==== 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 1O2W . 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) . 9177.0 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 . 16 7.2 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 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 0.000 360.0 360.0 360.0 131.0 52.8 -3.6 25.4 2 17 A V B +A 171 0A 10 169,-3.1 169,-2.0 1,-0.2 123,-0.1 -0.911 360.0 7.0-109.9 133.9 52.7 -7.2 24.4 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.697 101.8 121.3 70.0 23.4 54.9 -8.4 21.5 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.136 55.5-117.4-100.7-163.6 56.7 -5.0 21.1 5 20 A Y E -B 137 0B 89 132,-2.4 132,-2.9 -3,-0.1 2,-0.4 -0.889 34.9 -84.4-135.4 165.0 60.3 -3.9 21.3 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.566 36.6-148.8 -71.2 122.8 62.4 -1.7 23.5 7 22 A a - 0 0 18 128,-2.3 -1,-0.2 -2,-0.4 129,-0.1 0.907 34.9-113.8 -60.3 -45.0 62.0 1.8 22.1 8 23 A G > - 0 0 29 127,-0.5 3,-1.8 -3,-0.0 4,-0.2 0.062 49.2 -57.0 113.4 138.5 65.5 3.1 23.1 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.201 117.0 -11.2 -52.7 131.2 66.0 5.9 25.6 10 25 A N T 3 S+ 0 0 39 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.608 89.9 126.2 50.4 29.0 64.2 9.1 24.9 11 26 A T S < S+ 0 0 81 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.541 76.7 48.6 -85.5 -5.3 63.2 8.1 21.3 12 27 A V S > S+ 0 0 8 -4,-0.2 3,-1.9 87,-0.1 -1,-0.3 -0.698 73.2 172.9-129.3 72.4 59.5 8.9 22.2 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.583 71.3 57.8 -67.8 -12.4 60.0 12.3 23.8 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.447 81.0 108.4 -95.7 -2.8 56.3 13.1 24.1 15 30 A Q E < -J 28 0C 6 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.555 47.9-175.1 -76.3 133.9 55.6 10.0 26.2 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.1 -2,-0.3 2,-0.4 -0.879 19.5-138.0-126.6 162.1 54.9 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 -0.966 14.2-141.6-117.7 132.9 54.3 8.4 32.9 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.6 -2,-0.4 7,-1.1 -0.883 28.3-167.9 -99.9 126.1 51.5 9.2 35.4 19 34 A N E +JK 23 47C 17 28,-2.9 28,-2.2 -2,-0.6 4,-0.2 -0.969 34.9 166.0-124.5 133.1 52.7 8.4 38.8 20 37 A S S S- 0 0 34 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.383 97.0 -48.5-133.3 46.4 51.1 8.0 42.3 21 38 A G S S+ 0 0 73 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.431 139.9 32.7 99.0 -1.4 53.9 6.2 44.0 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.2 0, 0.0 2,-0.4 -0.913 101.8 -85.7-173.2 160.2 54.0 3.8 41.0 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.652 49.9 159.6 -77.9 126.7 53.4 4.1 37.3 24 41 A F E + 0 0 31 -6,-2.6 2,-0.3 1,-0.4 151,-0.3 0.591 59.1 2.0-125.7 -18.4 49.6 3.6 36.6 25 42 A b E -J 18 0C 8 -7,-1.1 -7,-3.0 151,-0.1 -1,-0.4 -0.978 61.3-124.2-161.1 166.0 49.0 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 -0.418 24.9 177.5-105.4-178.4 50.7 6.9 30.