==== 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 1O3A . 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) . 9134.0 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 . 69 30.9 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 . 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 0 1 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 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, 0.0 171,-0.2 0.000 360.0 360.0 360.0 134.5 52.8 -3.6 25.4 2 17 A V B +A 171 0A 9 169,-2.8 169,-1.9 1,-0.2 123,-0.1 -0.955 360.0 9.7-113.8 131.2 52.8 -7.3 24.4 3 18 A G S S+ 0 0 46 -2,-0.4 -1,-0.2 121,-0.4 2,-0.1 0.633 101.9 119.7 77.6 18.6 54.9 -8.3 21.4 4 19 A G - 0 0 32 -3,-0.2 2,-0.3 167,-0.1 134,-0.2 -0.243 56.0-119.8-101.6-167.2 56.6 -5.0 21.1 5 20 A Y E -B 137 0B 91 132,-2.2 132,-3.0 -2,-0.1 2,-0.5 -0.849 35.5 -82.7-131.0 166.6 60.3 -3.9 21.3 6 21 A T E -B 136 0B 70 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.557 35.5-146.6 -72.0 118.8 62.4 -1.6 23.5 7 22 A a - 0 0 17 128,-1.4 -1,-0.2 -2,-0.5 129,-0.1 0.887 35.8-115.9 -55.0 -43.8 61.9 1.9 22.2 8 23 A G > - 0 0 29 127,-0.4 3,-1.6 4,-0.0 4,-0.2 0.051 51.5 -52.5 110.9 137.6 65.4 3.1 23.0 9 24 A A T 3 S- 0 0 60 1,-0.2 44,-0.1 2,-0.1 43,-0.0 -0.189 118.4 -13.0 -52.0 126.2 65.9 5.9 25.5 10 25 A N T 3 S+ 0 0 36 42,-0.4 -1,-0.2 2,-0.1 43,-0.1 0.650 89.1 129.6 54.4 29.7 64.0 9.0 24.9 11 26 A T S < S+ 0 0 78 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.504 77.0 47.0 -84.9 -5.6 63.0 8.1 21.3 12 27 A V S > S+ 0 0 8 -4,-0.2 3,-1.7 87,-0.1 -1,-0.3 -0.705 73.7 171.1-131.9 70.8 59.4 8.9 22.2 13 28 A P T 3 S+ 0 0 29 0, 0.0 88,-0.9 0, 0.0 38,-0.3 0.562 70.9 61.3 -69.7 -5.9 59.9 12.3 23.9 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.8 88,-0.1 2,-0.2 0.552 80.3 106.2 -97.1 -7.0 56.2 13.1 24.1 15 30 A Q E < -J 28 0C 7 -3,-1.7 36,-0.4 13,-0.2 37,-0.4 -0.534 49.1-172.6 -73.5 131.4 55.4 10.0 26.3 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.8 -2,-0.2 2,-0.4 -0.883 18.8-140.8-124.5 159.2 54.7 10.7 30.0 17 32 A S E -JK 26 49C 0 32,-2.2 32,-3.2 -2,-0.3 2,-0.5 -0.905 17.4-141.6-113.4 140.0 54.2 8.3 32.9 18 33 A L E -JK 25 48C 0 7,-2.2 6,-2.0 -2,-0.4 7,-0.8 -0.927 27.2-165.4-103.9 127.5 51.5 9.4 35.4 19 34 A N E +JK 23 47C 18 28,-3.2 28,-1.9 -2,-0.5 4,-0.2 -0.975 35.0 163.8-125.7 135.5 52.7 8.6 38.9 20 37 A S S S- 0 0 36 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.348 97.7 -45.5-137.5 46.4 51.0 8.3 42.3 21 38 A G S S+ 0 0 74 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 0.188 140.0 25.1 107.7 -15.3 53.8 6.3 44.1 