==== 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 17-MAY-95 1BTY . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.M.STROUD,B.A.KATZ,J.FINER-MOORE . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9176.0 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 . 14 6.3 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 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 131.2 35.5 20.5 19.1 2 17 A V B +A 171 0A 9 169,-3.1 169,-2.2 1,-0.2 123,-0.1 -0.913 360.0 5.8-109.6 131.9 37.8 19.8 16.1 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.714 101.4 120.7 70.5 27.5 39.4 22.7 14.3 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.119 56.1-115.8-101.8-162.1 38.3 25.3 16.8 5 20 A Y E -B 137 0B 100 132,-2.6 132,-2.9 -3,-0.1 2,-0.5 -0.894 35.3 -86.3-135.6 166.4 40.1 27.8 19.0 6 21 A T E -B 136 0B 70 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.638 36.2-150.6 -75.8 120.6 40.5 28.3 22.7 7 22 A a - 0 0 18 128,-1.6 -1,-0.2 -2,-0.5 129,-0.1 0.924 35.4-115.8 -58.2 -49.0 37.5 30.5 23.7 8 23 A G > - 0 0 25 127,-0.5 3,-1.7 -3,-0.1 4,-0.2 -0.044 47.7 -53.5 115.9 142.5 39.2 32.2 26.6 9 24 A A T 3 S- 0 0 52 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.193 118.0 -12.1 -54.2 128.3 38.1 31.9 30.3 10 25 A N T 3 S+ 0 0 25 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.700 90.6 126.1 52.7 32.4 34.4 32.6 30.9 11 26 A T S < S+ 0 0 83 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.519 75.7 50.0 -89.8 -5.4 33.8 34.2 27.5 12 27 A V S > S+ 0 0 7 -4,-0.2 3,-2.1 87,-0.1 -1,-0.2 -0.726 75.3 176.3-127.9 74.9 30.9 31.7 27.0 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.0 0, 0.0 38,-0.3 0.651 71.8 55.5 -68.1 -16.5 29.1 32.4 30.3 14 29 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.442 80.3 112.0 -94.2 -1.2 26.1 30.1 29.7 15 30 A Q E < -J 28 0C 9 -3,-2.1 36,-0.4 13,-0.2 37,-0.4 -0.554 46.6-174.2 -75.1 132.2 28.2 27.0 29.0 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.0 -2,-0.3 2,-0.4 -0.875 19.5-140.3-123.8 161.1 27.9 24.3 31.7 17 32 A S E -JK 26 49C 1 32,-2.4 32,-2.9 -2,-0.3 2,-0.6 -0.980 14.9-143.1-118.5 131.9 29.7 21.0 32.2 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.3 -2,-0.4 7,-1.0 -0.873 24.8-168.1 -98.0 122.9 27.5 18.0 33.4 19 34 A N E +JK 23 47C 20 28,-3.0 28,-2.3 -2,-0.6 4,-0.2 -0.944 31.1 169.3-119.1 133.0 29.7 16.0 35.8 20 37 A S S S- 0 0 33 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.365 97.4 -45.8-131.0 47.4 29.0 12.5 37.2 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.190 141.0 27.6 107.3 -15.3 32.6 12.1 38.7 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.937 102.6 -81.2-164.1 162.8 34.0 13.4 35.4 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.569 51.6 157.5 -73.9 130.8 32.8 15.7 32.6 24 41 A F E + 0 0 34 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.541 59.3 5.3-131.8 -15.8 30.5 13.7 30.2 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.978 61.0-125.0-163.8 162.2 28.4 16.4 28.4 26 43 A G E +J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.387 27.1 174.9-101.9-180.0 27.8 20.1 28.0 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.2 -2,-0.1 2,-0.4 -0.945 26.0-111.9-172.4 175.5 24.6 22.0 28.5 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.4 -2,-0.3 2,-0.6 -0.992 18.8-129.6-129.9 136.1 23.3 25.7 28.5 29 46 A L E + L 