==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAR-03 1O35 . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,K.ELROD,E.VERNER,R.L.MACKMAN,C.LUONG,W.D.SHRADER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9234.0 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 . 67 30.0 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 . 15 6.7 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 . 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 . 2 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 125.5 52.8 -3.6 25.5 2 17 A V B +A 171 0A 10 169,-2.8 169,-2.1 1,-0.2 123,-0.1 -0.897 360.0 8.5-106.2 132.3 52.7 -7.3 24.5 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.675 102.6 120.9 73.6 21.7 54.9 -8.4 21.4 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.126 55.9-118.3-101.0-161.6 56.6 -5.0 21.2 5 20 A Y E -B 137 0B 89 132,-2.5 132,-3.1 -3,-0.1 2,-0.4 -0.917 34.3 -85.8-137.4 163.9 60.3 -3.9 21.4 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.556 36.9-148.4 -70.0 122.1 62.4 -1.7 23.6 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.4 129,-0.1 0.924 35.3-113.2 -60.7 -46.2 62.0 1.8 22.2 8 23 A G > - 0 0 28 127,-0.5 3,-1.6 -3,-0.1 4,-0.3 -0.043 49.6 -57.4 117.3 140.6 65.4 3.1 23.1 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.243 117.6 -10.5 -56.1 126.5 65.9 5.9 25.7 10 25 A N T 3 S+ 0 0 34 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.659 90.5 125.8 57.4 26.5 64.1 9.1 24.9 11 26 A T S < S+ 0 0 81 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.573 76.9 48.3 -85.4 -7.6 63.2 8.1 21.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.691 74.0 173.2-128.6 74.7 59.4 8.9 22.2 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.608 71.7 57.2 -67.9 -13.9 60.0 12.3 23.8 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.459 81.0 109.2 -95.3 -3.3 56.2 13.1 24.1 15 30 A Q E < -J 28 0C 7 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.568 47.7-174.6 -75.0 131.2 55.5 10.0 26.3 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.1 -2,-0.3 2,-0.4 -0.869 19.5-139.2-124.8 162.4 54.7 10.7 29.9 17 32 A S E -JK 26 49C 0 32,-2.1 32,-2.8 -2,-0.3 2,-0.6 -0.971 14.1-142.8-116.7 131.2 54.2 8.4 32.9 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.4 -2,-0.4 7,-1.0 -0.866 28.5-169.3 -98.1 127.9 51.4 9.4 35.4 19 34 A N E +JK 23 47C 16 28,-2.7 28,-2.1 -2,-0.6 4,-0.2 -0.962 35.3 166.9-125.3 135.0 52.6 8.5 38.9 20 37 A S S S- 0 0 38 2,-1.9 3,-0.1 -2,-0.4 26,-0.1 -0.382 97.1 -47.7-134.3 48.1 51.0 8.2 42.4 21 38 A G S S+ 0 0 73 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.436 139.8 33.2 98.6 -3.3 53.9 6.3 44.1 22 39 A Y S S- 0 0 128 -4,-0.0 -2,-1.9 0, 0.0 2,-0.4 -0.931 101.5 -86.9-171.3 159.7 54.0 3.9 41.1 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.658 49.6 160.6 -76.9 126.9 53.3 4.2 37.3 24 41 A F E + 0 0 30 -6,-2.4 2,-0.3 -2,-0.4 151,-0.2 0.566 59.7 2.9-125.4 -16.5 49.5 3.7 36.7 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.986 61.5-125.2-162.0 165.0 48.9 5.2 33.2 26 43 A G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.433 26.3 176.8-105.0-178.8 50.6 6.8 30.