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.3 0, 0.0 2,-0.4 -0.910 100.6 -82.6-161.0 175.1 54.0 4.0 41.1 23 40 A H E +J 19 0C 27 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.713 48.2 160.3 -87.3 131.8 53.2 4.3 37.3 24 41 A F E + 0 0 34 -6,-2.0 2,-0.3 1,-0.5 151,-0.2 0.589 62.2 1.5-131.3 -13.8 49.5 3.7 36.6 25 42 A b E -J 18 0C 7 -7,-0.8 -7,-2.2 151,-0.1 -1,-0.5 -0.965 62.7-129.3-161.5 169.1 48.9 5.2 33.1 26 43 A G E -J 17 0C 1 151,-2.4 12,-0.3 -2,-0.3 2,-0.3 -0.618 24.7-179.4-117.9 179.9 50.8 6.9 30.4 27 44 A G E -J 16 0C 0 -11,-1.8 -11,-2.4 -2,-0.2 2,-0.4 -0.959 23.2-108.2-165.4-179.7 49.9 10.1 28.6 28 45 A S E -JL 15 36C 2 8,-2.5 8,-2.3 -2,-0.3 2,-0.6 -0.990 16.7-133.9-128.9 135.3 51.1 12.5 25.9 29 46 A L E + L 0 35C 0 -15,-2.8 74,-1.3 -2,-0.4 6,-0.3 -0.724 27.1 170.9 -83.7 119.1 52.6 15.9 26.1 30 47 A I E - 0 0 18 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.627 69.1 -4.8-105.4 -11.6 50.9 18.1 23.5 31 48 A N E > S- L 0 34C 47 3,-1.3 3,-0.8 70,-0.1 -1,-0.2 -0.892 91.8 -79.2-161.0 176.6 52.4 21.6 24.6 32 49 A S T 3 S+ 0 0 47 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.661 126.7 26.5 -64.6 -18.7 54.7 22.7 27.4 33 50 A Q T 3 S+ 0 0 58 60,-0.2 57,-2.1 1,-0.1 2,-0.4 0.275 111.7 70.7-125.9 10.7 52.0 22.8 30.1 34 51 A W E < -LM 31 89C 7 -3,-0.8 -4,-2.2 55,-0.2 -3,-1.3 -0.999 47.8-175.0-139.6 139.4 49.3 20.2 28.9 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.7 -2,-0.4 2,-0.4 -0.850 15.7-144.5-120.7 150.1 49.2 16.4 28.6 36 53 A V E +LM 28 87C 1 -8,-2.3 -8,-2.5 -2,-0.3 2,-0.2 -0.980 32.4 148.8-122.6 133.4 46.4 14.3 27.2 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.8 -2,-0.4 2,-0.3 -0.677 47.6 -71.4-141.9-165.8 45.5 11.0 28.7 38 55 A A > - 0 0 0 -12,-0.3 3,-1.9 47,-0.3 47,-0.3 -0.766 33.2-125.7-101.0 140.9 42.5 8.8 29.1 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.6 1,-0.3 45,-0.1 0.774 106.5 60.3 -57.8 -32.2 39.6 9.5 31.4 40 57 A H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.603 92.3 69.1 -79.0 -0.1 39.7 6.3 33.3 41 58 A b G < S+ 0 0 4 -3,-1.9 -1,-0.3 -15,-0.0 -2,-0.2 0.343 77.3 129.6 -93.6 14.0 43.2 7.1 34.4 42 59 A Y < + 0 0 128 -3,-1.6 2,-0.3 -4,-0.0 -3,-0.0 -0.406 19.5 125.0 -74.4 142.4 41.8 9.9 36.6 43 60 A K - 0 0 57 -2,-0.1 2,-0.3 3,-0.0 3,-0.2 -0.944 55.4 -99.6-172.1 177.2 42.7 10.3 40.2 44 61 A S S S+ 0 0 98 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.781 96.3 51.4-110.0 158.6 44.1 12.9 42.5 45 62 A G S S+ 0 0 61 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.885 71.8 162.3 83.1 41.1 47.7 13.0 43.4 46 63 A I - 0 0 10 -3,-0.2 