,-1.4 -11,-2.3 -2,-0.2 2,-0.4 -0.940 24.5-113.8-166.9 177.1 40.9 15.3 39.6 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.2 -2,-0.3 2,-0.5 -0.988 19.7-129.4-129.4 138.2 39.6 11.8 38.8 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.2 -2,-0.4 6,-0.2 -0.745 25.1 176.7 -85.9 126.8 38.3 10.5 35.4 30 47 A I E - 0 0 20 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.608 69.2 -15.7-105.0 -16.4 34.9 8.8 36.0 31 48 A N E > S- L 0 34C 50 3,-1.2 3,-1.3 70,-0.1 -1,-0.5 -0.904 89.1 -74.9-173.0 166.1 34.1 8.0 32.3 32 49 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.4 1,-0.2 60,-0.1 0.649 128.4 32.8 -46.3 -27.3 35.5 9.1 28.9 33 50 A Q T 3 S+ 0 0 80 60,-0.2 57,-2.4 1,-0.1 2,-0.4 0.487 110.7 62.9-112.3 -4.8 33.7 12.5 29.1 34 51 A W E < -LM 31 89C 5 -3,-1.3 -4,-2.4 55,-0.2 -3,-1.2 -0.959 47.2-172.3-133.2 147.7 33.6 13.5 32.8 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.4 -2,-0.4 2,-0.4 -0.950 12.9-150.1-127.7 144.2 36.0 14.3 35.7 36 53 A V E +LM 28 87C 0 -8,-2.2 -8,-2.3 -2,-0.3 2,-0.2 -0.941 31.0 148.9-115.8 139.3 35.2 14.9 39.4 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.741 50.8 -68.0-147.9-165.3 37.4 17.2 41.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.3 47,-0.3 47,-0.3 -0.695 31.2-132.3 -97.6 148.5 36.8 19.6 44.4 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.806 106.5 65.6 -70.7 -26.2 34.7 22.7 44.1 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.547 92.8 64.5 -74.3 -0.2 37.4 24.7 45.8 41 58 A b G < S+ 0 0 4 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.268 77.0 137.9 -99.4 8.8 39.5 24.0 42.7 42 59 A Y < + 0 0 131 -3,-1.9 2,-0.3 -5,-0.0 -3,-0.1 -0.378 17.6 145.9 -64.6 136.4 37.0 26.0 40.6 43 60 A K - 0 0 57 -2,-0.1 2,-0.3 3,-0.0 3,-0.2 -0.912 46.6-114.8-157.1 164.7 38.5 28.3 38.0 44 61 A S S S+ 0 0 104 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.805 94.3 36.0-104.8 149.0 37.4 29.4 34.5 45 62 A G S S+ 0 0 65 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.954 76.3 169.7 75.1 49.4 39.6 28.2 31.5 46 63 A I - 0 0 11 -3,-0.2 21,-1.9 -26,-0.1 2,-0.5 -0.744 22.2-163.2 -99.5 141.9 40.7 24.7 32.6 47 64 A Q E -KN 19 66C 50 -28,-2.1 -28,-2.8 -2,-0.3 2,-0.5 -0.975 17.6-140.7-120.4 134.2 42.5 22.1 30.4 48 65 A V E -KN 18 65C 0 17,-3.5 17,-2.9 -2,-0.5 2,-0.5 -0.838 12.1-157.4 -97.0 129.9 42.4 18.6 31.8 49 66 A R E -KN 17 64C 50 -32,-2.7 -32,-1.8 -2,-0.5 3,-0.3 -0.959 11.9-176.0-117.4 119.9 45.6 16.6 31.3 50 67 A L E + N 0 63C 4 13,-3.0 13,-1.7 -2,-0.5 -34,-0.1 -0.675 61.6 34.8-107.7 157.1 45.3 12.7 31.4 51 69 A G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.3 2,-0.2 0.768 83.2 153.4 68.4 29.2 48.1 10.2 31.2 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.557 22.4 146.2 -92.9 153.4 50.4 12.3 33.1 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 4,-0.2 82,-0.2 0.200 82.3 31.8-141.5 -79.7 53.3 11.3 35.3 54 72 A N S > S- 0 0 27 80,-0.2 3,-0.8 3,-0.2 -1,-0.4 -0.764 70.9-164.8 -85.1 116.4 55.9 14.1 34.9 55 73 A I T 3 S+ 0 0 29 78,-2.5 -1,-0.1 -2,-0.7 79,-0.1 0.533 85.2 54.9 -82.0 -0.7 53.8 17.2 34.4 56 74 A N T 3 S+ 0 0 120 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.454 105.5 57.2-105.0 -7.0 56.8 19.2 33.1 57 75 A V S < S- 0 0 74 -3,-0.8 2,-1.1 76,-0.2 -4,-0.2 -0.985 76.5-132.5-126.9 133.2 57.8 16.8 30.4 58 76 A V + 0 0 117 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.709 