0 35C 1 -15,-2.1 74,-2.2 -2,-0.4 6,-0.2 -0.721 27.2 174.5 -82.2 120.3 22.1 27.7 31.4 30 47 A I E - 0 0 18 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.550 69.0 -12.2-104.6 -9.9 18.7 29.3 30.4 31 48 A N E > S- L 0 34C 46 3,-1.0 3,-0.8 70,-0.1 -1,-0.3 -0.915 91.6 -74.0-171.4 172.7 17.8 30.9 33.8 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.662 127.5 26.9 -56.2 -22.0 19.2 30.7 37.4 33 50 A Q T 3 S+ 0 0 61 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.390 109.9 71.3-122.9 3.5 17.7 27.2 38.1 34 51 A W E < -LM 31 89C 7 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.0 -0.973 47.2-174.7-130.9 140.8 17.4 25.4 34.7 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.6 -2,-0.4 2,-0.4 -0.944 13.4-149.8-124.3 144.8 19.8 23.9 32.2 36 53 A V E +LM 28 87C 1 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.2 -0.910 30.4 149.7-114.3 143.4 18.9 22.4 28.7 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.4 -2,-0.4 2,-0.3 -0.802 51.1 -64.7-151.3-168.3 21.1 19.6 27.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.692 34.3-131.6 -92.8 143.8 20.6 16.6 25.0 39 56 A A G > S+ 0 0 4 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.811 107.3 64.5 -64.1 -29.6 18.3 13.7 26.1 40 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.624 92.9 63.9 -71.9 -6.0 21.1 11.2 25.2 41 58 A b G < S+ 0 0 5 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.411 78.8 130.3 -92.5 -0.6 23.2 12.8 28.0 42 59 A Y < + 0 0 131 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.223 19.9 132.6 -61.4 143.5 20.7 11.6 30.6 43 60 A K - 0 0 58 3,-0.0 2,-0.3 0, 0.0 3,-0.2 -0.930 52.7 -97.7-173.3 168.1 21.8 9.7 33.6 44 61 A S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.693 95.9 40.2 -98.6 153.5 21.2 9.9 37.4 45 62 A G S S+ 0 0 68 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.946 73.6 168.3 76.1 51.6 23.6 11.7 39.8 46 63 A I - 0 0 9 -3,-0.2 21,-1.9 21,-0.1 2,-0.5 -0.816 21.0-166.2-102.0 137.9 24.4 14.8 37.8 47 64 A Q E -KN 19 66C 50 -28,-2.3 -28,-3.0 -2,-0.4 2,-0.5 -0.984 17.4-140.6-119.5 130.7 26.2 17.8 39.2 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.5 -2,-0.5 2,-0.6 -0.803 12.4-157.9 -94.9 131.0 26.1 20.9 37.0 49 65AA R E -KN 17 64C 50 -32,-2.9 -32,-2.4 -2,-0.5 3,-0.3 -0.954 13.6-178.6-116.8 116.6 29.3 22.8 36.9 50 66 A L E + N 0 63C 2 13,-2.7 13,-1.6 -2,-0.6 -34,-0.1 -0.646 59.4 34.6-107.1 163.4 29.0 26.5 35.9 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.699 83.0 151.1 64.3 24.1 31.7 29.2 35.5 52 70 A E + 0 0 12 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.560 23.8 152.3 -90.5 149.5 34.3 26.7 34.3 53 71 A D S S+ 0 0 17 1,-0.4 2,-0.7 4,-0.3 82,-0.2 0.296 83.7 31.0-131.0 -78.8 37.2 27.2 31.9 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.1 3,-0.2 -1,-0.4 -0.734 72.3-161.2 -83.2 112.5 39.7 24.4 32.9 55 73 A I T 3 S+ 0 0 31 78,-2.3 -1,-0.1 -2,-0.7 79,-0.1 0.552 88.3 52.7 -72.5 -5.3 37.5 21.5 34.2 56 74 A N T 3 S+ 0 0 122 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.391 105.7 56.6-107.9 -0.8 40.5 20.0 36.0 57 75 A V S < S- 0 0 76 -3,-1.1 2,-0.7 76,-0.2 -4,-0.3 -0.995 76.8-133.4-131.4 129.2 41.5 23.1 38.0 58 76 A V + 0 0 113 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.702 32.2 173.9 -78.9 115.9 39.3 25.2 40.4 59 77 A E - 0 0 99 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.517 