21,-2.3 21,-0.1 2,-0.4 -0.833 19.9-173.4-101.2 132.2 49.1 12.7 39.9 47 64 A Q E -KN 19 66C 54 -28,-1.9 -28,-3.2 -2,-0.5 2,-0.5 -0.930 19.6-140.6-116.2 139.3 52.7 13.7 39.3 48 65 A V E -KN 18 65C 0 17,-3.7 17,-2.8 -2,-0.4 2,-0.5 -0.920 12.7-156.7-105.2 129.9 53.5 13.7 35.6 49 65AA R E -KN 17 64C 50 -32,-3.2 -32,-2.2 -2,-0.5 15,-0.2 -0.972 13.7-174.8-115.5 118.9 57.0 12.3 34.9 50 66 A L E + N 0 63C 0 13,-2.9 13,-1.5 -2,-0.5 -34,-0.1 -0.647 58.8 31.4-108.3 159.9 58.6 13.4 31.6 51 69 A G S S+ 0 0 6 -36,-0.4 -1,-0.1 -38,-0.3 2,-0.1 0.724 86.0 149.0 65.6 23.4 61.9 12.4 29.9 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.2 -1,-0.2 -0.416 25.8 151.3 -89.2 165.7 61.7 8.9 31.2 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.2 -1,-0.1 0.085 81.7 37.1-151.8 -78.1 62.9 5.5 30.0 54 72 A N S > S- 0 0 23 80,-0.2 3,-0.7 1,-0.1 -1,-0.4 -0.761 74.3-161.7 -80.7 113.4 63.6 3.2 33.0 55 73 A I T 3 S+ 0 0 26 78,-2.4 -1,-0.1 -2,-0.8 79,-0.1 0.484 84.7 52.7 -78.1 3.6 60.8 4.4 35.4 56 74 A N T 3 S+ 0 0 114 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.493 104.4 56.5-111.0 -9.5 62.6 2.9 38.5 57 75 A V S < S- 0 0 71 -3,-0.7 2,-0.7 76,-0.1 -4,-0.2 -0.941 77.0-130.7-120.1 144.9 66.0 4.6 38.1 58 76 A V + 0 0 117 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.873 37.7 163.5 -95.8 118.2 66.8 8.3 37.8 59 77 A E - 0 0 112 -2,-0.7 -1,-0.2 1,-0.3 2,-0.1 0.558 54.1 -89.6-109.0 -16.8 69.1 8.4 34.7 60 78 A G S S+ 0 0 33 -9,-0.0 -1,-0.3 3,-0.0 3,-0.1 -0.214 100.9 67.1 115.2 153.9 69.0 12.1 33.9 61 79 A N + 0 0 64 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.205 69.2 130.7 88.9 -9.6 66.5 14.0 31.6 62 80 A E - 0 0 33 -11,-0.1 2,-0.4 -13,-0.0 -1,-0.3 -0.460 35.8-173.5 -75.7 146.7 63.6 13.5 33.8 63 81 A Q E -N 50 0C 37 -13,-1.5 -13,-2.9 -2,-0.1 2,-0.5 -0.978 7.9-161.7-135.5 131.6 61.4 16.3 34.9 64 82 A F E +N 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.990 17.1 171.9-118.6 124.9 58.7 15.5 37.5 65 83 A I E -N 48 0C 22 -17,-2.8 -17,-3.7 -2,-0.5 2,-0.2 -0.979 28.5-124.2-134.2 146.2 55.9 18.0 37.7 66 84 A S E -N 47 0C 48 -2,-0.4 25,-2.3 -19,-0.3 26,-0.3 -0.579 30.1-108.4 -88.7 154.9 52.6 17.8 39.6 67 85 A A E -O 90 0C 24 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.588 20.0-161.2 -78.4 144.4 49.3 18.2 37.8 68 86 A S E S- 0 0 77 21,-2.6 2,-0.3 1,-0.5 22,-0.2 0.754 75.7 -17.3 -95.2 -31.3 47.5 21.5 38.6 69 87 A K E -O 89 0C 87 20,-0.9 20,-2.8 2,-0.0 -1,-0.5 -0.942 57.2-143.2-166.2 155.1 44.2 20.1 37.4 70 88 A S E -O 88 0C 31 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.955 12.8-154.9-124.3 140.9 