==== 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 1BTX . 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) . 9181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 62.1 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 . 70 31.2 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.2 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 1 3 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 0.000 360.0 360.0 360.0 132.8 35.6 20.6 19.1 2 17 A V B +A 171 0A 7 169,-3.3 169,-2.0 1,-0.2 123,-0.1 -0.913 360.0 1.7-108.4 128.6 37.8 19.6 16.0 3 18 A G S S+ 0 0 47 121,-0.6 -1,-0.2 -2,-0.5 2,-0.1 0.759 103.6 117.7 69.9 31.8 39.6 22.5 14.3 4 19 A G - 0 0 33 -3,-0.3 2,-0.3 134,-0.1 134,-0.2 -0.103 58.3-107.0-106.5-154.5 38.3 25.2 16.6 5 20 A Y E -B 137 0B 99 132,-2.4 132,-2.7 -2,-0.1 2,-0.4 -0.935 34.2 -88.2-140.2 158.6 40.1 27.6 19.0 6 21 A T E -B 136 0B 76 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.604 38.8-149.8 -67.7 118.2 40.7 28.1 22.8 7 22 A a - 0 0 17 128,-2.6 -1,-0.2 -2,-0.4 129,-0.1 0.907 32.9-116.2 -55.2 -45.7 37.6 30.2 23.8 8 23 A G > - 0 0 25 127,-0.5 3,-1.6 -3,-0.1 4,-0.3 -0.119 47.7 -53.0 107.5 142.3 39.3 32.1 26.7 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.315 118.5 -15.0 -60.5 117.0 38.2 31.9 30.3 10 25 A N T 3 S+ 0 0 24 42,-0.4 -1,-0.3 -2,-0.1 43,-0.1 0.686 90.8 126.6 64.4 33.7 34.5 32.6 30.8 11 26 A T S < S+ 0 0 84 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.557 76.4 50.2 -89.7 -10.9 33.9 34.1 27.3 12 27 A V S > S+ 0 0 5 -4,-0.3 3,-2.0 87,-0.1 -1,-0.3 -0.655 77.8 176.8-118.6 72.4 31.1 31.6 26.8 13 28 A P T 3 S+ 0 0 35 0, 0.0 88,-1.7 0, 0.0 38,-0.3 0.571 70.3 54.8 -70.1 -6.2 29.3 32.3 30.1 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-1.8 88,-0.1 2,-0.4 0.299 80.2 115.7-103.1 3.5 26.2 30.0 29.7 15 30 A Q E < -J 28 0C 7 -3,-2.0 37,-0.5 13,-0.2 36,-0.4 -0.668 45.0-175.6 -78.5 126.9 28.4 26.9 29.0 16 31 A V E -J 27 0C 1 11,-2.1 11,-0.9 -2,-0.4 2,-0.4 -0.870 19.9-141.1-115.8 156.6 28.0 24.3 31.7 17 32 A S E -JK 26 49C 1 32,-2.7 32,-3.0 -2,-0.3 2,-0.5 -0.948 15.3-143.3-109.8 140.6 29.8 21.0 32.2 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.4 -2,-0.4 7,-1.1 -0.905 25.4-170.6-102.6 130.2 27.6 18.1 33.4 19 34 A N E +JK 23 47C 20 28,-2.8 28,-3.0 -2,-0.5 4,-0.2 -0.961 34.1 167.3-129.4 138.0 29.6 16.0 35.8 20 37 A S S S- 0 0 36 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.381 98.0 -43.8-136.2 49.7 29.0 12.5 37.4 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.249 140.4 26.7 108.1 -11.8 32.7 12.1 38.7 22 39 A Y S S- 0 0 131 -4,-0.0 -2,-2.0 0, 0.0 2,-0.3 -0.881 104.2 -81.3-166.9 157.6 34.1 13.3 35.4 23 40 A H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.563 52.1 161.1 -67.2 130.2 32.8 15.7 32.6 24 41 A F E + 0 0 31 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.522 59.0 4.6-127.1 -11.0 30.5 13.6 30.5 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.3 151,-0.1 -1,-0.4 -0.984 60.2-128.2-166.7 157.7 28.4 16.3 28.6 26 43 A G E +J 17 0C 2 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.468 26.6 171.3-100.3-176.6 27.9 20.0 28.1 27 44 A G E -J 16 0C 0 -11,-0.9 -11,-2.1 -2,-0.2 2,-0.4 -0.955 28.0-108.9-175.3 177.4 24.6 22.1 28.5 28 45 A S E -JL 15 36C 0 8,-2.5 8,-2.3 -2,-0.3 2,-0.6 -0.987 20.7-127.1-129.7 136.3 23.4 25.7 28.5 