52.5 -94.4-104.6 -5.4 40.2 28.6 39.1 60 78 A G S S+ 0 0 59 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.218 106.3 77.2 117.4 -20.5 37.8 30.7 41.2 61 79 A N + 0 0 59 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.331 65.1 121.2-108.4 10.8 34.6 31.2 39.2 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.404 38.0-172.6 -78.5 150.5 33.0 27.9 39.5 63 81 A Q E -N 50 0C 40 -13,-1.6 -13,-2.7 -2,-0.1 2,-0.6 -0.982 9.7-164.5-134.7 120.6 29.6 27.1 41.0 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.974 16.7 169.6-113.8 119.1 28.9 23.3 41.5 65 83 A I E -N 48 0C 15 -17,-2.5 -17,-3.1 -2,-0.6 2,-0.1 -0.993 28.4-127.8-131.7 136.6 25.2 22.6 42.0 66 84 A S E -N 47 0C 59 -2,-0.4 25,-2.8 -19,-0.2 26,-0.3 -0.456 28.9-109.3 -82.4 158.6 23.4 19.2 42.0 67 85 A A E -O 90 0C 27 -21,-1.9 23,-0.3 23,-0.2 3,-0.1 -0.652 19.4-164.2 -85.4 143.4 20.4 18.5 39.9 68 86 A S E S- 0 0 74 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.715 75.2 -6.5 -97.6 -34.1 17.0 18.2 41.7 69 87 A K E -O 89 0C 84 20,-1.2 20,-2.9 2,-0.0 -1,-0.4 -0.973 56.4-148.9-162.0 153.3 15.3 16.6 38.7 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.942 9.6-164.5-122.8 142.8 15.8 15.8 35.0 71 89 A I E -O 87 0C 37 16,-2.8 16,-2.4 -2,-0.4 2,-0.3 -0.960 6.3-157.7-133.3 111.6 13.0 15.8 32.4 72 90 A V E -O 86 0C 49 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.665 41.9 -87.6 -87.3 144.7 13.7 14.1 29.1 73 91 A H > - 0 0 21 12,-2.0 3,-1.9 -2,-0.3 -1,-0.1 -0.226 36.0-122.1 -50.2 134.3 11.4 15.2 26.2 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.771 110.2 41.5 -50.9 -31.0 8.2 13.1 26.1 75 93 A S T 3 S+ 0 0 72 8,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.102 77.4 144.5-108.0 23.2 8.9 12.0 22.5 76 94 A Y < - 0 0 59 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.427 30.5-164.6 -64.2 131.6 12.7 11.4 22.7 77 95 A N B >> -P 82 0D 65 5,-2.1 4,-2.8 -2,-0.1 5,-0.6 -0.949 6.9-165.4-119.6 104.1 13.6 8.4 20.5 78 96 A S T 45S+ 0 0 75 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.637 86.7 57.2 -68.5 -13.8 17.1 7.1 21.3 79 97 A N T 45S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.881 124.0 21.1 -84.5 -37.9 17.3 5.0 18.1 80 98 A T T 45S- 0 0 72 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.615 95.2-132.9-100.7 -16.8 16.7 8.0 15.8 81 99 A L T ><5 + 0 0 35 -4,-2.8 3,-0.8 1,-0.3 2,-0.2 0.633 49.9 157.0 70.8 19.7 17.8 10.8 18.2 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-2.1 1,-0.2 -1,-0.3 -0.602 66.9 17.5 -75.0 138.2 14.6 12.7 17.2 83 101 A N T 3 S+ 0 0 20 -2,-0.2 2,-1.9 -7,-0.2 -1,-0.2 0.877 80.7 176.2 64.5 46.7 13.6 15.2 20.1 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.524 34.2 109.9 -82.4 76.2 17.1 15.0 21.6 85 103 A I + 0 0 0 -2,-1.9 -12,-2.0 -47,-0.3 2,-0.3 -0.994 38.6 179.7-150.4 144.5 16.6 17.5 24.4 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.4 -2,-0.3 2,-0.4 -0.983 18.9-137.4-146.5 153.0 16.3 17.4 28.2 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.8 -2,-0.3 2,-0.4 -0.901 12.9-163.6-113.1 138.8 15.8 19.9 31.0 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.4 -2,-0.4 2,-0.4 -0.996 7.4-152.7-124.2 122.5 17.7 19.8 34.3 89 107 A K E -MO 34 69C 41 -20,-2.9 -21,-3.0 -2,-0.4 -20,-1.2 -0.802 18.9-130.6 -96.7 137.0 16.4 21.7 37.4 90 108 A L E - 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