==== 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 1C1N . 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) . 9227.0 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 . 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 . 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 . 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 . 3 1 3 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,-0.2 0.000 360.0 360.0 360.0 134.1 51.7 14.5 49.2 2 17 A V B +A 171 0A 8 169,-2.7 169,-1.9 1,-0.2 123,-0.1 -0.933 360.0 9.1-113.7 132.3 54.0 14.3 52.2 3 18 A G S S+ 0 0 51 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.697 102.0 119.2 73.7 23.8 55.6 11.0 53.2 4 19 A G - 0 0 31 -3,-0.2 2,-0.3 167,-0.1 134,-0.2 -0.234 56.4-119.6-104.4-167.8 54.5 9.3 50.1 5 20 A Y E -B 137 0B 93 132,-2.4 132,-2.9 -2,-0.1 2,-0.5 -0.854 33.7 -84.9-132.8 169.5 56.3 7.6 47.3 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 3,-0.1 -0.645 38.6-150.7 -75.6 123.3 56.6 7.9 43.5 7 22 A a - 0 0 20 128,-1.9 2,-0.2 -2,-0.5 -1,-0.2 0.950 37.4-108.1 -58.5 -55.4 53.7 6.0 42.1 8 23 A G > - 0 0 23 127,-0.4 3,-1.4 -3,-0.1 4,-0.3 -0.366 48.4 -57.2 131.0 153.0 55.2 5.0 38.9 9 24 A A T 3 S- 0 0 50 1,-0.3 44,-0.1 -2,-0.2 43,-0.0 -0.419 119.6 -12.7 -62.9 125.6 54.4 6.3 35.5 10 25 A N T 3 S+ 0 0 24 42,-0.3 -1,-0.3 -2,-0.2 43,-0.1 0.809 90.2 128.5 50.7 44.2 50.7 5.8 34.8 11 26 A T S < S+ 0 0 79 -3,-1.4 -2,-0.1 1,-0.2 -1,-0.1 0.529 76.1 50.3 -98.1 -10.1 50.0 3.4 37.8 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-1.9 1,-0.1 -1,-0.2 -0.727 75.4 174.9-122.6 73.3 47.0 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 0.629 71.5 57.5 -67.6 -13.4 45.4 5.7 35.3 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.417 80.8 112.8 -94.8 -1.1 42.3 7.6 36.5 15 30 A Q E < -J 28 0C 5 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.549 47.0-170.5 -77.0 134.7 44.4 10.5 37.9 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.2 -2,-0.3 2,-0.5 -0.868 17.5-145.0-123.5 159.9 44.0 13.8 36.1 17 32 A S E -JK 26 49C 1 32,-1.9 32,-2.7 -2,-0.3 2,-0.5 -0.992 15.3-145.9-124.2 127.2 45.9 17.2 36.4 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.4 -2,-0.5 7,-1.1 -0.856 23.4-169.9 -96.7 127.1 43.7 20.3 35.9 19 34 A N E +JK 23 47C 21 28,-3.0 28,-2.2 -2,-0.5 4,-0.2 -0.968 31.2 172.0-125.0 136.1 45.8 23.0 34.2 20 37 A S S S- 0 0 34 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.397 97.4 -45.5-133.0 49.7 45.1 26.7 33.5 21 38 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.269 141.1 29.0 104.3 -10.5 48.7 27.4 32.2 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.915 102.4 -82.5-168.4 159.2 50.1 25.4 35.1 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.553 51.3 157.6 -71.9 128.6 48.9 22.5 37.3 24 41 A F E + 0 0 30 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.559 59.4 6.0-129.4 -20.3 46.6 23.7 40.0 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.2 151,-0.1 -1,-0.4 -0.986 61.3-124.3-158.1 164.6 44.5 20.7 41.1 26 43 A G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.467 26.6 178.5-103.8 176.6 44.0 17.0 40.6 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.943 24.3-116.0-165.7 174.8 40.8 15.2 39.5 28 45 A S E -JL 15 36C 2 8,-2.4 8,-2.2 -2,-0.3 2,-0.6 -0.985 20.0-128.9-128.0 