==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-AUG-00 1FMG . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR S.DEEPTHI,A.JOHNSON,V.PATTABHI . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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 . 15 6.7 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 . 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.8 25.8 28.6 8.0 2 17 A V B +A 171 0A 12 169,-2.6 169,-1.5 1,-0.2 123,-0.1 -0.849 360.0 9.8-100.8 131.2 23.3 27.6 10.7 3 18 A G S S+ 0 0 47 121,-0.6 -1,-0.2 -2,-0.4 122,-0.1 0.736 101.2 121.4 82.9 18.2 20.1 29.6 11.2 4 19 A G - 0 0 29 -3,-0.4 2,-0.3 120,-0.1 134,-0.2 -0.063 56.2-119.5 -98.9-161.8 20.6 31.6 8.0 5 20 A Y E -B 137 0B 109 132,-1.8 132,-3.0 -3,-0.1 2,-0.5 -0.928 35.7 -87.3-137.2 159.7 18.6 32.1 4.8 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.587 46.8-128.3 -71.0 121.1 19.3 31.5 1.1 7 22 A a - 0 0 3 128,-2.4 2,-0.1 -2,-0.5 3,-0.1 -0.323 30.4 -96.1 -66.9 153.3 21.0 34.5 -0.4 8 23 A A > - 0 0 68 1,-0.1 3,-2.2 3,-0.1 4,-0.2 -0.424 60.5 -79.6 -61.1 143.7 19.5 36.0 -3.6 9 24 A A T 3 S- 0 0 58 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.145 109.4 -9.9 -49.8 121.2 21.3 34.6 -6.7 10 25 A N T 3 S+ 0 0 25 42,-0.2 -1,-0.3 1,-0.1 43,-0.1 0.688 93.2 128.0 68.5 21.0 24.6 36.4 -7.2 11 26 A S < + 0 0 59 -3,-2.2 -2,-0.1 1,-0.2 -1,-0.1 0.431 69.7 54.2 -90.4 -0.4 23.9 39.1 -4.6 12 27 A I > + 0 0 13 -4,-0.2 3,-1.7 87,-0.1 -1,-0.2 -0.718 69.2 169.6-126.7 69.9 27.2 38.4 -2.9 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.662 70.4 58.6 -75.2 -13.2 29.5 38.9 -5.9 14 29 A Y T 3 S+ 0 0 26 86,-0.2 15,-1.7 88,-0.1 2,-0.2 0.587 81.4 108.7 -83.2 -10.4 32.7 38.9 -3.9 15 30 A Q E < -J 28 0C 4 -3,-1.7 36,-0.4 13,-0.2 37,-0.4 -0.445 48.6-172.4 -73.0 132.5 32.1 35.4 -2.4 16 31 A V E -J 27 0C 0 11,-2.1 11,-1.0 -2,-0.2 2,-0.4 -0.841 18.6-142.1-117.4 162.5 34.3 32.6 -3.7 17 32 A S E -JK 26 49C 1 32,-1.7 32,-2.6 -2,-0.3 2,-0.5 -0.977 14.1-146.0-113.7 128.9 34.3 28.8 -3.3 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.3 -2,-0.4 7,-1.0 -0.893 26.1-174.0 -95.0 135.2 37.7 27.0 -3.0 19 34 A N E +JK 23 47C 10 28,-2.8 28,-2.8 -2,-0.5 4,-0.2 -0.979 31.7 167.3-128.5 133.4 37.6 23.6 -4.7 20 37 A S S S- 0 0 44 2,-2.2 3,-0.1 -2,-0.4 25,-0.0 -0.355 97.8 -36.8-135.0 70.6 39.9 20.6 -5.0 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 0, 0.0 -2,-0.0 -0.355 142.3 17.8 105.5 -46.0 37.5 18.0 -6.3 22 39 A S S S- 0 0 83 -4,-0.0 -2,-2.2 0, 0.0 2,-0.1 -0.961 99.7 -77.2-143.9 167.0 34.9 19.5 -4.0 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.375 50.4 157.7 -53.1 127.4 34.1 22.7 -2.1 24 41 A F E + 0 0 34 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.546 58.3 1.6-129.8 -20.2 36.1 22.9 1.1 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.976 62.5-121.8-156.8 167.3 36.4 26.6 2.1 26 43 A G E +J 17 0C 2 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.381 24.1 177.3-104.0-172.9 35.3 30.1 1.1 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.1 -2,-0.1 2,-0.4 -0.938 23.2-118.5-174.6-179.5 