==== 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 27-SEP-82 1TPP . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.WALTER,W.BODE,R.HUBER . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9272.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 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 . 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 . 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 . 15 6.7 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 . 0 0.0 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,-0.4 0.000 360.0 360.0 360.0 116.0 -8.1 8.8 19.2 2 17 A V B +A 171 0A 11 169,-2.9 169,-1.8 1,-0.2 123,-0.1 -0.844 360.0 7.7 -97.9 132.6 -10.4 9.5 16.2 3 18 A G S S+ 0 0 43 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.827 101.8 120.2 75.1 22.9 -12.0 6.6 14.3 4 19 A G - 0 0 32 -3,-0.4 2,-0.3 134,-0.1 134,-0.2 -0.167 57.6-114.6-107.4-166.4 -10.8 3.9 16.9 5 20 A Y E -B 137 0B 100 132,-2.5 132,-3.6 -2,-0.1 2,-0.5 -0.901 36.1 -89.1-129.3 168.1 -12.6 1.4 19.1 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 3,-0.1 -0.613 36.7-148.8 -83.1 116.8 -13.0 1.0 22.8 7 22 A a - 0 0 17 128,-2.0 -1,-0.1 -2,-0.5 2,-0.1 0.913 34.8-114.1 -60.0 -39.9 -10.1 -1.2 23.8 8 23 A G > - 0 0 26 127,-0.5 3,-2.0 4,-0.0 4,-0.3 -0.057 48.4 -55.9 106.0 140.5 -11.7 -3.0 26.8 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 -2,-0.1 43,-0.1 -0.313 119.0 -10.3 -58.4 124.2 -10.7 -2.6 30.4 10 25 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.635 90.2 126.7 54.8 38.3 -6.9 -3.4 31.0 11 26 A T S < S+ 0 0 82 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.563 76.6 48.1 -87.1 -11.0 -6.5 -4.9 27.5 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 1,-0.1 -1,-0.2 -0.785 74.5 174.7-122.2 68.5 -3.6 -2.5 27.1 13 28 A P T 3 S+ 0 0 28 0, 0.0 88,-0.9 0, 0.0 38,-0.4 0.735 71.6 56.0 -71.1 -12.6 -1.8 -3.1 30.4 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.369 82.1 112.0 -86.2 -6.6 1.4 -0.9 29.8 15 30 A Q E < -J 28 0C 8 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.655 46.7-175.1 -80.0 128.3 -0.8 2.2 29.2 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.0 -2,-0.4 2,-0.4 -0.923 20.1-138.9-113.5 159.9 -0.5 4.9 31.8 17 32 A S E -JK 26 49C 1 32,-2.4 32,-3.3 -2,-0.3 2,-0.6 -0.905 14.9-142.5-112.4 132.6 -2.3 8.2 32.3 18 33 A L E -JK 25 48C 0 7,-2.8 6,-2.5 -2,-0.4 7,-0.9 -0.902 26.0-170.5 -92.8 125.2 -0.3 11.2 33.5 19 34 A N E +JK 23 47C 23 28,-2.4 28,-2.8 -2,-0.6 4,-0.2 -0.951 32.0 165.2-123.1 137.4 -2.3 13.3 35.9 20 37 A S S S- 0 0 34 2,-2.3 26,-0.1 -2,-0.4 3,-0.1 -0.399 98.0 -43.6-133.6 43.2 -1.7 16.7 37.4 21 38 A G S S+ 0 0 67 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.221 140.5 25.0 111.8 -15.5 -5.2 17.2 38.7 22 39 A Y S S- 0 0 127 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.926 102.0 -79.7-174.4 152.3 -6.6 15.9 35.5 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.570 51.1 160.1 -64.5 129.7 -5.4 13.6 32.7 24 41 A F E - 0 0 32 -6,-2.5 2,-0.3 1,-0.5 151,-0.2 0.554 58.6 -2.0-126.4 -17.4 -3.1 15.5 30.4 25 42 A b E -J 18 0C 8 -7,-0.9 -7,-2.8 151,-0.1 -1,-0.5 -0.945 62.7-121.2-168.4 155.6 -1.0 12.9 28.4 26 43 A G E +J 17 0C 0 151,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.358 27.4 175.9 -92.4-172.0 -0.4 9.2 28.1 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.4 -2,-0.2 2,-0.4 -0.918 24.7-112.1-178.1 174.6 2.8 7.2 28.6 28 45 A S E -JL 15 36C 0 8,-2.2 8,-3.0 -2,-0.3 2,-0.6 -0.996 19.7-125.9-133.3 134.8 4.0 3.6 28.7 29 46 A L E + L 0 35C 1 -15,-2.5 74,-2.4 -2,-0.4 6,-0.2 -0.631 28.2 173.5 -80.0 112.7 5.3 1.5 31.5 30 47 A I E - 0 0 18 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.615 69.1 -11.2-100.1 -16.4 8.7 0.1 30.5 31 48 A N E > S- L 0 34C 51 3,-1.3 3,-0.9 70,-0.1 -1,-0.3 -0.896 89.7 -76.5-159.6-176.5 9.6 -1.5 33.9 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.670 129.1 27.6 -68.7 -7.4 8.2 -1.5 37.5 33 50 A Q T 3 S+ 0 0 58 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.424 109.8 72.3-128.5 3.0 9.7 2.0 38.2 34 51 A W E < -LM 31 89C 7 -3,-0.9 -4,-2.3 55,-0.2 -3,-1.3 -0.990 47.0-171.8-129.2 139.4 10.0 3.8 34.8 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.7 -2,-0.4 2,-0.4 -0.932 13.0-148.8-119.1 134.1 7.6 5.4 32.3 36 53 A V E +LM 28 87C 0 -8,-3.0 -8,-2.2 -2,-0.3 2,-0.2 -0.908 31.2 150.4-110.0 133.2 8.4 6.7 28.9 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.3 -2,-0.4 2,-0.4 -0.778 49.7 -67.5-137.1-171.3 6.4 9.7 27.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.2 -0.804 33.6-136.1 -83.4 132.5 6.7 12.8 25.1 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.794 105.3 65.7 -58.2 -33.2 9.1 15.5 26.3 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 152,-0.0 0.657 93.2 62.0 -67.7 -1.9 6.3 18.0 25.2 41 58 A b G < S+ 0 0 5 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.276 77.7 134.4 -87.8 -11.9 4.1 16.5 28.0 42 59 A Y < + 0 0 133 -3,-1.9 2,-0.3 -5,-0.0 -3,-0.0 -0.428 21.6 149.5 -50.8 132.0 6.7 17.6 30.7 43 60 A K - 0 0 73 -2,-0.1 3,-0.4 0, 0.0 2,-0.2 -0.949 47.1-108.2-143.9 164.3 5.3 19.3 33.9 44 61 A S S S+ 0 0 107 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.513 98.2 36.7 -81.1 147.4 6.2 19.6 37.5 45 62 A G S S+ 0 0 58 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.870 74.5 171.8 76.3 48.5 3.9 17.6 39.8 46 63 A I - 0 0 11 -3,-0.4 21,-2.3 -26,-0.1 2,-0.5 -0.650 17.7-166.7 -87.1 140.6 3.1 14.5 37.9 47 64 A Q E -KN 19 66C 47 -28,-2.8 -28,-2.4 -2,-0.5 2,-0.5 -0.958 18.2-140.5-115.4 127.5 1.2 11.5 39.3 48 65 A V E -KN 18 65C 0 17,-2.7 17,-2.7 -2,-0.5 2,-0.5 -0.683 11.3-156.8 -87.0 132.9 1.3 8.4 37.2 49 66 A R E -KN 17 64C 55 -32,-3.3 -32,-2.4 -2,-0.5 2,-0.3 -0.922 14.5-179.7-115.4 107.2 -2.0 6.4 37.0 50 67 A L E + N 0 63C 1 13,-3.1 13,-1.4 -2,-0.5 -34,-0.1 -0.714 60.8 32.3 -99.2 160.7 -1.6 2.7 36.1 51 69 A G S S+ 0 0 7 -36,-0.4 10,-0.3 -38,-0.4 2,-0.2 0.693 84.3 154.8 70.2 19.4 -4.3 0.1 35.7 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.524 21.2 150.0 -86.2 148.9 -6.8 2.6 34.4 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 4,-0.3 -1,-0.1 0.301 81.3 29.6-127.9 -82.1 -9.8 2.1 32.1 54 72 A N S > S- 0 0 28 80,-0.2 3,-1.0 1,-0.1 -1,-0.4 -0.642 72.7-160.5 -79.7 116.3 -12.3 4.7 33.0 55 73 A I T 3 S+ 0 0 31 78,-2.9 -1,-0.1 -2,-0.7 79,-0.1 0.565 87.0 52.8 -75.7 -2.9 -10.2 7.7 34.2 56 74 A N T 3 S+ 0 0 120 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.293 106.7 57.2-108.5 -4.9 -13.2 9.3 36.1 57 75 A V S < S- 0 0 74 -3,-1.0 2,-0.6 76,-0.2 -4,-0.3 -0.984 76.7-129.1-131.5 140.1 -14.2 6.2 38.1 58 76 A V + 0 0 114 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.637 34.0 168.2 -92.1 113.0 -12.3 4.0 40.6 59 77 A E - 