==== 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 1C1Q . 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) . 9140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 58.7 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 . 12 5.4 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 128.7 51.7 14.3 49.2 2 17 A V B +A 171 0A 7 169,-2.7 169,-1.8 1,-0.2 123,-0.1 -0.917 360.0 7.9-109.6 132.7 54.1 14.3 52.2 3 18 A G S S+ 0 0 50 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.693 102.5 118.3 71.4 23.9 55.7 11.0 53.2 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.171 57.5-117.1-103.1-164.2 54.5 9.1 50.1 5 20 A Y E -B 137 0B 92 132,-2.6 132,-3.0 -2,-0.1 2,-0.4 -0.907 33.6 -84.8-136.4 165.6 56.3 7.5 47.3 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.582 36.8-150.6 -72.7 124.6 56.6 7.8 43.5 7 22 A a - 0 0 19 128,-1.9 -1,-0.2 -2,-0.4 2,-0.1 0.926 35.9-114.8 -59.7 -51.5 53.7 5.9 42.0 8 23 A G > - 0 0 26 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.140 47.9 -52.3 119.1 146.9 55.3 5.0 38.9 9 24 A A T 3 S- 0 0 59 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.281 119.6 -13.0 -56.2 125.5 54.3 6.2 35.4 10 25 A N T 3 S+ 0 0 33 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.725 90.5 128.0 51.7 36.4 50.7 5.7 34.6 11 26 A T S < S+ 0 0 78 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.549 77.4 47.7 -90.0 -8.8 50.1 3.3 37.6 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.681 75.3 173.5-127.0 73.3 47.1 5.6 38.7 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.634 70.5 57.1 -67.6 -15.0 45.5 5.8 35.2 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.439 81.2 111.0 -93.1 -3.7 42.3 7.7 36.4 15 30 A Q E < -J 28 0C 6 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.563 48.5-170.4 -76.4 134.4 44.3 10.6 37.9 16 31 A V E -J 27 0C 1 11,-2.4 11,-1.2 -2,-0.3 2,-0.5 -0.881 18.3-143.1-124.5 156.3 44.0 13.9 36.1 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.8 -2,-0.3 2,-0.5 -0.980 15.5-145.9-117.6 128.8 45.9 17.2 36.4 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.3 -2,-0.5 7,-1.1 -0.861 23.0-168.1 -98.1 127.2 43.7 20.3 35.9 19 34 A N E +JK 23 47C 22 28,-3.0 28,-1.9 -2,-0.5 4,-0.2 -0.967 31.4 172.4-123.4 131.7 45.8 23.0 34.2 20 37 A S S S- 0 0 34 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.335 97.4 -46.8-128.9 47.2 45.1 26.7 33.6 21 38 A G S S+ 0 0 70 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.263 141.2 29.5 105.5 -7.4 48.7 27.4 32.3 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.917 103.0 -83.0-168.0 160.4 50.1 25.4 35.2 23 40 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.594 50.9 158.2 -75.0 129.6 48.9 22.5 37.3 24 41 A F E + 0 0 31 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.544 59.7 8.4-129.3 -17.3 46.6 23.7 40.1 25 42 A b E -J 18 0C 6 -7,-1.1 -7,-3.0 151,-0.1 -1,-0.4 -0.986 61.7-124.5-159.7 162.9 44.5 20.7 41.1 26 43 A G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.447 27.7 177.7-101.6 176.1 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 -0.942 24.1-117.4-166.5 174.8 40.8 15.2 39.5 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.3 -2,-0.3 2,-0.5 -0.990 19.0-130.1-129.9 137.3 39.5 11.7 38.7 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.4 -2,-0.4 