37.2 33.2 0.3 28 45 A S E -JL 15 36C 1 8,-1.6 8,-2.9 -2,-0.3 2,-0.6 -0.988 20.0-126.2-142.3 134.2 36.6 36.8 -0.8 29 46 A L E + L 0 35C 0 -15,-1.7 74,-2.0 -2,-0.4 6,-0.2 -0.805 31.2 168.8 -80.6 120.5 37.8 38.6 -4.0 30 47 A I E + 0 0 20 4,-1.9 2,-0.3 -2,-0.6 5,-0.2 0.591 68.8 1.5-113.9 -16.4 39.7 41.8 -3.0 31 48 A N E > S- L 0 34C 52 3,-1.4 3,-0.5 70,-0.1 -1,-0.3 -0.930 87.3 -88.5-151.4-178.6 41.1 42.6 -6.4 32 49 A S T 3 S+ 0 0 42 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.790 125.2 29.5 -67.8 -20.4 41.0 41.1 -9.9 33 50 A Q T 3 S+ 0 0 74 60,-0.2 57,-2.4 1,-0.1 2,-0.4 0.504 111.2 65.5-111.9 -3.0 44.0 38.8 -9.2 34 51 A W E < -LM 31 89C 3 -3,-0.5 -4,-1.9 55,-0.2 -3,-1.4 -0.987 50.1-167.4-134.6 133.9 43.9 38.1 -5.4 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.4 -0.899 14.9-144.3-110.0 135.7 41.5 36.2 -3.0 36 53 A V E +LM 28 87C 0 -8,-2.9 -8,-1.6 -2,-0.4 2,-0.2 -0.915 33.6 146.1-100.9 137.3 41.7 36.3 0.8 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.5 -2,-0.4 2,-0.4 -0.743 49.3 -66.4-146.1-168.2 40.9 33.2 2.9 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.776 29.6-137.6 -95.9 130.6 41.9 31.4 6.1 39 56 A A G > S+ 0 0 4 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.810 103.8 65.0 -54.5 -32.9 45.4 29.9 6.6 40 57 A H G 3 S+ 0 0 73 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.640 92.9 63.4 -70.5 -11.0 43.8 26.8 8.2 41 58 A b G < S+ 0 0 2 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.432 76.3 140.3 -85.8 -1.6 42.2 26.1 4.8 42 59 A Y < + 0 0 117 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.1 -0.076 14.8 155.3 -49.9 132.1 45.6 25.6 3.1 43 60 A K - 0 0 84 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.939 45.7-121.8-141.7 165.9 45.9 22.8 0.6 44 61 A S S S+ 0 0 100 -2,-0.3 2,-0.5 1,-0.2 -2,-0.0 0.670 97.8 44.0 -98.0 -8.3 48.6 22.9 -2.2 45 62 A R S S+ 0 0 122 2,-0.0 2,-0.4 -25,-0.0 -1,-0.2 -0.995 71.9 166.2-119.1 124.3 46.3 22.7 -5.3 46 63 A I - 0 0 5 -2,-0.5 21,-2.3 21,-0.2 2,-0.5 -0.999 23.8-155.6-131.0 139.5 43.2 24.9 -5.2 47 64 A Q E -KN 19 66C 36 -28,-2.8 -28,-2.8 -2,-0.4 2,-0.5 -0.967 17.5-142.9-105.4 131.2 40.8 25.9 -7.9 48 65 A V E -KN 18 65C 0 17,-2.8 17,-2.7 -2,-0.5 2,-0.6 -0.790 9.7-159.6 -91.3 126.7 38.9 29.2 -7.3 49 66 A R E -KN 17 64C 53 -32,-2.6 -32,-1.7 -2,-0.5 3,-0.3 -0.931 13.0-174.7-112.9 111.9 35.2 29.3 -8.4 50 67 A L E + N 0 63C 1 13,-2.7 13,-2.2 -2,-0.6 -34,-0.1 -0.699 61.1 29.1 -99.2 155.6 33.9 32.8 -8.9 51 69 A G S S+ 0 0 3 -36,-0.4 2,-0.2 -38,-0.3 10,-0.2 0.653 83.9 153.9 70.9 20.7 30.4 33.8 -9.7 52 70 A E + 0 0 11 -37,-0.4 -1,-0.2 -3,-0.3 -42,-0.2 -0.523 22.3 152.8 -78.3 142.9 28.8 30.8 -8.1 53 71 A H S S+ 0 0 18 1,-0.3 82,-1.1 -2,-0.2 2,-0.7 0.520 79.3 34.1-121.1 -53.9 25.3 30.5 -6.6 54 72 A N B > -P 134 0D 32 3,-0.2 3,-1.4 80,-0.2 -1,-0.3 -0.886 68.3-164.3-101.9 108.3 24.5 26.7 -6.8 55 73 A I T 3 S+ 0 0 34 78,-2.2 -1,-0.1 -2,-0.7 79,-0.1 0.654 83.6 55.7 -71.1 -9.9 27.7 24.8 -6.4 56 74 A D T 3 S+ 0 0 119 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.404 104.5 51.0-101.6 -1.6 