==== 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 1C1O . 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) . 9171.0 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 . 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 . 13 5.8 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 . 14 6.3 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 127.8 51.8 14.6 49.2 2 17 A V B +A 171 0A 8 169,-2.8 169,-2.0 1,-0.2 123,-0.1 -0.898 360.0 5.8-107.7 134.2 54.1 14.4 52.2 3 18 A G S S+ 0 0 51 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.696 101.9 120.4 70.4 27.1 55.8 11.1 53.3 4 19 A G - 0 0 33 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.267 56.4-117.2-105.6-166.9 54.6 9.3 50.2 5 20 A Y E -B 137 0B 91 132,-2.5 132,-3.0 -2,-0.1 2,-0.5 -0.841 33.8 -85.6-131.2 167.0 56.4 7.5 47.4 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.644 37.0-150.1 -75.6 124.3 56.8 7.9 43.6 7 22 A a - 0 0 19 128,-2.1 -1,-0.2 -2,-0.5 2,-0.1 0.912 35.0-113.7 -61.3 -50.7 53.8 6.1 42.1 8 23 A G > - 0 0 27 127,-0.5 3,-1.5 -3,-0.1 4,-0.3 -0.116 48.5 -55.7 119.0 144.4 55.5 5.0 38.9 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.280 118.1 -12.0 -57.2 127.8 54.4 6.3 35.5 10 25 A N T 3 S+ 0 0 33 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.713 89.6 126.8 51.5 34.7 50.8 5.7 34.7 11 26 A T S < S+ 0 0 80 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.521 78.1 49.2 -90.7 -7.1 50.1 3.3 37.7 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-2.1 87,-0.1 -1,-0.3 -0.667 75.4 173.3-125.9 70.4 47.2 5.6 38.7 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.671 71.3 58.3 -64.7 -17.3 45.6 5.8 35.2 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.1 88,-0.1 2,-0.4 0.415 80.0 114.2 -91.5 2.0 42.4 7.7 36.4 15 30 A Q E < -J 28 0C 7 -3,-2.1 36,-0.5 13,-0.2 37,-0.4 -0.610 45.8-171.7 -80.5 129.7 44.5 10.6 37.8 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.1 -2,-0.4 2,-0.4 -0.822 16.3-147.0-117.6 157.4 44.0 13.9 36.1 17 32 A S E -JK 26 49C 0 32,-1.9 32,-2.5 -2,-0.3 2,-0.5 -0.991 15.5-143.5-122.6 129.9 45.9 17.2 36.4 18 33 A L E -JK 25 48C 0 7,-3.4 6,-2.3 -2,-0.4 7,-1.1 -0.829 23.5-168.5 -96.2 131.4 43.8 20.4 35.9 19 34 A N E +JK 23 47C 20 28,-2.8 28,-1.8 -2,-0.5 4,-0.2 -0.975 31.5 171.0-127.0 133.4 45.9 23.1 34.2 20 37 A S S S- 0 0 34 2,-2.5 3,-0.1 -2,-0.4 26,-0.1 -0.288 97.5 -46.3-131.5 45.5 45.3 26.8 33.6 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.240 141.4 28.5 108.0 -8.5 48.8 27.4 32.2 22 39 A Y S S- 0 0 134 -4,-0.0 -2,-2.5 0, 0.0 2,-0.3 -0.902 103.7 -82.7-168.6 159.3 50.3 25.4 35.2 23 40 A H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.580 50.5 159.7 -73.8 128.3 48.9 22.5 37.3 24 41 A F E + 0 0 32 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.528 60.7 5.5-127.2 -18.0 46.7 23.9 40.1 25 42 A b E -J 18 0C 6 -7,-1.1 -7,-3.4 151,-0.1 -1,-0.4 -0.979 61.4-125.6-159.7 166.4 44.5 20.8 41.1 26 43 A G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.451 26.7 176.3-106.2 178.7 44.1 17.1 40.6 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.941 25.0-113.3-170.3 176.6 40.9 15.2 39.5 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.1 -2,-0.3 2,-0.6 -0.984 19.8-129.2-128.7 139.5 39.6 11.7 38.7 29 46 A L E + L 0 35C 1 -15,-2.1 74,-2.3 -2,-0.4 6,-0.2 -0.782 24.9 177.1 -88.3 122.6 38.3 10.4 35.3 30 47 A I E - 0 0 21 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.632 69.6 -18.1 -99.7 -18.4 34.9 8.7 35.9 31 48 A N E > S- L 0 34C 47 3,-1.3 3,-1.0 70,-0.1 -1,-0.4 -0.923 88.8 -73.3-170.6 171.6 34.2 7.9 32.2 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.677 128.7 33.8 -51.0 -28.3 35.5 9.1 28.7 33 50 A Q T 3 S+ 0 0 79 60,-0.2 57,-2.4 1,-0.1 2,-0.4 0.511 110.7 63.5-108.2 -6.4 33.7 12.5 28.9 34 51 A W E < -LM 31 89C 4 -3,-1.0 -4,-2.2 55,-0.2 -3,-1.3 -0.959 45.7-174.8-133.4 147.4 33.7 13.4 32.7 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.7 -2,-0.4 2,-0.4 -0.942 13.7-150.4-127.7 144.0 36.1 14.3 35.5 36 53 A V E +LM 28 87C 2 -8,-2.1 -8,-2.2 -2,-0.3 2,-0.2 -0.939 30.2 148.6-116.7 140.0 35.2 14.9 39.3 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.1 -2,-0.4 2,-0.3 -0.735 51.6 -63.9-148.4-164.0 37.4 17.3 41.3 38 55 A A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.3 47,-0.3 -0.727 33.6-132.3 -97.0 142.2 36.9 19.6 44.2 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.845 106.7 64.4 -61.7 -29.8 34.6 22.6 43.9 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.647 93.7 63.1 -72.7 -4.8 37.3 24.9 45.5 41 58 A b G < S+ 0 0 3 -3,-2.0 -1,-0.3 -15,-0.0 -2,-0.2 0.389 76.1 135.5 -93.2 0.5 39.4 24.1 42.4 42 59 A Y < + 0 0 123 -3,-2.0 2,-0.3 -4,-0.2 -3,-0.0 -0.244 21.5 152.4 -53.8 134.0 36.8 25.8 40.2 43 60 A K - 0 0 60 0, 0.0 2,-0.3 0, 0.0 3,-0.2 -0.936 45.6-117.6-155.3 158.5 38.4 28.2 37.6 44 61 A S S S+ 0 0 95 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.772 96.1 39.4 -98.1 147.3 37.2 29.3 34.2 45 62 A G S S+ 0 0 68 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.961 75.7 168.8 79.5 50.9 39.7 28.1 31.4 46 63 A I - 0 0 10 -3,-0.2 21,-2.2 21,-0.1 2,-0.5 -0.768 21.0-165.8-101.9 141.6 40.6 24.6 32.5 47 64 A Q E -KN 19 66C 48 -28,-1.8 -28,-2.8 -2,-0.4 2,-0.5 -0.988 18.2-140.3-124.1 133.0 42.5 22.1 30.3 48 65 A V E -KN 18 65C 0 17,-3.5 17,-2.6 -2,-0.5 2,-0.6 -0.836 11.1-157.1 -99.5 129.6 42.4 18.5 31.6 49 66 A R E -KN 17 64C 50 -32,-2.5 -32,-1.9 -2,-0.5 3,-0.3 -0.948 12.7-176.5-116.4 114.9 45.6 16.6 31.2 50 67 A L E + N 0 63C 4 13,-3.0 13,-1.6 -2,-0.6 -34,-0.1 -0.667 60.2 31.6-103.9 157.2 45.3 12.8 31.2 51 69 A G S S+ 0 0 5 -36,-0.5 10,-0.3 -38,-0.3 2,-0.2 0.705 83.5 151.1 67.0 25.2 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 -0.499 24.4 152.0 -89.4 154.1 50.6 12.2 33.0 53 71 A D S S+ 0 0 16 1,-0.5 2,-0.7 4,-0.3 82,-0.2 0.245 81.9 31.9-137.3 -78.3 53.4 11.3 35.1 54 72 A N S > S- 0 0 30 80,-0.2 3,-1.0 3,-0.2 -1,-0.5 -0.751 73.1-160.0 -84.3 117.2 56.0 14.2 34.9 55 73 A I T 3 S+ 0 0 29 78,-2.6 -1,-0.1 -2,-0.7 79,-0.1 0.459 87.3 52.9 -82.1 4.2 53.8 17.3 34.3 56 74 A N T 3 S+ 0 0 120 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.354 104.7 59.9-114.5 4.0 56.7 19.3 32.9 57 75 A V S < S- 0 0 69 -3,-1.0 2,-1.0 76,-0.2 -4,-0.3 -0.997 75.0-136.0-135.2 130.1 57.8 16.7 30.3 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.735 30.1 174.9 -85.7 106.6 55.6 15.4 27.4 59 77 A E - 0 0 98 -2,-1.0 -1,-0.2 -5,-0.2 -7,-0.0 0.430 52.7 -96.7 -95.0 0.0 56.6 11.7 27.7 60 78 A G S S+ 0 0 60 -3,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.140 105.9 79.8 