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.4 -0.959 24.6-115.6-171.6 173.6 50.0 10.2 28.5 28 45 A S E -JL 15 36C 2 8,-2.2 8,-2.5 -2,-0.3 2,-0.5 -0.992 19.8-130.4-129.6 134.4 51.2 12.5 25.8 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.2 -2,-0.4 6,-0.2 -0.711 27.2 174.1 -82.2 123.7 52.7 16.0 26.2 30 47 A I E - 0 0 20 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.584 69.0 -8.3-108.9 -12.6 50.9 18.3 23.7 31 48 A N E > S- L 0 34C 49 3,-1.1 3,-0.6 70,-0.1 -1,-0.3 -0.905 92.5 -78.0-163.4 178.0 52.5 21.7 24.8 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.647 127.0 30.2 -68.7 -9.5 54.8 22.7 27.7 33 50 A Q T 3 S+ 0 0 62 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.436 109.7 69.1-124.9 1.0 52.0 22.7 30.3 34 51 A W E < -LM 31 89C 10 -3,-0.6 -4,-2.4 55,-0.2 -3,-1.1 -0.976 47.8-173.1-132.5 143.1 49.4 20.2 29.1 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.9 -2,-0.4 2,-0.4 -0.929 14.9-146.0-123.3 143.8 49.2 16.4 28.8 36 53 A V E +LM 28 87C 0 -8,-2.5 -8,-2.2 -2,-0.3 2,-0.2 -0.931 33.4 148.0-112.0 135.5 46.4 14.4 27.2 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.3 -2,-0.4 2,-0.4 -0.694 49.7 -69.3-145.0-164.5 45.6 11.0 28.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.780 32.1-130.2-101.9 142.3 42.5 8.8 29.2 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.842 106.0 62.8 -58.5 -35.0 39.6 9.7 31.5 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.511 93.6 63.9 -73.2 1.0 39.6 6.3 33.1 41 58 A b G < S+ 0 0 6 -3,-1.9 -1,-0.3 -15,-0.0 -2,-0.2 0.406 77.9 128.6 -97.9 -1.6 43.2 7.0 34.4 42 59 A Y < + 0 0 125 -3,-1.9 2,-0.3 -4,-0.2 -3,-0.0 -0.261 21.2 134.0 -58.7 139.0 41.8 9.9 36.5 43 60 A K - 0 0 56 0, 0.0 3,-0.2 0, 0.0 2,-0.2 -0.937 52.6-101.3-168.9 167.1 42.8 10.0 40.3 44 61 A S S S+ 0 0 94 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.574 95.8 47.0 -96.9 166.1 44.0 12.7 42.6 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.927 73.6 168.1 73.3 45.6 47.6 13.0 43.6 46 63 A I - 0 0 10 -3,-0.2 21,-2.2 21,-0.1 2,-0.5 -0.782 20.9-168.0 -98.7 135.8 49.1 12.6 40.1 47 64 A Q E -KN 19 66C 54 -28,-2.2 -28,-2.9 -2,-0.4 2,-0.5 -0.983 16.9-142.3-117.9 128.1 52.7 13.4 39.4 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.9 -2,-0.5 2,-0.6 -0.837 12.0-157.0 -96.0 128.3 53.6 13.6 35.7 49 65AA R E -KN 17 64C 49 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.950 12.7-175.1-115.2 112.9 57.0 12.1 34.9 50 66 A L E + N 0 63C 2 13,-3.0 13,-1.8 -2,-0.6 -34,-0.1 -0.649 59.9 28.2-103.2 158.8 58.6 13.4 31.6 51 69 A G S S+ 0 0 5 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.710 83.6 152.1 61.2 30.4 61.9 12.3 29.9 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.548 23.8 153.5 -91.3 152.9 61.7 8.8 31.3 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 82,-0.2 0.251 83.1 32.7-135.8 -79.6 63.1 5.6 29.9 54 72 A N S > S- 0 0 23 80,-0.2 3,-0.9 1,-0.1 -1,-0.4 -0.713 72.8-163.7 -81.2 113.0 63.7 3.3 33.0 55 73 A I T 3 S+ 0 0 28 78,-2.5 -1,-0.1 -2,-0.8 79,-0.1 0.565 86.4 53.3 -76.3 -4.5 60.9 4.4 35.4 56 74 A N T 3 S+ 0 0 117 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.467 106.4 55.8-105.1 -6.5 62.6 2.7 38.4 57 75 A V S < S- 0 0 72 -3,-0.9 2,-0.9 76,-0.2 -4,-0.3 -0.997 75.7-134.4-128.2 132.6 66.0 4.5 37.9 58 76 A V + 0 0 115 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.754 37.1 165.0 -84.6 109.6 66.7 8.3 37.8 59 77 A E - 0 0 106 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.528 54.5 -89.4-103.8 -10.5 69.0 8.2 