==== 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/HYDROLASE INHIBITOR 17-MAY-95 1BTZ . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.M.STROUD,B.A.KATZ,J.FINER-MOORE . 224 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9139.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 60.7 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 31.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 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 . 1 0.4 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 8.9 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 0.000 360.0 360.0 360.0 133.3 35.6 20.5 19.0 2 17 A V B +A 171 0A 7 169,-3.2 169,-2.2 1,-0.2 123,-0.1 -0.895 360.0 3.0-107.7 130.2 37.8 19.6 15.9 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.688 103.2 115.1 73.1 26.8 39.5 22.5 14.1 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.036 58.5-112.2-104.8-150.4 38.3 25.2 16.5 5 20 A Y E -B 137 0B 101 132,-2.6 132,-3.4 -3,-0.1 2,-0.4 -0.942 34.8 -84.1-146.3 163.1 40.1 27.6 18.9 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.623 36.0-148.7 -71.3 123.2 40.4 28.1 22.7 7 22 A a - 0 0 19 128,-1.9 -1,-0.2 -2,-0.4 129,-0.1 0.913 35.5-115.7 -60.6 -45.5 37.5 30.3 23.8 8 23 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.076 48.2 -52.5 108.8 140.5 39.2 32.1 26.6 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.266 118.0 -15.5 -57.3 114.8 38.3 31.8 30.2 10 25 A N T 3 S+ 0 0 21 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.629 90.3 126.5 67.7 28.6 34.6 32.5 30.8 11 26 A T S < S+ 0 0 86 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.582 75.7 50.8 -87.0 -8.2 33.9 34.1 27.4 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-2.0 87,-0.1 -1,-0.3 -0.688 75.3 175.3-120.0 73.4 31.0 31.7 26.9 13 28 A P T 3 + 0 0 32 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.593 69.9 57.8 -70.8 -6.9 29.3 32.3 30.3 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.370 79.0 111.3 -99.4 -2.1 26.2 30.1 29.6 15 30 A Q E < -J 28 0C 7 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.658 47.8-171.3 -74.1 122.4 28.3 26.9 29.0 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.0 -2,-0.4 2,-0.4 -0.803 17.6-141.7-111.7 157.8 27.9 24.2 31.7 17 32 A S E -JK 26 49C 0 32,-2.6 32,-2.8 -2,-0.3 2,-0.6 -0.962 16.5-141.4-109.2 133.2 29.8 21.0 32.2 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.5 -2,-0.4 7,-0.8 -0.888 24.4-167.6 -96.2 124.9 27.7 18.1 33.4 19 34 A N E +JK 23 47C 22 28,-2.9 28,-2.8 -2,-0.6 4,-0.2 -0.944 32.7 163.4-118.9 129.7 29.7 16.0 35.9 20 37 A S S S- 0 0 33 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.352 98.4 -44.7-127.4 48.9 29.0 12.6 37.4 21 38 A G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.185 139.8 24.3 107.9 -16.2 32.6 12.1 38.6 22 39 A Y S S- 0 0 134 -4,-0.1 -2,-2.0 0, 0.0 2,-0.2 -0.916 104.4 -78.0-168.3 158.5 34.1 13.4 35.3 23 40 A H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.561 51.7 163.3 -63.1 128.1 32.8 15.7 32.5 24 41 A F E - 0 0 34 -6,-2.5 2,-0.3 1,-0.5 151,-0.2 0.538 60.4 -6.8-122.9 -10.0 30.4 13.6 30.4 25 42 A b E -J 18 0C 8 -7,-0.8 -7,-3.1 151,-0.1 -1,-0.5 -0.945 62.8-121.4-173.8 160.3 28.4 16.3 28.4 26 43 A G E +J 17 0C 2 151,-2.9 12,-0.3 -2,-0.3 2,-0.3 -0.353 27.0 178.2-101.6-175.1 27.9 20.0 28.1 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.4 -2,-0.1 2,-0.4 -0.973 25.6-107.3-174.3 174.9 24.7 22.1 28.5 28 45 A S E -JL 15 36C 0 8,-2.8 8,-2.3 -2,-0.3 2,-0.6 -0.982 19.2-133.7-125.0 132.5 23.3 25.7 28.4 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.733 27.2 172.8 -79.8 119.5 22.2 27.8 31.3 30 47 A I E - 0 0 17 4,-2.1 2,-0.3 -2,-0.6 -1,-0.1 0.506 69.0 -8.4-108.6 -9.9 18.9 29.4 30.2 31 48 A N E > S- L 0 34C 47 3,-1.0 3,-0.8 70,-0.1 -1,-0.3 -0.911 91.5 -77.8-166.6-179.4 17.9 30.9 33.6 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-2.2 1,-0.3 60,-0.1 0.652 126.4 28.0 -70.5 -13.3 19.3 30.7 37.2 33 50 A Q T 3 S+ 0 0 57 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.439 109.1 72.2-121.9 1.4 17.8 27.3 38.0 34 51 A W E < -LM 31 89C 7 -3,-0.8 -4,-2.1 55,-0.2 -3,-1.0 -0.965 48.0-172.9-130.0 139.2 17.5 25.5 34.6 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.4 -0.894 12.2-151.7-115.8 144.1 19.9 23.9 32.2 36 53 A V E +LM 28 87C 0 -8,-2.3 -8,-2.8 -2,-0.3 2,-0.2 -0.949 30.9 148.0-114.9 140.8 19.1 22.5 28.7 37 54 A S E - M 0 86C 0 49,-1.9 49,-1.8 -2,-0.4 2,-0.3 -0.750 52.1 -63.7-147.3-164.8 21.2 19.6 27.3 38 55 A A > - 0 0 0 -12,-0.3 3,-1.7 47,-0.2 47,-0.2 -0.753 35.1-132.7 -94.4 142.0 20.8 16.5 25.0 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.839 107.7 64.1 -60.6 -31.6 18.4 13.8 26.1 40 57 A H G 3 S+ 0 0 40 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.621 91.9 66.0 -68.5 -10.4 21.1 11.2 25.2 41 58 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.522 78.3 132.1 -85.5 -1.6 23.2 12.9 28.0 42 59 A Y < + 0 0 126 -3,-2.2 2,-0.2 -4,-0.1 -3,-0.0 -0.205 19.6 133.2 -57.2 138.1 20.6 11.6 30.5 43 60 A K - 0 0 57 3,-0.0 2,-0.3 0, 0.0 3,-0.2 -0.920 53.2 -92.6-167.4 169.1 21.8 9.8 33.6 44 61 A S S S+ 0 0 98 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 -0.641 96.4 26.7 -90.2 143.2 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 0.990 72.0 171.8 70.6 66.1 23.2 12.1 39.8 46 63 A I - 0 0 6 -3,-0.2 21,-2.2 21,-0.1 2,-0.5 -0.837 19.6-158.1-104.6 134.1 24.4 14.9 37.7 47 64 A Q E -KN 19 66C 53 -28,-2.8 -28,-2.9 -2,-0.4 2,-0.5 -0.976 17.1-137.1-112.0 132.0 26.1 17.8 39.2 48 65 A V E -KN 18 65C 0 17,-3.1 17,-3.0 -2,-0.5 2,-0.6 -0.744 14.2-158.5 -88.6 128.0 26.0 20.9 37.1 49 65AA R E -KN 17 64C 52 -32,-2.8 -32,-2.6 -2,-0.5 3,-0.3 -0.939 13.4-176.8-118.6 111.5 29.3 22.8 36.9 50 66 A L E + N 0 63C 2 13,-3.0 13,-1.9 -2,-0.6 -34,-0.1 -0.648 58.5 31.5-102.1 154.8 29.0 26.4 35.9 51 69 A G S S+ 0 0 5 -36,-0.5 10,-0.3 -38,-0.3 2,-0.3 0.751 81.8 155.3 70.7 26.4 31.8 29.0 35.4 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.577 23.3 153.3 -88.0 140.7 34.3 26.5 34.1 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 -2,-0.3 82,-0.2 0.318 82.9 30.5-117.3 -81.8 37.3 27.1 31.9 54 72 A N S > S- 0 0 30 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.673 74.0-158.3 -70.2 110.3 39.8 24.3 32.8 55 73 A I T 3 S+ 0 0 29 78,-2.5 -1,-0.2 -2,-0.7 79,-0.1 0.615 89.5 49.8 -70.3 -4.1 37.5 21.4 34.0 56 74 A N T 3 S+ 0 0 121 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.360 104.7 58.5-111.0 -1.4 40.4 19.9 35.9 57 75 A V S < S- 0 0 74 -3,-1.2 2,-0.7 76,-0.2 -4,-0.3 -0.995 76.9-132.0-126.2 126.0 41.6 23.0 37.9 58 76 A V + 0 0 111 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.719 33.2 171.1 -76.5 118.5 39.5 25.1 40.3 59 77 A E - 0 0 96 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.546 