6,-0.2 -0.759 25.3 176.7 -85.7 123.9 38.2 10.5 35.3 30 47 A I E - 0 0 18 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.596 69.1 -16.3-104.1 -13.7 34.8 8.7 35.9 31 48 A N E > S- L 0 34C 50 3,-1.1 3,-1.0 70,-0.1 -1,-0.4 -0.916 89.5 -74.1-172.0 172.2 34.1 8.0 32.2 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.656 128.5 33.0 -55.5 -20.9 35.4 9.2 28.8 33 50 A Q T 3 S+ 0 0 77 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.497 110.1 65.7-113.6 -6.7 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,-1.1 -0.959 45.8-175.2-132.0 145.3 33.6 13.4 32.7 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.6 -2,-0.4 2,-0.4 -0.950 13.6-150.4-127.2 144.1 35.9 14.3 35.6 36 53 A V E +LM 28 87C 1 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.2 -0.936 29.7 149.1-116.6 140.2 35.2 14.9 39.2 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.1 -2,-0.4 2,-0.3 -0.741 50.8 -65.6-147.0-165.3 37.3 17.2 41.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.707 33.4-131.1 -95.9 146.1 36.8 19.5 44.3 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.857 107.4 63.6 -64.8 -32.7 34.5 22.6 44.0 40 57 A H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.623 93.9 64.0 -69.5 -6.8 37.3 24.8 45.6 41 58 A b G < S+ 0 0 3 -3,-1.5 -1,-0.3 -15,-0.0 -2,-0.2 0.367 76.5 134.1 -91.8 2.5 39.4 23.9 42.5 42 59 A Y < + 0 0 125 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.320 20.7 148.1 -58.4 135.5 36.8 25.8 40.3 43 60 A K - 0 0 57 3,-0.0 2,-0.3 0, 0.0 3,-0.2 -0.930 47.5-114.3-159.6 156.3 38.3 28.2 37.7 44 61 A S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.692 95.6 38.8 -93.8 151.4 37.2 29.3 34.3 45 62 A G S S+ 0 0 68 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.977 74.6 168.1 74.9 56.6 39.5 28.1 31.4 46 63 A I - 0 0 10 -3,-0.2 21,-2.1 21,-0.1 2,-0.4 -0.844 22.3-164.0-107.2 141.7 40.6 24.6 32.5 47 64 A Q E -KN 19 66C 49 -28,-1.9 -28,-3.0 -2,-0.4 2,-0.5 -0.974 18.3-140.9-121.1 133.7 42.4 22.1 30.3 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.8 -2,-0.4 2,-0.6 -0.835 11.8-156.8 -98.8 132.5 42.3 18.5 31.7 49 66 A R E -KN 17 64C 51 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.965 12.7-175.9-119.4 116.8 45.5 16.6 31.2 50 67 A L E + N 0 63C 3 13,-3.0 13,-1.7 -2,-0.6 -34,-0.1 -0.664 60.4 31.1-105.7 159.8 45.2 12.8 31.2 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.726 83.1 152.6 62.4 29.5 48.0 10.1 31.1 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.583 23.0 153.2 -90.5 149.9 50.5 12.2 32.9 53 71 A D S S+ 0 0 16 1,-0.5 2,-0.7 4,-0.3 82,-0.2 0.307 82.1 29.9-134.1 -76.6 53.3 11.2 35.0 54 72 A N S > S- 0 0 28 3,-0.2 3,-1.0 80,-0.2 -1,-0.5 -0.762 73.3-160.2 -85.4 117.3 55.9 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 87.6 53.8 -78.5 -1.4 53.7 17.2 34.3 56 74 A N T 3 S+ 0 0 118 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.362 104.9 58.1-108.7 0.5 56.6 19.2 32.9 57 75 A V S < S- 0 0 69 -3,-1.0 2,-1.0 76,-0.2 -4,-0.3 -0.994 76.2-134.2-134.2 129.5 57.7 16.7 30.3 58 76 A V + 0 0 111 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.711 30.1 175.8 -81.9 105.4 55.5 15.4 27.4 59 77 A E - 0 0 98 -2,-1.0 -1,-0.2 -5,-0.2 -4,-0.0 0.475 52.7 -98.6 -91.1 -4.9 56.4 11.7 27.7 60 78 A G S S+ 0 0 57 -3,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.198 