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.966 24.7-115.2-172.3 174.0 49.9 10.2 28.6 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.4 -2,-0.3 2,-0.5 -0.988 18.8-130.6-128.7 135.0 51.2 12.5 25.8 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.1 -2,-0.4 6,-0.2 -0.737 27.0 174.3 -82.1 121.1 52.6 16.0 26.1 30 47 A I E - 0 0 18 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.574 69.9 -8.2-106.6 -13.7 50.8 18.3 23.6 31 48 A N E > S- L 0 34C 49 3,-1.2 3,-0.7 70,-0.1 -1,-0.3 -0.930 92.0 -79.2-162.0 178.7 52.4 21.7 24.7 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.670 127.3 32.6 -68.6 -10.4 54.7 22.7 27.6 33 50 A Q T 3 S+ 0 0 61 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.442 109.7 65.7-121.7 -0.5 51.9 22.9 30.1 34 51 A W E < -LM 31 89C 10 -3,-0.7 -4,-2.2 55,-0.2 -3,-1.2 -0.969 47.6-171.8-133.2 145.4 49.3 20.2 29.0 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.8 -2,-0.4 2,-0.4 -0.936 14.6-145.8-125.6 145.9 49.1 16.4 28.8 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.2 -2,-0.3 2,-0.2 -0.934 33.0 148.1-113.7 136.1 46.3 14.3 27.2 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.4 2,-0.3 -0.731 50.1 -68.2-145.6-165.0 45.5 10.9 28.7 38 55 A A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.3 47,-0.3 -0.755 32.9-130.2 -98.8 143.0 42.4 8.7 29.2 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.858 106.8 62.8 -59.4 -35.8 39.5 9.8 31.5 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.520 92.2 65.4 -71.8 0.2 39.6 6.3 33.2 41 58 A b G < S+ 0 0 5 -3,-2.0 -1,-0.3 -15,-0.1 -2,-0.2 0.376 76.9 129.0 -96.3 0.4 43.1 7.1 34.4 42 59 A Y < + 0 0 123 -3,-1.9 2,-0.3 -4,-0.2 -3,-0.0 -0.305 19.7 132.3 -59.8 134.4 41.7 9.9 36.6 43 60 A K - 0 0 57 -2,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.933 53.4-104.9-165.7 168.1 42.7 10.0 40.3 44 61 A S S S+ 0 0 95 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.608 95.3 51.8 -99.9 169.5 43.9 12.8 42.5 45 62 A G S S+ 0 0 65 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.878 72.7 166.5 77.2 39.4 47.6 13.1 43.6 46 63 A I - 0 0 11 -3,-0.2 21,-2.2 21,-0.1 2,-0.5 -0.746 20.6-171.1 -94.7 134.0 49.0 12.8 40.1 47 64 A Q E -KN 19 66C 53 -28,-2.1 -28,-2.7 -2,-0.4 2,-0.5 -0.980 18.7-142.1-116.2 129.8 52.7 13.6 39.5 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.7 -2,-0.5 2,-0.6 -0.826 12.0-156.3 -95.5 129.3 53.5 13.7 35.7 49 65AA R E -KN 17 64C 50 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.940 12.9-175.1-115.2 116.6 56.9 12.2 34.9 50 66 A L E + N 0 63C 2 13,-2.9 13,-1.7 -2,-0.6 -34,-0.1 -0.653 60.3 29.9-104.3 159.2 58.5 13.4 31.6 51 69 A G S S+ 0 0 6 -36,-0.4 -1,-0.2 -38,-0.3 2,-0.2 0.703 83.4 152.2 64.5 25.3 61.8 12.3 30.0 52 70 A E + 0 0 12 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.493 24.0 153.0 -88.5 154.9 61.6 8.8 31.4 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.223 83.2 32.2-136.5 -80.3 63.0 5.6 30.0 54 72 A N S > S- 0 0 22 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.709 72.6-163.5 -81.4 111.6 63.6 3.3 33.1 55 73 A I T 3 S+ 0 0 28 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.521 85.9 53.7 -76.4 -2.1 60.8 4.5 35.5 56 74 A N T 3 S+ 0 0 116 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.406 106.3 55.8-109.0 -1.9 62.5 2.8 38.5 57 75 A V S < S- 0 0 71 -3,-1.1 2,-1.0 76,-0.2 -4,-0.3 -0.996 75.9-134.2-131.4 133.2 65.9 4.6 38.1 58 76 A V + 0 0 114 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.741 37.6 164.6 -84.5 108.1 66.6 8.4 37.9 59 77 A E - 