107.3 -17.9 54.2 10.4 25.1 61 79 A N + 0 0 50 -10,-0.3 2,-0.2 38,-0.0 -3,-0.0 0.222 65.6 115.5-109.3 19.5 51.1 9.2 27.0 62 80 A E - 0 0 29 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.544 41.2-169.8 -91.0 155.8 49.3 12.5 27.6 63 81 A Q E -N 50 0C 37 -13,-1.6 -13,-3.0 -2,-0.2 2,-0.6 -0.977 8.8-162.9-137.8 125.7 46.0 13.7 26.2 64 82 A F E +N 49 0C 71 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.982 17.9 170.5-116.3 111.9 45.3 17.4 26.8 65 83 A I E -N 48 0C 21 -17,-2.6 -17,-3.5 -2,-0.6 2,-0.1 -0.983 28.5-127.1-126.4 136.0 41.5 18.1 26.4 66 84 A S E -N 47 0C 54 -2,-0.4 25,-2.9 -19,-0.3 26,-0.4 -0.447 27.6-110.0 -80.1 157.6 39.8 21.4 27.3 67 85 A A E -O 90 0C 22 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.641 21.2-166.4 -84.8 141.5 36.7 21.5 29.6 68 86 A S E S- 0 0 66 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.757 74.4 -0.3 -98.0 -32.3 33.4 22.3 27.8 69 87 A K E -O 89 0C 85 20,-1.1 20,-3.0 2,-0.0 -1,-0.4 -0.984 56.5-153.6-157.5 153.4 31.6 22.9 31.1 70 88 A S E -O 88 0C 43 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.965 7.7-165.8-127.4 141.3 32.1 22.8 34.9 71 89 A I E -O 87 0C 36 16,-2.8 16,-2.4 -2,-0.4 2,-0.3 -0.959 6.2-159.9-132.9 110.6 29.3 22.2 37.4 72 90 A V E -O 86 0C 49 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.653 43.1 -85.1 -86.9 146.5 30.0 23.0 41.1 73 91 A H > - 0 0 21 12,-2.1 3,-1.9 -2,-0.3 -1,-0.1 -0.232 35.1-123.6 -51.0 135.8 27.7 21.3 43.6 74 92 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.757 110.8 40.2 -53.6 -26.7 24.4 23.2 44.1 75 93 A S T 3 S+ 0 0 69 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.189 77.9 141.5-111.2 19.2 25.2 23.4 47.9 76 94 A Y < - 0 0 55 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.417 33.7-161.6 -63.3 136.3 28.9 24.0 47.9 77 95 A N B >> -P 82 0D 67 5,-2.0 4,-2.1 -2,-0.1 5,-0.6 -0.972 7.3-161.6-119.3 107.8 29.8 26.4 50.8 78 96 A S T 45S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.622 87.6 57.6 -70.5 -8.9 33.2 28.0 50.2 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.875 123.0 19.8 -88.7 -37.8 33.5 29.0 53.8 80 98 A T T 45S- 0 0 71 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.563 96.6-130.8-103.5 -12.7 33.1 25.6 55.4 81 99 A L T ><5 + 0 0 30 -4,-2.1 3,-0.7 1,-0.3 2,-0.2 0.699 49.9 159.8 68.7 24.5 34.0 23.6 52.3 82 100 A N B 3 < +P 77 0D 34 -5,-0.6 -5,-2.0 1,-0.2 -1,-0.3 -0.571 64.3 17.3 -77.0 140.9 31.0 21.5 52.8 83 101 A N T 3 S+ 0 0 16 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.919 80.4 176.9 62.9 49.5 29.9 19.7 49.5 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.494 32.8 111.4 -84.0 73.9 33.3 20.3 48.0 85 103 A I + 0 0 0 -2,-2.0 -12,-2.1 -47,-0.3 2,-0.3 -0.994 36.8 177.3-144.7 146.6 32.8 18.5 44.7 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.4 -2,-0.3 2,-0.4 -0.981 19.5-137.4-148.1 155.5 32.5 19.6 41.1 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.8 -2,-0.3 2,-0.4 -0.930 13.1-162.9-116.9 140.7 32.1 17.8 37.7 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.4 -2,-0.4 2,-0.4 -0.997 7.0-151.2-127.4 125.9 34.0 18.8 34.5 89 107 A K E -MO 34 69C 39 -20,-3.0 -21,-2.8 -2,-0.4 -20,-1.1 -0.815 18.0-129.5-100.3 140.4 32.9 17.7 31.1 90 108 A L E - 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