==== 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 1O2I . 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.SHRADER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 . 17 7.6 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 . 13 5.8 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 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 12 169,-3.0 169,-1.9 1,-0.2 123,-0.1 -0.889 360.0 11.1-105.0 135.5 52.7 -7.4 24.5 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.655 102.6 118.6 75.1 18.4 54.8 -8.4 21.5 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.117 56.2-119.2-101.6-162.1 56.7 -5.1 21.2 5 20 A Y E -B 137 0B 90 132,-2.4 132,-2.9 -3,-0.1 2,-0.4 -0.921 34.7 -85.3-137.8 164.5 60.3 -4.0 21.5 6 21 A T E -B 136 0B 70 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.548 36.3-148.0 -70.1 122.6 62.4 -1.7 23.7 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.4 2,-0.1 0.922 36.1-112.5 -60.4 -45.5 62.0 1.8 22.2 8 23 A G > - 0 0 29 127,-0.5 3,-1.6 -3,-0.1 4,-0.3 -0.109 51.3 -56.5 117.3 143.0 65.5 3.0 23.1 9 24 A A T 3 S- 0 0 58 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.275 118.0 -10.6 -59.0 127.3 65.9 5.8 25.7 10 25 A N T 3 S+ 0 0 34 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.692 89.9 127.3 57.4 29.1 64.0 9.0 24.9 11 26 A T S < S+ 0 0 80 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.552 76.1 48.1 -87.1 -8.5 63.2 8.0 21.4 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 87,-0.1 -1,-0.2 -0.698 74.7 175.0-124.7 75.0 59.4 8.8 22.2 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.636 71.5 57.8 -68.8 -10.1 59.9 12.3 23.8 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.477 80.7 108.7 -96.8 -2.0 56.2 13.0 24.1 15 30 A Q E < -J 28 0C 6 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.538 47.1-175.8 -77.3 134.6 55.5 10.0 26.3 16 31 A V E -J 27 0C 1 11,-2.1 11,-1.0 -2,-0.3 2,-0.4 -0.883 21.0-137.9-128.7 162.3 54.7 10.6 30.0 17 32 A S E -JK 26 49C 0 32,-2.2 32,-2.8 -2,-0.3 2,-0.5 -0.966 14.9-142.4-117.0 133.7 54.1 8.4 33.0 18 33 A L E -JK 25 48C 0 7,-2.7 6,-1.9 -2,-0.4 7,-0.9 -0.864 29.5-168.7 -96.7 131.4 51.3 9.4 35.4 19 34 A N E +JK 23 47C 15 28,-2.8 28,-2.2 -2,-0.5 4,-0.2 -0.983 35.5 166.2-130.3 134.0 52.6 8.5 38.8 20 37 A S S S- 0 0 38 2,-1.9 3,-0.1 -2,-0.4 26,-0.1 -0.364 96.7 -47.9-133.1 46.7 51.0 8.3 42.3 21 38 A G S S+ 0 0 73 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 0.453 139.4 33.3 100.5 -2.9 53.8 6.4 44.1 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-1.9 0, 0.0 2,-0.4 -0.908 100.7 -88.5-169.5 162.5 53.9 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 -0.715 50.0 160.0 -82.6 128.8 53.3 4.2 37.3 24 41 A F E + 0 0 30 -6,-1.9 2,-0.3 1,-0.4 151,-0.2 0.599 59.3 5.3-126.9 -17.6 49.5 3.6 36.6 25 42 A b E -J 18 0C 8 -7,-0.9 -7,-2.7 151,-0.1 -1,-0.4 -0.974 62.4-127.5-160.3 162.0 48.8 5.2 33.1 26 43 A G E +J 17 0C 2 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.371 26.1 177.7-102.9-176.1 50.6 6.8 30.2 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.1 -2,-0.1 2,-0.4 -0.978 24.0-113.3-173.2 173.4 49.9 10.1 28.6 28 45 A S E -JL 15 36C 2 8,-2.5 8,-2.2 -2,-0.3 2,-0.6 -0.977 17.9-131.2-127.6 136.9 51.1 12.5 25.8 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.0 -2,-0.4 6,-0.2 -0.764 27.3 172.7 -84.4 120.9 52.7 15.9 26.1 30 47 A I E S- 0 0 19 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.566 70.1 -7.8-106.0 -14.7 50.8 18.2 23.5 31 48 A N E > S- L 0 34C 49 3,-1.2 3,-0.6 70,-0.1 -1,-0.3 -0.922 92.5 -79.5-161.9 177.3 52.4 21.6 24.6 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.652 127.0 32.2 -68.8 -8.0 54.7 22.6 27.6 33 50 A Q T 3 S+ 0 0 61 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.493 109.3 66.1-123.1 -3.1 51.8 22.8 30.0 34 51 A W E < -LM 31 89C 9 -3,-0.6 -4,-2.2 55,-0.2 -3,-1.2 -0.959 47.9-173.0-130.7 147.1 49.3 20.2 28.9 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.5 -2,-0.4 2,-0.4 -0.917 15.0-145.4-125.6 147.7 49.1 16.4 28.7 36 53 A V E +LM 28 87C 0 -8,-2.2 -8,-2.5 -2,-0.3 2,-0.2 -0.949 33.5 146.3-118.3 137.5 46.3 14.3 27.1 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.5 -2,-0.4 2,-0.3 -0.751 50.4 -65.8-147.8-164.9 45.5 10.9 28.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.755 32.5-130.4 -99.6 144.0 42.4 8.8 29.2 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.845 106.2 62.1 -61.5 -35.3 39.5 9.8 31.4 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.601 92.7 65.8 -70.5 -3.2 39.5 6.4 33.2 41 58 A b G < S+ 0 0 5 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.400 76.3 130.1 -93.9 2.2 43.1 7.1 34.4 42 59 A Y < + 0 0 121 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.324 20.5 133.9 -59.8 130.5 41.7 9.9 36.5 43 60 A K - 0 0 58 -2,-0.1 3,-0.2 0, 0.0 2,-0.2 -0.951 52.6-103.1-161.9 169.7 42.7 10.1 40.2 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.599 95.9 47.7 -98.6 165.7 44.0 12.8 42.5 45 62 A G S S+ 0 0 64 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.936 72.6 167.7 75.7 42.0 47.6 13.1 43.5 46 63 A I - 0 0 10 -3,-0.2 21,-2.1 21,-0.1 2,-0.5 -0.781 19.5-170.6 -96.0 132.7 49.0 12.8 40.0 47 64 A Q E -KN 19 66C 52 -28,-2.2 -28,-2.8 -2,-0.5 2,-0.5 -0.974 18.4-142.5-115.1 130.0 52.7 13.6 39.4 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.8 -2,-0.5 2,-0.6 -0.833 11.7-156.8 -96.2 129.0 53.5 13.7 35.7 49 65AA R E -KN 17 64C 51 -32,-2.8 -32,-2.2 -2,-0.5 3,-0.3 -0.942 13.0-176.1-115.9 116.4 56.9 12.2 34.9 50 66 A L E + N 0 63C 2 13,-2.7 13,-1.8 -2,-0.6 -34,-0.1 -0.605 60.7 32.0-103.1 160.3 58.5 13.4 31.6 51 69 A G S S+ 0 0 5 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.717 84.1 151.3 62.1 26.2 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 -0.499 24.0 151.7 -90.2 155.2 61.6 8.8 31.4 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.7 4,-0.2 -1,-0.2 0.201 83.2 32.7-138.4 -80.9 63.0 5.5 30.0 54 72 A N S > S- 0 0 23 80,-0.2 3,-0.9 1,-0.2 -1,-0.4 -0.716 72.8-164.2 -81.3 113.4 63.6 3.3 33.2 55 73 A I T 3 S+ 0 0 28 78,-2.3 -1,-0.2 -2,-0.7 79,-0.1 0.455 85.7 53.3 -80.3 0.6 60.7 4.5 35.5 56 74 A N T 3 S+ 0 0 114 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.422 106.5 56.2-112.0 -3.4 62.4 2.9 38.5 57 75 A V S < S- 0 0 71 -3,-0.9 2,-1.0 76,-0.2 -4,-0.2 -0.995 76.0-133.5-129.9 134.1 65.8 4.6 38.1 58 76 A V + 0 0 115 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.744 38.2 163.6 -86.0 106.1 66.6 8.4 37.9 59 77 A E - 0 0 106 -2,-1.0 -1,-0.2 1,-0.3 2,-0.1 0.564 55.1 -85.7-100.2 -15.6 68.9 8.2 34.8 60 78 A G S S+ 0 0 33 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.219 104.1 62.5 118.4 150.1 68.9 11.9 33.9 61 79 A N + 0 0 63 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.237 69.8 133.2 86.9 -8.2 66.4 13.9 31.6 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 -11,-0.0 -1,-0.3 -0.427 35.9-170.8 -74.5 148.8 