0 0 103 -2,-1.0 -1,-0.2 1,-0.3 2,-0.1 0.521 55.4 -86.7-104.2 -9.3 69.0 8.2 34.8 60 78 A G S S+ 0 0 36 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.147 104.8 65.1 112.1 150.9 68.9 11.9 33.9 61 79 A N + 0 0 67 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.176 69.3 131.6 87.4 -11.1 66.4 13.9 31.7 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 -11,-0.0 -1,-0.3 -0.433 35.9-172.0 -72.9 147.6 63.5 13.2 34.0 63 81 A Q E -N 50 0C 34 -13,-1.7 -13,-2.9 -3,-0.1 2,-0.6 -0.985 6.8-161.9-136.0 120.3 61.3 16.2 34.9 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.940 17.6 171.7-107.8 119.3 58.7 15.4 37.7 65 83 A I E -N 48 0C 20 -17,-2.7 -17,-3.1 -2,-0.6 2,-0.1 -0.990 29.6-123.7-131.7 134.7 55.9 18.0 37.7 66 84 A S E -N 47 0C 48 -2,-0.4 25,-2.7 -19,-0.2 2,-0.3 -0.430 28.9-112.3 -74.9 153.6 52.6 17.8 39.7 67 85 A A E -O 90 0C 21 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.664 20.7-163.0 -80.9 137.1 49.3 18.1 37.9 68 86 A S E S- 0 0 77 21,-3.3 2,-0.3 1,-0.4 22,-0.2 0.831 75.0 -11.6 -90.6 -38.5 47.6 21.4 38.8 69 87 A K E -O 89 0C 89 20,-1.2 20,-2.8 2,-0.0 2,-0.4 -0.985 57.1-146.6-157.8 152.9 44.2 20.1 37.5 70 88 A S E -O 88 0C 31 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.978 13.1-157.6-122.5 135.3 42.8 17.2 35.5 71 89 A I E -O 87 0C 33 16,-3.1 16,-2.3 -2,-0.4 2,-0.2 -0.918 5.3-161.4-120.3 101.5 39.8 17.8 33.2 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.571 39.9 -93.4 -78.5 141.3 37.9 14.6 32.4 73 91 A H > - 0 0 23 12,-2.0 3,-2.0 10,-0.3 -1,-0.1 -0.334 33.6-129.0 -55.9 131.6 35.6 15.0 29.3 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.759 107.3 47.8 -56.5 -26.5 32.1 16.1 30.7 75 93 A S T 3 S+ 0 0 78 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.151 77.4 138.5-102.8 18.1 30.4 13.3 28.6 76 94 A Y < - 0 0 56 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.456 38.8-158.2 -62.9 132.4 32.8 10.5 29.7 77 95 A N > - 0 0 65 5,-2.0 4,-2.4 -2,-0.2 5,-0.5 -0.956 6.4-161.3-114.2 111.5 30.7 7.3 30.3 78 96 A S T 4 S+ 0 0 81 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.657 88.0 55.0 -71.7 -10.7 32.7 4.9 32.6 79 97 A N T 4 S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.866 124.0 21.7 -89.8 -38.1 30.5 1.9 31.6 80 98 A T T 4 S- 0 0 69 2,-0.1 -2,-0.2 -3,-0.1 77,-0.1 0.640 94.8-133.4-101.3 -14.9 31.0 2.2 27.8 81 99 A L >< + 0 0 31 -4,-2.4 3,-0.8 1,-0.3 2,-0.2 0.676 48.6 159.0 68.5 21.6 34.3 4.2 28.0 82 100 A N T 3 + 0 0 37 -5,-0.5 -5,-2.0 1,-0.2 -1,-0.3 -0.561 66.4 18.7 -72.5 142.2 32.8 6.5 25.3 83 101 A N T 3 S+ 0 0 20 -7,-0.2 2,-2.0 -2,-0.2 -10,-0.3 0.901 80.2 173.9 62.8 46.1 34.7 10.0 25.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.502 32.8 113.3 -84.4 76.5 37.6 8.4 27.3 85 103 A I + 0 0 0 -2,-2.0 -12,-2.0 -47,-0.3 2,-0.3 -0.994 37.9 179.7-146.2 146.5 39.9 11.5 27.2 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.993 17.9-143.2-146.8 145.9 41.2 13.8 29.9 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-3.1 -2,-0.3 2,-0.4 -0.890 13.2-159.9-110.2 142.2 43.5 16.8 29.8 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.3 -2,-0.4 2,-0.5 -0.990 5.8-151.2-123.5 130.1 46.0 17.4 32.7 89 107 A K E -MO 34 69C 47 -20,-2.8 -21,-3.3 -2,-0.4 -20,-1.2 -0.861 19.0-131.1-100.7 133.7 47.4 20.9 33.3 90 108 A L E - 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