34.7 60 78 A G S S+ 0 0 35 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.130 103.5 67.7 109.2 153.6 69.0 11.9 34.0 61 79 A N + 0 0 70 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.152 69.5 131.6 88.6 -10.4 66.6 13.8 31.7 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.391 36.2-171.8 -72.7 147.7 63.6 13.3 34.0 63 81 A Q E -N 50 0C 38 -13,-1.8 -13,-3.0 -3,-0.1 2,-0.5 -0.977 6.5-162.4-138.0 121.6 61.4 16.2 35.0 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.954 17.6 171.3-109.9 119.2 58.7 15.3 37.7 65 83 A I E -N 48 0C 20 -17,-2.9 -17,-3.1 -2,-0.5 2,-0.1 -0.995 29.9-123.5-134.2 137.2 55.9 17.9 37.8 66 84 A S E -N 47 0C 48 -2,-0.4 25,-2.8 -19,-0.2 26,-0.3 -0.428 28.8-113.7 -76.4 151.1 52.7 17.8 39.8 67 85 A A E -O 90 0C 21 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.664 20.1-162.8 -80.8 138.8 49.4 18.1 38.0 68 86 A S E S- 0 0 79 21,-3.3 2,-0.3 1,-0.4 22,-0.2 0.845 74.8 -8.2 -91.2 -40.8 47.6 21.3 38.9 69 87 A K E -O 89 0C 85 20,-1.2 20,-2.8 2,-0.0 2,-0.4 -0.987 56.9-148.2-154.1 152.2 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 -0.977 13.2-158.8-120.9 133.9 42.9 17.1 35.6 71 89 A I E -O 87 0C 32 16,-3.2 16,-2.1 -2,-0.4 2,-0.3 -0.921 4.3-161.4-120.9 103.2 39.9 17.7 33.3 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.628 39.7 -93.7 -81.0 141.5 37.9 14.6 32.4 73 91 A H > - 0 0 24 12,-2.1 3,-1.9 10,-0.3 -1,-0.1 -0.317 33.8-129.2 -55.3 131.1 35.7 15.0 29.4 74 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.769 106.6 48.4 -56.8 -27.9 32.2 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 0.134 77.5 138.8-100.9 18.5 30.5 13.3 28.7 76 94 A Y < - 0 0 57 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.495 38.3-158.7 -65.0 133.0 32.8 10.5 29.7 77 95 A N B >> -P 82 0D 65 5,-2.0 4,-2.6 -2,-0.2 5,-0.6 -0.963 6.7-161.9-114.9 109.6 30.8 7.3 30.3 78 96 A S T 45S+ 0 0 82 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.636 88.4 55.9 -70.6 -9.7 32.7 4.9 32.6 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.884 123.8 20.5 -88.8 -39.2 30.5 2.0 31.5 80 98 A T T 45S- 0 0 69 -3,-0.1 -2,-0.2 2,-0.1 77,-0.1 0.630 94.3-133.3-100.2 -15.0 31.1 2.3 27.8 81 99 A L T ><5 + 0 0 31 -4,-2.6 3,-0.8 1,-0.3 2,-0.2 0.667 48.2 159.5 67.7 23.9 34.3 4.3 27.9 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-2.0 1,-0.3 -1,-0.3 -0.591 66.8 18.5 -74.6 141.7 32.9 6.6 25.3 83 101 A N T 3 S+ 0 0 19 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.894 79.8 174.5 62.5 45.9 34.8 10.0 25.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.515 33.4 114.7 -82.8 76.0 37.7 8.4 27.3 85 103 A I + 0 0 0 -2,-2.1 -12,-2.1 -47,-0.3 2,-0.3 -0.994 37.6 179.8-146.5 146.3 40.0 11.4 27.2 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.8 -2,-0.3 2,-0.4 -0.986 17.4-143.7-146.7 146.7 41.3 13.8 29.9 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-3.2 -2,-0.3 2,-0.4 -0.901 12.8-160.9-112.8 140.8 43.6 16.8 29.9 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.4 -2,-0.4 2,-0.4 -0.991 5.7-152.0-123.8 130.5 46.1 17.4 32.7 89 107 A K E -MO 34 69C 49 -20,-2.8 -21,-3.3 -2,-0.4 -20,-1.2 -0.858 20.0-129.6-101.6 135.3 47.5 20.9 33.3 90 108 A L E - 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