42.8 17.2 35.4 71 89 A I E -O 87 0C 33 16,-2.5 16,-1.8 -2,-0.4 2,-0.3 -0.947 5.8-158.7-120.1 105.0 39.8 17.8 33.1 72 90 A V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.672 39.3 -96.7 -81.5 140.5 37.8 14.6 32.4 73 91 A H > - 0 0 22 12,-1.7 3,-1.5 -2,-0.3 -1,-0.1 -0.365 35.4-128.8 -53.7 136.1 35.7 15.0 29.2 74 92 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.780 105.6 49.3 -62.6 -29.0 32.2 15.9 30.6 75 93 A S T 3 S+ 0 0 74 2,-0.1 2,-0.1 8,-0.0 -2,-0.1 0.055 77.4 141.7 -99.0 27.8 30.5 13.2 28.6 76 94 A Y < - 0 0 58 -3,-1.5 2,-0.6 9,-0.1 7,-0.2 -0.478 37.2-157.5 -66.7 137.1 32.8 10.5 29.7 77 95 A N B >> -P 82 0D 61 5,-2.3 4,-2.6 1,-0.1 5,-0.6 -0.967 7.7-164.7-117.5 117.1 30.8 7.3 30.2 78 96 A S T 45S+ 0 0 75 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.758 88.1 55.2 -74.1 -20.1 32.6 4.8 32.5 79 97 A N T 45S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.851 125.5 20.6 -81.3 -31.9 30.4 2.0 31.5 80 98 A T T 45S- 0 0 64 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.633 92.9-134.9-106.4 -17.8 31.1 2.3 27.8 81 99 A L T ><5 + 0 0 32 -4,-2.6 3,-0.8 1,-0.3 2,-0.3 0.738 48.7 158.4 65.4 28.1 34.4 4.3 28.0 82 100 A N B 3 < +P 77 0D 37 -5,-0.6 -5,-2.3 1,-0.3 -1,-0.3 -0.638 65.2 20.1 -79.2 140.9 32.9 6.5 25.3 83 101 A N T 3 S+ 0 0 19 -2,-0.3 2,-2.0 -7,-0.2 -10,-0.3 0.883 79.6 172.1 66.4 44.9 34.7 9.8 25.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.438 31.0 113.2 -85.3 74.6 37.7 8.4 27.2 85 103 A I - 0 0 0 -2,-2.0 -12,-1.7 -47,-0.3 2,-0.3 -0.972 37.8-177.9-137.4 153.6 40.0 11.4 27.0 86 104 A M E -MO 37 72C 0 -49,-2.8 -49,-2.8 -2,-0.3 2,-0.4 -0.988 16.1-145.1-151.2 147.2 41.4 13.7 29.8 87 105 A L E -MO 36 71C 0 -16,-1.8 -16,-2.5 -2,-0.3 2,-0.5 -0.940 12.4-161.8-114.0 137.5 43.6 16.8 29.8 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.3 -2,-0.4 2,-0.3 -0.978 6.2-151.5-121.6 136.5 46.1 17.4 32.6 89 107 A K E -MO 34 69C 46 -20,-2.8 -21,-2.6 -2,-0.5 -20,-0.9 -0.790 17.7-130.5-101.9 147.1 47.5 20.8 33.1 90 108 A L E - O 0 67C 0 -57,-2.1 -23,-0.2 -2,-0.3 3,-0.1 -0.665 12.0-125.6 -98.0 154.1 50.9 21.0 34.7 91 109 A K S S+ 0 0 133 -25,-2.3 2,-0.3 -2,-0.3 -1,-0.1 0.925 96.6 5.5 -65.1 -45.6 51.8 23.2 37.7 92 110 A S S S- 0 0 77 -26,-0.3 2,-0.2 -60,-0.1 -24,-0.1 -0.822 97.0 -87.4-129.3 171.9 54.7 24.8 35.8 93 111 A A - 0 0 54 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.555 39.2-119.3 -83.5 152.9 55.8 24.4 32.2 94 112 A A - 0 0 9 -62,-2.9 2,-0.8 -2,-0.2 -1,-0.1 -0.460 26.4-113.1 -82.2 157.6 58.1 21.6 31.2 95 113 A S - 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