29 46 A L E + L 0 35C 2 -15,-1.8 74,-2.3 -2,-0.4 6,-0.2 -0.736 28.5 174.2 -79.7 118.4 22.2 27.8 31.4 30 47 A I E - 0 0 16 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.588 69.5 -10.1-107.2 -14.5 18.7 29.3 30.4 31 48 A N E > S- L 0 34C 47 3,-1.2 3,-1.0 70,-0.1 -1,-0.4 -0.909 93.2 -77.4-161.1 175.7 17.8 31.0 33.7 32 49 A S T 3 S+ 0 0 42 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.591 127.4 32.0 -58.9 -10.2 19.3 30.7 37.2 33 50 A Q T 3 S+ 0 0 58 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.455 108.1 68.2-125.4 0.7 17.8 27.3 37.9 34 51 A W E < -LM 31 89C 8 -3,-1.0 -4,-2.4 55,-0.2 -3,-1.2 -0.972 47.6-172.2-133.3 143.8 17.6 25.4 34.6 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.2 -2,-0.4 2,-0.4 -0.908 13.2-149.3-121.4 143.6 20.0 23.9 32.1 36 53 A V E +LM 28 87C 0 -8,-2.3 -8,-2.5 -2,-0.3 2,-0.2 -0.909 31.1 149.7-110.7 145.7 19.1 22.5 28.6 37 54 A S E - M 0 86C 0 49,-2.0 49,-1.9 -2,-0.4 2,-0.3 -0.806 52.3 -65.1-150.4-166.7 21.3 19.6 27.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 -2,-0.2 47,-0.3 -0.730 36.0-131.9 -90.3 140.0 20.8 16.6 25.0 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.836 107.9 65.0 -60.8 -29.1 18.4 13.8 26.2 40 57 A H G 3 S+ 0 0 44 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.654 91.3 66.0 -69.8 -11.1 21.1 11.2 25.3 41 58 A b G < S+ 0 0 4 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.530 77.4 131.0 -79.8 -12.6 23.2 12.9 28.0 42 59 A Y < + 0 0 128 -3,-2.0 2,-0.3 -4,-0.2 -3,-0.0 -0.129 19.9 139.9 -49.0 133.9 20.6 11.6 30.7 43 60 A K - 0 0 59 0, 0.0 2,-0.2 0, 0.0 3,-0.2 -0.927 52.5-101.4-161.6 165.7 21.9 9.9 33.7 44 61 A S S S+ 0 0 96 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.627 99.0 33.5 -87.7 148.3 21.0 9.9 37.4 45 62 A G S S+ 0 0 63 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.999 71.6 172.1 68.5 67.5 23.3 12.0 39.6 46 63 A I - 0 0 9 -3,-0.2 21,-1.9 21,-0.1 2,-0.5 -0.878 17.9-159.4-100.3 137.7 24.4 14.9 37.5 47 64 A Q E -KN 19 66C 53 -28,-3.0 -28,-2.8 -2,-0.4 2,-0.5 -0.994 16.5-139.7-115.4 130.0 26.3 17.7 39.1 48 65 A V E -KN 18 65C 0 17,-2.7 17,-2.7 -2,-0.5 2,-0.6 -0.782 13.1-159.7 -92.4 130.0 26.1 20.9 37.1 49 65AA R E +KN 17 64C 49 -32,-3.0 -32,-2.7 -2,-0.5 3,-0.3 -0.936 12.9 179.0-123.3 111.6 29.3 22.9 36.9 50 66 A L E + N 0 63C 2 13,-2.4 13,-1.6 -2,-0.6 -34,-0.1 -0.622 59.3 38.0-101.5 161.3 29.1 26.5 35.9 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.3 -38,-0.3 10,-0.3 0.720 84.9 160.1 65.5 29.4 31.8 29.2 35.5 52 70 A E + 0 0 12 -37,-0.5 -42,-0.4 -3,-0.3 -1,-0.2 -0.559 24.4 143.3 -90.5 136.2 34.2 26.7 34.0 53 71 A D S S+ 0 0 14 1,-0.5 2,-0.8 -2,-0.3 -1,-0.1 0.324 81.2 29.3-124.4 -81.9 37.2 27.0 31.9 54 72 A N S > S- 0 0 30 80,-0.2 3,-1.0 1,-0.2 -1,-0.5 -0.672 72.4-159.7 -72.1 111.3 39.8 24.4 32.7 55 73 A I T 3 S+ 0 0 33 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.597 87.0 54.3 -72.2 -2.2 37.5 21.5 34.0 56 74 A N T 3 S+ 0 0 124 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.341 103.6 55.2-107.8 5.7 40.5 19.9 35.8 57 75 A V S < S- 0 0 78 -3,-1.0 2,-0.6 76,-0.2 -4,-0.2 -0.985 77.7-127.9-133.0 122.9 41.7 22.9 38.0 58 76 A V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.664 34.3 171.7 -68.8 116.5 39.6 25.1 40.5 59 77 A E - 0 0 98 -2,-0.6 -1,-0.2 -5,-0.2 -7,-0.0 0.280 52.8 -98.8-108.2 2.6 40.4 