26.2 21.6 -7.8 57 75 A V S < S- 0 0 81 -3,-1.4 2,-0.6 76,-0.1 -3,-0.2 -0.991 80.0-122.1-140.9 130.8 25.0 22.8 -11.2 58 76 A L + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.602 34.6 173.3 -77.6 119.2 26.8 24.8 -13.9 59 77 A E - 0 0 73 -2,-0.6 -1,-0.2 -5,-0.1 -7,-0.0 0.690 43.5-114.3-109.8 -24.6 24.7 27.9 -14.3 60 78 A G S S+ 0 0 61 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.409 97.2 84.6 112.0 2.9 26.7 29.9 -16.7 61 79 A N S S+ 0 0 53 -10,-0.2 2,-0.1 38,-0.0 38,-0.1 0.316 71.0 114.4 -95.2 5.3 27.9 33.0 -14.8 62 80 A E - 0 0 27 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.396 46.7-166.3 -84.4 150.2 30.8 31.0 -13.3 63 81 A Q E -N 50 0C 37 -13,-2.2 -13,-2.7 -2,-0.1 2,-0.6 -0.988 8.0-161.4-126.1 130.3 34.5 31.5 -13.9 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.934 17.6 169.9-112.0 119.5 36.9 28.7 -12.7 65 83 A I E -N 48 0C 18 -17,-2.7 -17,-2.8 -2,-0.6 2,-0.2 -0.993 27.9-126.8-136.8 136.1 40.5 29.8 -12.3 66 84 A N E -N 47 0C 81 -2,-0.4 25,-2.3 -19,-0.2 2,-0.2 -0.512 29.0-108.1 -85.5 152.8 43.4 27.9 -10.7 67 85 A A E -O 90 0C 24 -21,-2.3 23,-0.2 23,-0.2 -21,-0.2 -0.547 27.3-174.8 -76.2 133.5 45.6 29.3 -8.0 68 86 A A E S+ 0 0 63 21,-3.4 2,-0.3 1,-0.3 22,-0.2 0.699 73.0 18.5 -96.2 -32.4 49.1 30.2 -9.1 69 87 A K E -O 89 0C 84 20,-1.5 20,-2.0 2,-0.0 2,-0.4 -0.996 59.4-164.7-140.3 141.3 50.5 31.2 -5.7 70 88 A I E -O 88 0C 40 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.991 12.0-175.2-127.5 119.1 49.3 30.4 -2.1 71 89 A I E -O 87 0C 38 16,-2.9 16,-2.7 -2,-0.4 2,-0.3 -0.940 5.4-164.6-125.9 106.6 50.8 32.6 0.6 72 90 A T E -O 86 0C 59 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.689 38.8 -92.7 -91.3 149.0 50.0 31.9 4.3 73 91 A H > - 0 0 19 12,-1.9 3,-2.1 10,-0.3 -1,-0.1 -0.369 32.4-130.1 -64.3 133.9 50.8 34.6 7.0 74 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.646 105.4 47.7 -63.3 -21.0 54.3 33.9 8.4 75 93 A N T 3 S+ 0 0 104 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.205 75.5 140.0-104.0 18.2 53.0 34.1 12.0 76 94 A F < - 0 0 62 -3,-2.1 2,-0.5 9,-0.1 7,-0.2 -0.450 38.6-156.4 -57.4 132.7 50.0 31.8 11.5 77 95 A N > - 0 0 69 5,-2.1 4,-2.8 -2,-0.1 5,-0.4 -0.957 12.0-162.8-116.6 111.7 49.8 29.7 14.7 78 96 A G T 4 S+ 0 0 56 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.662 90.0 53.7 -74.2 -14.9 47.9 26.3 14.2 79 97 A N T 4 S+ 0 0 140 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.912 124.7 19.5 -80.1 -52.0 47.5 26.0 18.0 80 98 A T T 4 S- 0 0 55 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.728 94.9-131.1 -91.4 -14.2 45.9 29.4 18.9 81 99 A L >< + 0 0 39 -4,-2.8 3,-0.8 1,-0.3 2,-0.2 0.667 50.4 158.2 68.3 19.0 44.7 30.1 15.3 82 100 A D T 3 + 0 0 34 -5,-0.4 -5,-2.1 1,-0.2 -1,-0.3 -0.524 64.4 19.0 -73.1 147.3 46.2 33.6 15.6 83 101 A N T 3 S+ 0 0 15 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.879 77.8 175.1 46.7 52.3 46.9 35.2 12.2 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.519 34.1 116.7 -83.6 81.4 44.5 32.8 10.5 85 103 A I - 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