63.5 13.3 33.9 63 81 A Q E -N 50 0C 34 -13,-1.8 -13,-2.7 -3,-0.1 2,-0.6 -0.982 6.2-161.4-136.4 122.8 61.2 16.2 34.9 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.961 18.7 170.4-110.3 118.4 58.7 15.4 37.7 65 83 A I E -N 48 0C 21 -17,-2.8 -17,-3.2 -2,-0.6 2,-0.1 -0.992 29.2-126.1-131.6 134.9 55.8 17.9 37.7 66 84 A S E -N 47 0C 58 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.443 28.0-112.7 -77.3 155.7 52.6 17.8 39.6 67 85 A A E -O 90 0C 24 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.666 18.8-162.0 -83.1 139.9 49.3 18.2 37.8 68 86 A S E S- 0 0 82 21,-3.3 2,-0.3 1,-0.4 22,-0.2 0.769 75.1 -13.0 -94.4 -34.3 47.5 21.4 38.8 69 87 A K E -O 89 0C 89 20,-1.2 20,-2.8 -3,-0.1 2,-0.4 -0.976 56.5-144.2-162.0 154.3 44.2 20.0 37.5 70 88 A S E -O 88 0C 31 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.986 12.7-155.3-123.3 132.7 42.8 17.2 35.4 71 89 A I E -O 87 0C 33 16,-3.3 16,-2.0 -2,-0.4 2,-0.3 -0.909 6.2-161.6-114.0 101.3 39.8 17.8 33.1 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.578 39.7 -96.6 -78.1 137.8 37.8 14.6 32.4 73 91 A H > - 0 0 21 12,-1.9 3,-2.0 -2,-0.3 -1,-0.1 -0.342 32.6-129.1 -55.0 132.3 35.6 15.0 29.3 74 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.754 107.7 49.3 -59.7 -24.9 32.0 16.0 30.7 75 93 A S T 3 S+ 0 0 77 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.153 77.7 137.1-102.1 19.5 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 -0.469 39.2-158.8 -64.7 133.3 32.8 10.5 29.7 77 95 A N B >> -P 82 0D 64 5,-2.0 4,-2.4 -2,-0.2 5,-0.5 -0.958 7.0-161.3-117.2 112.5 30.8 7.3 30.4 78 96 A S T 45S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.671 88.2 54.2 -70.5 -14.4 32.7 4.9 32.6 79 97 A N T 45S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.861 124.4 22.2 -87.2 -38.1 30.5 1.9 31.6 80 98 A T T 45S- 0 0 68 2,-0.1 -2,-0.2 -3,-0.1 77,-0.1 0.652 94.7-134.2-100.7 -15.6 31.0 2.2 27.8 81 99 A L T ><5 + 0 0 32 -4,-2.4 3,-0.8 1,-0.3 2,-0.2 0.673 48.0 158.9 67.7 22.7 34.3 4.2 28.0 82 100 A N B 3 < +P 77 0D 35 -5,-0.5 -5,-2.0 1,-0.2 -1,-0.3 -0.548 66.1 18.7 -73.2 142.5 32.8 6.5 25.3 83 101 A N T 3 S+ 0 0 21 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.904 80.0 173.7 62.2 45.7 34.7 9.9 25.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.456 32.5 114.9 -82.7 73.8 37.6 8.3 27.3 85 103 A I - 0 0 0 -2,-2.1 -12,-1.9 -47,-0.3 2,-0.3 -0.995 37.9-179.2-143.2 147.3 39.9 11.4 27.1 86 104 A M E -MO 37 72C 0 -49,-2.5 -49,-2.7 -2,-0.3 2,-0.4 -0.994 17.1-145.0-145.8 143.8 41.3 13.7 29.8 87 105 A L E -MO 36 71C 0 -16,-2.0 -16,-3.3 -2,-0.3 2,-0.4 -0.897 13.1-160.7-109.6 140.9 43.5 16.8 29.7 88 106 A I E -MO 35 70C 0 -53,-2.5 -53,-2.2 -2,-0.4 2,-0.5 -0.989 6.3-151.0-122.9 129.2 46.0 17.4 32.6 89 107 A K E -MO 34 69C 48 -20,-2.8 -21,-3.3 -2,-0.4 -20,-1.2 -0.849 19.5-129.6 -99.1 134.2 47.4 20.9 33.2 90 108 A L E - O 0 67C 1 -57,-3.0 -23,-0.2 -2,-0.5 -24,-0.1 -0.601 9.9-128.5 -85.1 146.7 50.9 20.9 34.7 91 109 A K S S+ 0 0 151 -25,-2.9 2,-0.3 -2,-0.2 -1,-0.1 0.896 97.7 12.6 -59.7 -42.8 51.7 23.1 37.8 92 110 A S S S- 0 0 74 -26,-0.3 2,-0.2 -60,-0.1 -24,-0.1 -0.883 95.6 -96.3-129.5 163.3 54.8 24.6 35.9 93 111 A A - 0 0 52 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.553 39.9-120.2 -81.0 147.7 55.7 24.3 32.2 94 112 A A - 0 0 8 -62,-2.8 2,-0.8 -2,-0.2 -1,-0.1 -0.463 21.9-113.6 -83.7 160.6 58.1 21.7 31.3 95 113 A S - 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