28.6 39.2 60 78 A G S S+ 0 0 60 1,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.280 103.6 82.4 101.2 -14.8 37.9 30.6 41.3 61 79 A N + 0 0 56 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.461 64.0 122.5-105.2 11.3 34.8 31.2 39.1 62 80 A E - 0 0 37 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.332 37.9-174.2 -82.0 149.3 33.1 27.9 39.6 63 81 A Q E -N 50 0C 32 -13,-1.6 -13,-2.4 -2,-0.1 2,-0.6 -0.980 9.5-170.1-135.5 109.5 29.6 27.1 41.0 64 82 A F E +N 49 0C 73 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.952 14.2 169.6-108.0 118.2 29.0 23.4 41.4 65 83 A I E -N 48 0C 24 -17,-2.7 -17,-2.7 -2,-0.6 2,-0.1 -0.997 31.2-121.2-131.7 133.2 25.3 22.7 42.1 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.9 -19,-0.2 2,-0.3 -0.384 30.2-110.9 -69.4 149.0 23.5 19.2 42.1 67 85 A A E -O 90 0C 18 -21,-1.9 23,-0.3 23,-0.2 -21,-0.1 -0.650 23.9-168.6 -77.0 137.0 20.6 18.6 39.8 68 86 A S E S+ 0 0 76 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.812 70.9 2.3 -96.8 -37.3 17.2 18.2 41.5 69 87 A K E -O 89 0C 76 20,-1.0 20,-2.8 2,-0.0 -1,-0.4 -0.979 55.8-158.2-148.5 155.6 15.2 16.9 38.5 70 88 A S E -O 88 0C 45 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.976 7.7-165.9-130.8 138.3 15.9 16.0 34.9 71 89 A I E -O 87 0C 35 16,-3.0 16,-2.4 -2,-0.4 2,-0.2 -0.962 6.5-157.7-132.5 107.2 13.1 15.9 32.4 72 90 A V E -O 86 0C 49 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.621 42.1 -87.4 -80.2 147.3 13.8 14.1 29.1 73 91 A H > - 0 0 22 12,-2.1 3,-1.6 10,-0.3 -1,-0.1 -0.318 35.5-123.1 -56.4 140.0 11.5 15.2 26.2 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.839 109.2 41.4 -58.4 -31.0 8.3 13.1 26.1 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.092 77.3 143.5-108.0 24.8 8.9 12.0 22.5 76 94 A Y < - 0 0 55 -3,-1.6 2,-0.6 9,-0.1 7,-0.2 -0.442 30.9-165.6 -63.7 125.4 12.7 11.4 22.6 77 95 A N B >> -P 82 0D 63 5,-2.5 4,-2.6 -2,-0.3 5,-0.6 -0.917 8.0-166.0-114.9 108.0 13.4 8.4 20.5 78 96 A S T 45S+ 0 0 76 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.784 86.4 58.0 -66.4 -22.1 17.0 7.0 21.2 79 97 A N T 45S+ 0 0 153 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.856 124.7 20.4 -78.4 -34.0 17.0 4.9 18.0 80 98 A T T 45S- 0 0 73 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.598 96.7-133.7-102.1 -13.1 16.5 7.9 15.7 81 99 A L T ><5 + 0 0 24 -4,-2.6 3,-0.9 1,-0.3 -3,-0.2 0.545 48.1 159.8 62.6 18.1 17.6 10.6 18.2 82 100 A N B 3 < +P 77 0D 37 -5,-0.6 -5,-2.5 1,-0.2 -1,-0.3 -0.476 64.8 16.0 -66.2 138.1 14.5 12.6 17.2 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.858 78.0 178.0 62.6 46.6 13.7 15.1 20.0 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.495 34.8 112.3 -82.2 79.1 17.1 14.9 21.6 85 103 A I + 0 0 0 -2,-1.9 -12,-2.1 -47,-0.3 2,-0.3 -0.993 36.3 177.4-152.7 144.4 16.6 17.5 24.4 86 104 A M E -MO 37 72C 0 -49,-1.9 -49,-2.0 -2,-0.3 2,-0.4 -0.973 19.2-137.4-148.5 154.2 16.3 17.5 28.2 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-3.0 -2,-0.3 2,-0.4 -0.911 12.2-163.3-117.6 142.1 15.9 20.0 31.0 88 106 A I E -MO 35 70C 0 -53,-2.2 -53,-2.6 -2,-0.4 2,-0.4 -0.998 7.4-152.3-127.8 126.5 17.8 19.9 34.3 89 107 A K E -MO 34 69C 44 -20,-2.8 -21,-3.0 -2,-0.4 -20,-1.0 -0.851 19.4-130.8 -98.0 138.8 16.6 21.9 37.3 90 108 A L E - 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