137.5 39.5 11.7 38.7 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.2 -2,-0.4 6,-0.2 -0.743 25.8 176.5 -85.7 122.6 38.3 10.4 35.4 30 47 A I E - 0 0 19 4,-2.5 2,-0.3 -2,-0.6 5,-0.2 0.668 68.3 -18.2-100.6 -19.9 34.9 8.7 35.9 31 48 A N E > S- L 0 34C 50 3,-1.2 3,-1.0 70,-0.1 -1,-0.4 -0.935 88.8 -72.4-169.6 172.1 34.1 7.9 32.2 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.693 129.1 31.7 -50.8 -26.7 35.4 9.0 28.8 33 50 A Q T 3 S+ 0 0 81 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.502 110.4 67.1-111.2 -6.2 33.6 12.5 29.0 34 51 A W E < -LM 31 89C 4 -3,-1.0 -4,-2.5 55,-0.2 -3,-1.2 -0.952 45.4-175.3-131.4 145.0 33.6 13.3 32.7 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.7 -2,-0.4 2,-0.4 -0.939 13.7-151.1-125.7 143.4 36.0 14.2 35.5 36 53 A V E +LM 28 87C 1 -8,-2.2 -8,-2.4 -2,-0.3 2,-0.2 -0.938 30.7 148.9-114.1 138.6 35.1 14.8 39.3 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.3 -2,-0.4 2,-0.3 -0.771 51.1 -65.7-147.1-166.5 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 -0.700 33.0-131.4 -94.9 146.2 36.8 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 0.855 107.2 63.4 -63.0 -34.7 34.5 22.7 44.0 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.563 93.4 64.1 -69.9 -4.0 37.2 24.8 45.5 41 58 A b G < S+ 0 0 3 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.347 76.3 135.6 -94.5 1.3 39.4 24.0 42.4 42 59 A Y < + 0 0 129 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.308 21.7 151.7 -57.3 134.0 36.8 25.8 40.3 43 60 A K - 0 0 57 0, 0.0 2,-0.4 0, 0.0 3,-0.2 -0.931 45.8-114.9-154.4 162.2 38.4 28.1 37.6 44 61 A S S S+ 0 0 104 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.855 96.2 36.9-103.1 139.2 37.3 29.4 34.3 45 62 A G S S+ 0 0 62 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.936 75.5 172.7 84.9 52.9 39.6 28.1 31.4 46 63 A I - 0 0 12 -3,-0.2 21,-2.2 21,-0.1 2,-0.5 -0.778 19.5-167.2 -99.8 139.2 40.5 24.6 32.5 47 64 A Q E -KN 19 66C 50 -28,-2.2 -28,-3.0 -2,-0.4 2,-0.4 -0.980 18.2-142.8-119.7 131.3 42.4 22.1 30.3 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.8 -2,-0.5 2,-0.5 -0.812 10.2-157.6 -97.6 133.9 42.4 18.5 31.7 49 66 A R E -KN 17 64C 48 -32,-2.7 -32,-1.9 -2,-0.4 3,-0.3 -0.970 12.3-176.5-119.0 119.6 45.5 16.5 31.2 50 67 A L E + N 0 63C 4 13,-2.9 13,-1.6 -2,-0.5 -34,-0.1 -0.711 62.1 34.0-108.5 159.0 45.2 12.6 31.3 51 69 A G S S+ 0 0 5 -36,-0.5 2,-0.3 48,-0.3 10,-0.2 0.750 83.9 154.6 66.1 29.2 48.0 10.0 31.1 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.610 22.8 149.7 -91.3 145.9 50.4 12.2 33.0 53 71 A D S S+ 0 0 17 1,-0.4 2,-0.7 4,-0.3 82,-0.4 0.359 81.2 30.5-132.4 -72.8 53.3 11.2 35.1 54 72 A N S > S- 0 0 29 3,-0.2 3,-0.9 80,-0.2 -1,-0.4 -0.813 70.6-161.0 -93.0 116.7 55.8 14.1 34.9 55 73 A I T 3 S+ 0 0 32 78,-2.5 -1,-0.1 -2,-0.7 79,-0.1 0.558 88.8 51.7 -75.3 -5.3 53.7 17.3 34.4 56 74 A N T 3 S+ 0 0 119 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.420 105.4 59.8-107.8 -4.3 56.7 19.2 33.0 57 75 A V S < S- 0 0 70 -3,-0.9 2,-1.1 76,-0.2 -4,-0.3 -0.993 72.9-139.5-127.7 129.8 57.7 16.7 30.4 58 76 A V + 0 0 109 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.770 29.0 174.0 -87.2 103.4 55.5 15.4 27.4 59 77 A E - 0 0 97 -2,-1.1 -1,-0.2 -5,-0.2 -7,-0.0 0.274 53.3 -96.2 -95.0 7.4 56.5 