32.6 174.4 -82.9 105.3 55.7 15.4 27.4 59 77 A E - 0 0 98 -2,-1.1 -1,-0.2 -5,-0.2 -4,-0.0 0.426 52.0 -98.7 -93.5 0.7 56.5 11.7 27.9 60 78 A G S S+ 0 0 59 -3,-0.1 -2,-0.1 0, 0.0 -9,-0.0 0.105 104.7 79.7 106.3 -23.0 54.2 10.4 25.2 61 79 A N + 0 0 59 -10,-0.3 2,-0.2 38,-0.0 -3,-0.0 0.173 65.7 117.6-108.5 26.5 51.0 9.2 27.1 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.578 40.6-169.7 -95.9 155.6 49.2 12.5 27.6 63 81 A Q E -N 50 0C 36 -13,-1.7 -13,-3.0 -2,-0.2 2,-0.6 -0.982 9.3-163.6-137.5 122.1 45.9 13.7 26.4 64 82 A F E +N 49 0C 72 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.972 17.7 170.6-111.4 116.0 45.2 17.5 27.0 65 83 A I E -N 48 0C 21 -17,-2.9 -17,-3.5 -2,-0.6 2,-0.1 -0.993 28.0-128.6-130.8 137.5 41.5 18.3 26.7 66 84 A S E -N 47 0C 57 -2,-0.4 25,-2.8 -19,-0.3 26,-0.4 -0.460 27.4-112.4 -81.4 159.2 39.7 21.5 27.5 67 85 A A E -O 90 0C 24 -21,-1.9 23,-0.3 23,-0.2 3,-0.1 -0.656 19.7-166.6 -88.0 144.7 36.6 21.5 29.7 68 86 A S E S+ 0 0 69 21,-2.1 2,-0.3 1,-0.4 22,-0.2 0.651 75.2 5.5-100.4 -32.1 33.3 22.5 28.0 69 87 A K E -O 89 0C 83 20,-1.0 20,-3.0 2,-0.0 -1,-0.4 -0.974 57.0-156.2-155.3 148.6 31.5 22.9 31.3 70 88 A S E -O 88 0C 47 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.974 8.4-167.1-123.2 138.5 32.1 22.9 35.1 71 89 A I E -O 87 0C 35 16,-2.7 16,-2.1 -2,-0.4 2,-0.3 -0.944 5.7-160.5-131.5 106.2 29.3 22.2 37.7 72 90 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.628 42.9 -87.0 -83.9 144.5 30.1 23.1 41.3 73 91 A H > - 0 0 22 12,-2.1 3,-1.7 10,-0.3 -1,-0.1 -0.246 36.2-124.3 -51.2 134.6 27.8 21.3 43.7 74 92 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.731 108.3 42.2 -54.6 -27.3 24.6 23.4 44.3 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.079 77.3 142.2-110.9 23.8 25.2 23.4 48.0 76 94 A Y < - 0 0 55 -3,-1.7 2,-0.7 9,-0.1 7,-0.2 -0.498 34.9-159.3 -69.1 125.5 28.9 24.1 48.2 77 95 A N B >> -P 82 0D 69 5,-2.1 4,-2.7 -2,-0.3 5,-0.6 -0.913 4.2-163.2-106.1 106.3 29.8 26.4 51.1 78 96 A S T 45S+ 0 0 79 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.0 0.633 87.7 56.7 -68.0 -10.2 33.2 28.0 50.4 79 97 A N T 45S+ 0 0 144 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.867 123.3 20.1 -89.6 -39.7 33.5 29.0 54.0 80 98 A T T 45S- 0 0 70 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.634 97.4-131.8-100.2 -16.2 33.1 25.6 55.6 81 99 A L T ><5 + 0 0 31 -4,-2.7 3,-0.7 1,-0.3 2,-0.2 0.658 48.8 159.9 72.6 24.7 34.0 23.7 52.5 82 100 A N B 3 < +P 77 0D 35 -5,-0.6 -5,-2.1 1,-0.2 -1,-0.3 -0.579 64.5 18.9 -75.0 141.4 30.9 21.5 52.9 83 101 A N T 3 S+ 0 0 16 -7,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.889 79.9 176.2 64.1 46.6 29.9 19.7 49.6 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.466 32.9 110.8 -83.2 72.8 33.3 20.3 48.1 85 103 A I + 0 0 0 -2,-2.1 -12,-2.1 -47,-0.3 2,-0.3 -0.993 37.8 179.3-144.8 147.7 32.8 18.5 44.8 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.985 18.2-139.6-148.4 151.4 32.6 19.6 41.2 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-2.7 -2,-0.3 2,-0.4 -0.882 13.3-163.0-113.7 143.3 32.1 17.9 37.9 88 106 A I E -MO 35 70C 0 -53,-2.4 -53,-2.4 -2,-0.4 2,-0.4 -0.995 6.7-150.7-128.5 131.6 33.9 18.9 34.7 89 107 A K E -MO 34 69C 40 -20,-3.0 -21,-2.1 -2,-0.4 -20,-1.0 -0.842 18.3-129.9-104.4 144.7 32.9 17.8 31.2 90 108 A L E - 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