==== 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 1C2F . 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) . 9238.0 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 . 70 31.4 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 . 19 8.5 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 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 1 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 0.000 360.0 360.0 360.0 132.2 51.6 14.5 49.3 2 17 A V B +A 171 0A 8 169,-2.9 169,-1.6 1,-0.2 123,-0.1 -0.922 360.0 7.3-112.8 134.8 53.9 14.3 52.3 3 18 A G S S+ 0 0 52 121,-0.4 -1,-0.2 -2,-0.4 2,-0.1 0.737 101.6 123.7 68.9 30.1 55.7 11.1 53.3 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 134,-0.1 134,-0.2 -0.195 53.3-123.9-102.9-164.2 54.5 9.4 50.1 5 20 A Y E -B 137 0B 91 132,-2.1 132,-2.8 -2,-0.1 2,-0.6 -0.867 33.8 -81.5-138.2 171.4 56.3 7.6 47.3 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 3,-0.1 -0.671 36.2-154.3 -79.2 119.6 56.7 7.8 43.6 7 22 A a - 0 0 20 128,-1.4 -1,-0.2 -2,-0.6 2,-0.2 0.926 38.4-114.7 -56.4 -52.2 53.7 5.9 42.2 8 23 A G > - 0 0 26 127,-0.5 3,-1.4 -3,-0.1 4,-0.3 -0.258 46.9 -50.7 122.4 154.5 55.4 5.1 39.0 9 24 A A T 3 S- 0 0 53 1,-0.3 44,-0.1 -2,-0.2 43,-0.0 -0.369 119.8 -12.7 -62.3 125.1 54.4 6.2 35.5 10 25 A N T 3 S+ 0 0 24 42,-0.4 -1,-0.3 -2,-0.2 43,-0.1 0.777 89.8 128.9 54.0 40.7 50.8 5.7 34.7 11 26 A T S < S+ 0 0 78 -3,-1.4 -2,-0.1 1,-0.2 -1,-0.1 0.598 75.2 48.8 -94.0 -9.7 50.1 3.4 37.7 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.3 87,-0.1 -1,-0.2 -0.636 74.2 175.4-123.2 67.6 47.1 5.6 38.7 13 28 A P T 3 S+ 0 0 35 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.593 72.3 57.0 -60.9 -14.3 45.4 5.8 35.2 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.2 0.473 81.4 112.2 -93.7 -4.5 42.3 7.7 36.4 15 30 A Q E < -J 28 0C 7 -3,-2.3 36,-0.5 13,-0.2 37,-0.4 -0.519 47.1-171.3 -75.0 136.1 44.3 10.6 37.9 16 31 A V E -JK 27 50C 0 11,-2.5 11,-1.3 -2,-0.2 2,-0.4 -0.863 17.3-143.1-125.3 159.9 44.0 13.9 36.1 17 32 A S E -JK 26 49C 1 32,-1.6 32,-2.3 -2,-0.3 2,-0.5 -0.987 14.4-144.2-122.9 129.8 45.8 17.2 36.4 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.1 -2,-0.4 7,-1.0 -0.829 23.3-170.2 -96.9 130.2 43.8 20.4 36.0 19 34 A N E +JK 23 47C 24 28,-2.7 28,-2.3 -2,-0.5 4,-0.2 -0.988 29.9 170.2-127.5 131.9 45.9 23.0 34.3 20 37 A S S S- 0 0 30 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.369 97.5 -44.8-130.3 47.5 45.2 26.7 33.8 21 38 A G S S+ 0 0 67 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.354 140.9 25.0 106.0 -2.6 48.7 27.4 32.5 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.2 0, 0.0 2,-0.2 -0.859 104.0 -79.4-177.9 157.4 50.3 25.3 35.3 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.512 52.1 158.5 -70.2 134.6 49.0 22.5 37.4 24 41 A F E + 0 0 32 -6,-2.1 2,-0.3 1,-0.5 151,-0.2 0.520 60.5 4.1-133.2 -22.1 46.8 23.7 40.2 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.3 151,-0.1 -1,-0.5 -0.965 61.2-126.8-157.1 171.3 44.6 20.8 41.2 26 43 A G E +J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.520 24.8 176.7-113.1 178.2 44.0 17.1 40.5 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.5 -2,-0.2 2,-0.4 -0.963 25.3-110.7-171.3 175.3 40.9 15.2 39.6 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.2 -2,-0.3 2,-0.5 -0.979 20.8-130.7-125.4 135.7 39.5 11.8 38.7 29 46 A L E + L 0 35C 0 -15,-2.4 74,-2.2 -2,-0.4 6,-0.2 -0.711 22.9 179.2 -82.7 126.8 38.1 10.5 35.4 30 47 A I E - 0 0 21 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.594 69.3 -16.8-103.5 -13.0 34.7 8.8 35.9 31 48 A N E > S- L 0 34C 48 3,-1.1 3,-0.8 70,-0.1 -1,-0.4 -0.921 90.4 -72.9-173.1 169.9 34.0 8.0 32.2 32 49 A S T 3 S+ 0 0 42 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.655 128.9 32.3 -50.9 -24.6 35.4 9.2 28.8 33 50 A Q T 3 S+ 0 0 83 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.556 110.6 62.7-112.2 -10.5 33.6 12.6 29.0 34 51 A W E < -LM 31 89C 5 -3,-0.8 -4,-2.5 55,-0.2 -3,-1.1 -0.950 47.6-173.0-129.4 145.9 33.5 13.6 32.7 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.7 -2,-0.4 2,-0.4 -0.950 13.8-148.9-127.3 144.9 35.9 14.3 35.6 36 53 A V E +LM 28 87C 1 -8,-2.2 -8,-2.2 -2,-0.3 51,-0.2 -0.921 31.4 150.9-111.1 140.5 35.0 14.9 39.4 37 54 A S E - M 0 86C 0 49,-3.0 49,-2.4 -2,-0.4 2,-0.3 -0.743 49.2 -69.6-149.7-165.6 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 -0.709 31.0-131.8 -98.1 145.2 36.8 19.6 44.3 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.802 105.6 65.1 -67.1 -24.9 34.7 22.8 44.2 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.532 94.6 62.3 -76.5 0.6 37.5 24.8 45.9 41 58 A b G < S+ 0 0 3 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.257 78.5 136.4-102.2 6.9 39.5 24.0 42.7 42 59 A Y < + 0 0 126 -3,-1.7 2,-0.3 -5,-0.0 -3,-0.0 -0.355 19.2 143.5 -60.9 138.9 37.0 25.9 40.6 43 60 A K - 0 0 56 3,-0.0 2,-0.3 0, 0.0 3,-0.2 -0.910 47.4-113.8-162.0 168.9 38.4 28.3 37.9 44 61 A S S S+ 0 0 93 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.776 95.0 41.0-107.9 154.1 37.4 29.3 34.5 45 62 A G S S+ 0 0 69 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.918 75.5 168.2 74.5 43.2 39.8 28.3 31.6 46 63 A I - 0 0 10 -3,-0.2 21,-1.9 21,-0.1 2,-0.4 -0.771 20.4-166.9 -96.3 134.6 40.6 24.8 32.7 47 64 A Q E -KN 19 66C 53 -28,-2.3 -28,-2.7 -2,-0.4 2,-0.4 -0.968 17.8-139.9-116.8 132.5 42.4 22.2 30.5 48 65 A V E -KN 18 65C 0 17,-3.5 17,-3.1 -2,-0.4 2,-0.5 -0.784 11.5-158.3 -95.4 135.0 42.3 18.6 31.7 49 66 A R E -KN 17 64C 52 -32,-2.3 -32,-1.6 -2,-0.4 3,-0.3 -0.957 11.6-176.8-122.0 113.1 45.6 16.5 31.3 50 67 A L E +KN 16 63C 4 13,-2.8 13,-1.8 -2,-0.5 -34,-0.1 -0.715 62.9 33.7-103.5 153.4 45.2 12.7 31.3 51 69 A G S S+ 0 0 5 -36,-0.5 10,-0.3 48,-0.3 2,-0.2 0.739 84.0 151.1 72.9 26.1 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 -0.546 20.1 148.2 -91.0 155.4 50.4 12.3 33.0 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.2 82,-0.3 0.209 81.5 31.4-144.1 -73.5 53.3 11.3 35.2 54 72 A N S > S- 0 0 27 3,-0.2 3,-1.0 80,-0.2 -1,-0.4 -0.855 74.1-162.8 -91.0 113.2 55.9 14.0 34.9 55 73 A I T 3 S+ 0 0 31 78,-2.4 -1,-0.1 -2,-0.8 79,-0.1 0.493 85.7 55.1 -77.4 -1.8 53.7 17.1 34.4 56 74 A N T 3 S+ 0 0 124 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.446 104.2 60.5-104.8 -5.1 56.6 19.2 33.1 57 75 A V S < S- 0 0 69 -3,-1.0 2,-1.3 76,-0.2 -4,-0.2 -0.981 75.8-134.1-128.0 126.7 57.6 16.7 30.3 58 76 A V + 0 0 118 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.602 33.8 171.9 -76.4 99.3 55.6 15.5 27.4 59 77 A E - 0 0 98 -2,-1.3 -1,-0.2 -5,-0.3 -4,-0.0 0.542 52.8 -99.5 -88.4 -7.0 56.5 11.8 27.8 60 78 A G S S+ 0 0 57 -3,-0.1 -2,-0.1 -9,-0.0 -8,-0.1 0.080 103.3 80.4 112.6 -22.9 54.1 10.5 25.2 61 79 A N + 0 0 62 -10,-0.3 2,-0.2 38,-0.0 -9,-0.1 0.324 65.9 116.0-104.0 17.5 50.9 9.2 27.0 62 80 A E - 0 0 29 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.489 41.5-169.9 -89.6 154.5 49.1 12.5 27.6 63 81 A Q E -N 50 0C 40 -13,-1.8 -13,-2.8 -2,-0.2 2,-0.5 -0.977 10.6-161.4-135.6 127.8 45.9 13.7 26.3 64 82 A F E +N 49 0C 71 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.985 18.9 171.3-115.5 115.6 45.2 17.5 26.9 65 83 A I E -N 48 0C 21 -17,-3.1 -17,-3.5 -2,-0.5 2,-0.1 -0.991 28.0-126.0-132.3 138.6 41.5 18.3 26.6 66 84 A S E -N 47 0C 54 -2,-0.4 25,-2.8 -19,-0.3 26,-0.4 -0.434 26.6-113.7 -80.6 157.8 39.6 21.5 27.4 67 85 A A E -O 90 0C 23 -21,-1.9 23,-0.3 23,-0.2 3,-0.1 -0.714 19.2-166.2 -88.6 139.7 36.6 21.5 29.7 68 86 A S E S+ 0 0 66 21,-2.2 2,-0.3 1,-0.4 22,-0.2 0.719 74.5 2.0 -95.9 -32.6 33.3 22.5 28.0 69 87 A K E -O 89 0C 81 20,-0.9 20,-2.9 2,-0.0 -1,-0.4 -0.980 57.7-154.7-154.3 154.1 31.4 23.0 31.3 70 88 A S E -O 88 0C 46 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.989 8.3-165.1-130.2 135.5 32.1 22.9 35.1 71 89 A I E -O 87 0C 36 16,-2.8 16,-1.9 -2,-0.3 2,-0.2 -0.955 5.7-158.8-125.3 110.4 29.3 22.3 37.7 72 90 A V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.620 43.2 -87.6 -84.5 147.9 30.1 23.1 41.3 73 91 A H > - 0 0 21 12,-2.1 3,-1.7 10,-0.3 -1,-0.1 -0.341 37.0-125.3 -55.8 135.7 27.8 21.3 43.8 74 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.691 108.0 42.4 -56.0 -27.9 24.6 23.4 44.3 75 93 A S T 3 S+ 0 0 75 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.082 79.1 144.2-109.7 23.4 25.1 23.5 48.1 76 94 A Y < - 0 0 55 -3,-1.7 2,-0.6 9,-0.1 7,-0.2 -0.477 34.2-159.0 -66.0 129.4 28.9 24.1 48.2 77 95 A N > - 0 0 67 5,-2.1 4,-2.4 -2,-0.2 5,-0.4 -0.946 5.8-165.2-111.5 109.7 29.9 26.3 51.2 78 96 A S T 4 S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.653 87.2 56.7 -74.3 -11.2 33.3 27.9 50.5 79 97 A N T 4 S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.909 123.8 19.4 -85.9 -46.3 33.5 28.9 54.1 80 98 A T T 4 S- 0 0 72 2,-0.1 -2,-0.2 3,-0.0 3,-0.1 0.659 95.7-131.5 -96.0 -16.1 33.1 25.5 55.7 81 99 A L >< + 0 0 29 -4,-2.4 3,-0.6 1,-0.3 2,-0.2 0.650 49.2 159.1 71.6 23.0 34.0 23.5 52.5 82 100 A N T 3 + 0 0 34 -5,-0.4 -5,-2.1 1,-0.2 -1,-0.3 -0.584 65.8 19.9 -73.6 138.7 30.9 21.4 53.1 83 101 A N T 3 S+ 0 0 16 -2,-0.2 2,-1.8 -7,-0.2 -10,-0.3 0.917 78.9 176.6 64.7 52.4 30.0 19.7 49.7 84 102 A D < + 0 0 0 -3,-0.6 2,-0.3 75,-0.2 123,-0.2 -0.481 33.7 110.3 -85.9 69.6 33.4 20.2 48.2 85 103 A I + 0 0 0 -2,-1.8 -12,-2.1 -47,-0.3 2,-0.3 -0.992 37.2 178.4-144.6 146.4 32.8 18.5 44.8 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-3.0 -2,-0.3 2,-0.4 -0.958 18.5-140.0-144.9 152.6 32.6 19.7 41.2 87 105 A L E -MO 36 71C 0 -16,-1.9 -16,-2.8 -2,-0.3 2,-0.4 -0.918 12.6-162.5-117.3 140.3 32.1 17.9 37.8 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.6 -2,-0.4 2,-0.4 -0.985 6.8-150.7-125.3 136.0 34.0 19.0 34.7 89 107 A K E -MO 34 69C 37 -20,-2.9 -21,-2.2 -2,-0.4 -20,-0.9 -0.864 18.1-129.0-107.5 145.3 32.8 17.9 31.3 90 108 A L E - 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