105.3 81.0 108.7 -16.3 54.1 10.5 25.0 61 79 A N + 0 0 50 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.345 64.5 116.1-107.4 12.3 51.0 9.2 26.9 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.426 41.8-168.2 -83.1 155.3 49.2 12.5 27.5 63 81 A Q E -N 50 0C 37 -13,-1.7 -13,-3.0 -2,-0.1 2,-0.6 -0.984 9.0-163.5-137.0 122.4 45.8 13.6 26.2 64 82 A F E +N 49 0C 73 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.967 17.2 171.4-112.9 115.9 45.1 17.4 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 28.5-126.5-130.5 133.7 41.4 18.2 26.4 66 84 A S E -N 47 0C 56 -2,-0.4 25,-3.0 -19,-0.2 26,-0.4 -0.426 28.0-112.6 -76.4 155.4 39.6 21.5 27.3 67 85 A A E -O 90 0C 22 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.639 20.1-165.8 -85.8 143.8 36.6 21.5 29.5 68 86 A S E S- 0 0 65 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.714 73.7 -0.7 -99.2 -31.1 33.3 22.4 27.9 69 87 A K E -O 89 0C 86 20,-1.1 20,-2.9 2,-0.0 -1,-0.4 -0.982 56.4-153.5-159.5 154.0 31.5 22.9 31.2 70 88 A S E -O 88 0C 43 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.965 8.0-165.7-129.8 143.2 32.0 22.8 34.9 71 89 A I E -O 87 0C 36 16,-2.6 16,-2.3 -2,-0.4 2,-0.3 -0.950 5.9-158.9-135.0 109.1 29.3 22.2 37.5 72 90 A V E -O 86 0C 49 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.643 43.0 -86.9 -85.8 144.9 30.0 23.0 41.2 73 91 A H > - 0 0 20 12,-2.2 3,-1.8 -2,-0.3 -1,-0.1 -0.225 36.1-123.4 -50.6 135.4 27.7 21.2 43.6 74 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.775 109.8 42.1 -53.6 -29.5 24.4 23.2 44.2 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.140 77.9 141.7-107.8 21.8 25.1 23.3 48.0 76 94 A Y < - 0 0 57 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.438 33.1-162.7 -65.1 132.8 28.9 24.0 48.0 77 95 A N B >> -P 82 0D 66 5,-2.0 4,-2.4 -2,-0.2 5,-0.6 -0.956 7.6-164.2-118.8 106.5 29.8 26.4 50.9 78 96 A S T 45S+ 0 0 78 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.655 86.6 60.1 -68.8 -13.4 33.2 27.9 50.4 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.867 123.6 16.9 -83.3 -35.3 33.3 29.0 53.9 80 98 A T T 45S- 0 0 71 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.1 0.536 96.2-129.1-108.8 -13.1 33.0 25.5 55.5 81 99 A L T ><5 + 0 0 30 -4,-2.4 3,-0.7 1,-0.3 2,-0.2 0.667 50.2 159.8 68.6 25.8 33.9 23.5 52.4 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-2.0 1,-0.2 -1,-0.3 -0.555 65.7 18.1 -75.4 140.0 30.8 21.4 52.9 83 101 A N T 3 S+ 0 0 17 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.2 0.908 80.9 178.2 64.0 47.6 29.8 19.7 49.6 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.490 33.8 108.7 -83.5 76.2 33.3 20.2 48.1 85 103 A I + 0 0 0 -2,-2.0 -12,-2.2 -47,-0.3 2,-0.3 -0.993 37.7 178.2-149.1 148.2 32.8 18.5 44.8 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.6 -2,-0.3 2,-0.4 -0.978 19.2-137.0-150.0 154.7 32.4 19.6 41.1 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-2.6 -2,-0.3 2,-0.4 -0.911 13.4-163.5-116.2 139.6 32.0 17.8 37.7 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.4 -2,-0.4 2,-0.4 -0.996 8.0-149.8-126.5 127.1 33.9 18.9 34.6 89 107 A K E -MO 34 69C 40 -20,-2.9 -21,-2.7 -2,-0.4 -20,-1.1 -0.819 18.0-129.2 -99.9 139.9 32.8 17.7 31.1 90 108 A L E - 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