11.7 27.6 60 78 A G S S+ 0 0 60 1,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.110 105.2 81.5 102.4 -26.0 54.1 10.4 24.9 61 79 A N + 0 0 61 -10,-0.2 2,-0.2 2,-0.0 -3,-0.0 0.148 65.6 116.1-105.0 27.3 51.0 9.1 26.8 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.614 42.7-167.3 -98.9 158.6 49.2 12.3 27.4 63 81 A Q E -N 50 0C 35 -13,-1.6 -13,-2.9 -2,-0.2 2,-0.6 -0.985 8.2-164.6-135.6 122.0 45.9 13.6 26.3 64 82 A F E +N 49 0C 73 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.968 18.0 170.7-111.7 115.5 45.2 17.3 26.8 65 83 A I E -N 48 0C 19 -17,-2.8 -17,-3.2 -2,-0.6 2,-0.1 -0.993 28.1-128.7-130.6 133.0 41.5 18.1 26.5 66 84 A S E -N 47 0C 56 -2,-0.4 25,-2.9 -19,-0.3 26,-0.4 -0.457 27.6-111.6 -78.8 155.8 39.7 21.3 27.3 67 85 A A E -O 90 0C 23 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.632 19.1-165.0 -84.5 144.2 36.6 21.3 29.5 68 86 A S E S+ 0 0 67 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.705 74.3 0.3 -97.4 -33.5 33.3 22.3 27.8 69 87 A K E -O 89 0C 84 20,-1.1 20,-2.9 2,-0.0 -1,-0.4 -0.984 56.1-153.1-156.1 153.1 31.5 22.8 31.2 70 88 A S E -O 88 0C 44 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.969 8.3-165.5-126.8 142.0 32.0 22.8 34.9 71 89 A I E -O 87 0C 35 16,-2.6 16,-2.2 -2,-0.4 2,-0.3 -0.956 5.8-159.4-132.1 109.9 29.2 22.1 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 41.9 -87.3 -86.8 146.3 29.9 23.0 41.0 73 91 A H > - 0 0 21 12,-2.1 3,-1.9 -2,-0.3 -1,-0.1 -0.233 35.5-123.0 -53.1 135.1 27.6 21.2 43.5 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.801 109.5 40.8 -50.6 -33.5 24.4 23.2 44.1 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.102 77.6 143.0-106.9 23.9 25.1 23.4 47.9 76 94 A Y < - 0 0 57 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.451 32.5-162.1 -66.1 134.2 28.8 24.0 47.9 77 95 A N B >> -P 82 0D 65 5,-1.9 4,-2.3 -2,-0.2 5,-0.6 -0.967 6.5-163.6-117.7 109.0 29.7 26.4 50.8 78 96 A S T 45S+ 0 0 76 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.692 86.8 58.2 -70.3 -16.5 33.2 28.0 50.3 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.886 123.5 19.7 -81.3 -37.7 33.4 29.1 53.9 80 98 A T T 45S- 0 0 70 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.572 96.3-130.4-104.6 -13.7 33.0 25.6 55.4 81 99 A L T ><5 + 0 0 31 -4,-2.3 3,-0.7 1,-0.3 2,-0.3 0.650 50.0 159.1 69.7 23.6 34.0 23.6 52.3 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-1.9 1,-0.2 -1,-0.3 -0.572 65.7 16.5 -75.1 137.7 30.9 21.5 52.8 83 101 A N T 3 S+ 0 0 18 -2,-0.3 2,-1.9 -7,-0.2 -10,-0.3 0.913 79.8 176.3 64.5 47.7 29.8 19.7 49.5 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.506 33.3 112.3 -84.6 74.5 33.3 20.3 48.0 85 103 A I + 0 0 0 -2,-1.9 -12,-2.1 -47,-0.3 2,-0.3 -0.994 36.5 177.1-145.5 145.0 32.7 18.5 44.7 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.4 -2,-0.3 2,-0.3 -0.985 19.3-137.8-147.6 153.4 32.5 19.6 41.2 87 105 A L E -MO 36 71C 0 -16,-2.2 -16,-2.6 -2,-0.3 2,-0.4 -0.902 13.0-162.4-116.7 139.9 32.0 17.8 37.7 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.5 -2,-0.3 2,-0.4 -0.995 6.3-151.5-126.1 126.5 33.9 18.8 34.5 89 107 A K E -MO 34 69C 40 -20,-2.9 -21,-2.8 -2,-0.4 -20,-1.1 -0.825 17.8-129.9-101.3 140.3 32.8 17.7 31.1 90 108 A L E - 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