0 0 99 -2,-0.6 -1,-0.2 -5,-0.1 -7,-0.0 0.408 52.9 -95.5-109.2 -4.5 -12.9 0.6 39.3 60 78 A G S S+ 0 0 60 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.258 103.4 74.0 122.6 -24.4 -10.5 -1.6 41.3 61 79 A N + 0 0 56 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.161 67.1 125.7-107.0 1.9 -7.2 -2.2 39.4 62 80 A E - 0 0 36 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.485 36.9-171.6 -68.1 145.9 -5.6 1.3 39.7 63 81 A Q E -N 50 0C 40 -13,-1.4 -13,-3.1 -2,-0.1 2,-0.6 -0.981 7.3-165.5-127.7 121.9 -2.2 2.2 41.1 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.977 16.3 169.4-112.4 116.7 -1.5 5.9 41.6 65 83 A I E -N 48 0C 19 -17,-2.7 -17,-2.7 -2,-0.6 2,-0.1 -0.999 29.0-128.1-131.5 130.9 2.2 6.6 42.2 66 84 A S E -N 47 0C 47 -2,-0.4 25,-3.1 -19,-0.3 26,-0.3 -0.350 28.5-111.5 -73.3 147.5 3.9 10.0 42.2 67 85 A A E -O 90 0C 22 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.660 22.2-168.6 -73.3 138.6 7.0 10.7 40.0 68 86 A S E S+ 0 0 67 21,-3.0 2,-0.3 1,-0.3 22,-0.2 0.723 73.1 7.1 -96.2 -27.8 10.2 11.2 41.9 69 87 A K E -O 89 0C 75 20,-1.2 20,-3.3 2,-0.0 2,-0.4 -0.993 58.1-158.1-153.9 144.3 12.2 12.4 38.9 70 88 A S E -O 88 0C 39 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.986 7.8-167.3-124.2 134.7 11.6 13.4 35.3 71 89 A I E -O 87 0C 35 16,-3.3 16,-2.3 -2,-0.4 2,-0.2 -0.902 4.8-160.4-121.5 109.5 14.3 13.5 32.6 72 90 A V E -O 86 0C 52 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.554 41.8 -87.3 -81.2 142.6 13.7 15.2 29.3 73 91 A H > - 0 0 24 12,-2.3 3,-2.1 -2,-0.2 -1,-0.1 -0.305 35.0-121.7 -44.3 138.9 16.0 14.1 26.4 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.784 109.1 39.0 -54.6 -31.5 19.2 16.1 26.3 75 93 A S T 3 S+ 0 0 68 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.136 76.7 145.2-111.5 19.9 18.4 17.3 22.8 76 94 A Y < - 0 0 55 -3,-2.1 2,-0.6 9,-0.1 7,-0.2 -0.382 30.9-162.0 -66.4 135.9 14.8 17.9 22.8 77 95 A N > - 0 0 67 5,-2.3 4,-2.5 -2,-0.1 5,-0.4 -0.952 6.3-165.3-118.0 106.6 13.8 20.8 20.6 78 96 A S T 4 S+ 0 0 76 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.648 85.6 55.8 -81.4 -4.4 10.4 22.1 21.4 79 97 A N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.860 123.3 23.9 -86.9 -38.2 10.1 24.2 18.2 80 98 A T T 4 S- 0 0 73 2,-0.1 -2,-0.2 3,-0.0 3,-0.1 0.630 96.5-131.3 -97.3 -10.5 10.7 21.2 15.9 81 99 A L >< + 0 0 35 -4,-2.5 3,-0.7 1,-0.3 -3,-0.2 0.529 50.7 157.0 70.9 10.3 9.6 18.4 18.2 82 100 A N T 3 + 0 0 35 -5,-0.4 -5,-2.3 1,-0.2 -1,-0.3 -0.480 66.3 15.2 -65.4 138.9 12.8 16.6 17.4 83 101 A N T 3 S+ 0 0 21 -7,-0.2 2,-1.6 1,-0.2 -1,-0.2 0.931 80.1 177.8 67.4 36.1 13.8 14.1 20.2 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.683 34.8 112.9 -77.7 71.0 10.3 14.3 21.7 85 103 A I + 0 0 0 -2,-1.6 -12,-2.3 -47,-0.2 2,-0.3 -0.976 38.2 178.6-146.2 143.6 10.9 11.7 24.5 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.8 -2,-0.3 2,-0.4 -0.980 19.0-139.1-149.9 146.6 11.1 11.9 28.3 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-3.3 -2,-0.3 2,-0.5 -0.909 14.1-164.8-110.1 132.0 11.6 9.4 31.1 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.2 -2,-0.4 2,-0.5 -0.995 7.4-151.6-118.8 121.7 9.7 9.5 34.4 89 107 A K E -MO 34 69C 39 -20,-3.3 -21,-3.0 -2,-0.5 -20,-1.2 -0.837 16.5-131.2 -94.0 136.2 10.8 7.6 37.5 90 108 A L E - 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