51.8 -97.0-106.8 -17.9 40.3 28.5 39.1 60 78 A G S S+ 0 0 57 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.180 102.8 80.5 125.7 -18.5 37.8 30.6 41.1 61 79 A N + 0 0 58 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.363 66.7 115.5-104.2 11.2 34.8 31.2 39.0 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.407 41.7-168.8 -89.4 153.4 32.9 27.9 39.4 63 81 A Q E -N 50 0C 38 -13,-1.9 -13,-3.0 -2,-0.1 2,-0.6 -0.989 9.2-163.6-135.8 120.9 29.6 27.0 40.9 64 82 A F E +N 49 0C 74 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.956 19.0 168.6-110.0 113.4 29.0 23.3 41.4 65 83 A I E -N 48 0C 20 -17,-3.0 -17,-3.1 -2,-0.6 -2,-0.1 -0.987 30.7-122.0-131.6 132.6 25.3 22.6 42.0 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.6 -19,-0.3 2,-0.4 -0.379 27.7-112.3 -69.5 151.6 23.4 19.3 42.0 67 85 A A E -O 90 0C 19 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.717 21.0-165.7 -77.7 133.6 20.4 18.6 39.7 68 86 A S E S- 0 0 74 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.697 72.7 -5.0 -91.2 -31.0 17.1 18.2 41.6 69 87 A K E -O 89 0C 82 20,-1.0 20,-2.6 2,-0.0 2,-0.4 -0.950 57.2-147.9-160.9 153.3 15.3 16.7 38.6 70 88 A S E -O 88 0C 39 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.952 8.9-165.8-119.3 138.9 15.8 15.8 34.9 71 89 A I E -O 87 0C 35 16,-2.8 16,-2.5 -2,-0.4 2,-0.2 -0.952 7.2-158.9-128.0 108.0 13.0 15.9 32.4 72 90 A V E -O 86 0C 50 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.604 42.6 -86.2 -79.0 147.2 13.8 14.1 29.1 73 91 A H > - 0 0 23 12,-2.1 3,-1.6 10,-0.3 -1,-0.1 -0.310 37.5-123.4 -49.0 137.7 11.5 15.3 26.1 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.791 109.1 41.2 -58.8 -25.4 8.3 13.2 26.1 75 93 A S T 3 S+ 0 0 72 8,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.111 78.6 143.1-112.0 24.2 8.9 12.0 22.5 76 94 A Y < - 0 0 54 -3,-1.6 2,-0.6 9,-0.1 7,-0.2 -0.448 31.3-164.8 -64.0 129.0 12.7 11.4 22.6 77 95 A N B >> -P 82 0D 65 5,-2.5 4,-2.6 -2,-0.3 5,-0.6 -0.899 9.7-164.5-119.6 107.8 13.5 8.4 20.5 78 96 A S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.707 88.1 57.0 -66.3 -17.3 17.0 7.1 21.3 79 97 A N T 45S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.915 122.4 23.0 -81.8 -41.5 17.1 5.1 18.1 80 98 A T T 45S- 0 0 75 -3,-0.3 -2,-0.2 2,-0.1 77,-0.1 0.557 95.4-134.0 -96.1 -10.3 16.4 8.0 15.7 81 99 A L T ><5 + 0 0 22 -4,-2.6 3,-0.9 1,-0.3 2,-0.3 0.679 50.6 156.4 60.1 18.0 17.7 10.7 18.1 82 100 A N B 3 < +P 77 0D 37 -5,-0.6 -5,-2.5 1,-0.2 -1,-0.3 -0.622 64.0 15.8 -72.0 133.5 14.6 12.6 17.1 83 101 A N T 3 S+ 0 0 20 -2,-0.3 2,-1.9 -7,-0.2 -10,-0.3 0.823 76.7 176.2 72.0 42.8 13.8 15.1 19.9 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.478 33.9 112.6 -82.3 81.9 17.1 15.0 21.6 85 103 A I + 0 0 0 -2,-1.9 -12,-2.1 -47,-0.2 2,-0.3 -0.990 36.4 178.5-148.1 143.0 16.6 17.7 24.3 86 104 A M E -MO 37 72C 0 -49,-1.8 -49,-1.9 -2,-0.3 2,-0.4 -0.983 19.4-137.3-146.2 149.4 16.3 17.4 28.1 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.4 -0.900 13.1-164.7-109.3 140.0 15.8 20.0 31.0 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.6 -2,-0.4 2,-0.4 -0.986 7.0-153.2-122.5 121.5 17.8 19.8 34.2 89 107 A K E -MO 34 69C 42 -20,-2.6 -21,-3.0 -2,-0.4 -20,-1.0 -0.818 16.6-133.1 -93.7 136.9 16.6 21.8 37.3 90 108 A L E - 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