==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-SEP-01 1K1P . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9344.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 75 33.6 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 . 13 5.8 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 . 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 . 5 1 2 6 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,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 124.2 51.9 14.3 49.1 2 17 A V B +A 171 0A 8 169,-2.8 169,-1.6 1,-0.2 123,-0.1 -0.888 360.0 4.7-104.5 132.7 54.1 14.3 52.2 3 18 A G S S+ 0 0 44 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.771 103.1 121.5 68.1 27.6 55.9 11.1 53.1 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 134,-0.1 134,-0.2 -0.190 55.9-114.5-104.3-161.1 54.7 9.2 50.0 5 20 A Y E -B 137 0B 91 132,-2.5 132,-3.4 -2,-0.1 2,-0.4 -0.930 34.4 -89.2-137.0 158.7 56.4 7.4 47.1 6 21 A T E -B 136 0B 69 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.574 34.0-150.5 -69.6 121.6 56.7 8.0 43.3 7 22 A a - 0 0 19 128,-1.7 -1,-0.2 -2,-0.4 129,-0.1 0.933 37.4-116.3 -58.3 -49.6 53.7 6.1 41.8 8 23 A G > - 0 0 26 127,-0.5 3,-2.0 -3,-0.1 4,-0.3 -0.048 47.8 -48.1 114.9 140.0 55.5 5.3 38.6 9 24 A A T 3 S- 0 0 59 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.100 120.9 -15.7 -44.1 116.5 54.6 6.5 35.1 10 25 A N T 3 S+ 0 0 30 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.686 88.8 130.6 59.4 28.8 50.8 6.0 34.5 11 26 A T S < S+ 0 0 83 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.637 76.9 48.1 -82.1 -13.6 50.2 3.6 37.3 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.0 1,-0.1 -1,-0.3 -0.652 72.7 173.7-124.3 72.0 47.2 5.8 38.3 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-0.9 0, 0.0 38,-0.3 0.651 72.3 59.4 -55.9 -22.7 45.5 6.2 34.9 14 29 A Y T 3 S+ 0 0 25 86,-0.2 15,-2.1 88,-0.1 2,-0.2 0.541 80.5 108.3 -85.8 -8.3 42.4 8.0 36.3 15 30 A Q E < -J 28 0C 5 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.503 49.0-172.5 -72.8 133.6 44.5 10.9 37.8 16 31 A V E -JK 27 50C 0 11,-2.3 11,-1.0 -2,-0.2 2,-0.5 -0.895 18.5-138.5-126.4 156.8 44.2 14.2 36.0 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.6 -0.974 13.2-144.1-115.2 125.1 45.9 17.5 36.3 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.4 -2,-0.5 7,-1.0 -0.828 26.1-167.7 -88.9 123.5 43.9 20.7 36.1 19 34 A N E +JK 23 47C 22 28,-3.0 28,-2.3 -2,-0.6 4,-0.2 -0.946 32.1 167.4-122.8 132.4 46.0 23.3 34.3 20 37 A S S S- 0 0 32 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.291 96.8 -47.8-131.0 46.7 45.6 27.1 33.9 21 38 A G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.264 140.0 27.2 102.4 -6.7 49.1 27.8 32.5 22 39 A Y S S- 0 0 134 -4,-0.0 -2,-2.4 0, 0.0 2,-0.3 -0.928 103.9 -77.5-171.2 162.2 50.4 25.6 35.4 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.557 51.2 157.5 -73.2 133.0 49.2 22.8 37.5 24 41 A F E + 0 0 31 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.507 59.9 3.3-132.9 -12.4 46.8 24.0 40.2 25 42 A b E -J 18 0C 5 -7,-1.0 -7,-3.2 151,-0.1 -1,-0.4 -0.979 60.8-124.9-167.4 160.7 44.6 21.0 41.2 26 43 A G E +J 17 0C 2 151,-3.6 12,-0.3 -2,-0.3 2,-0.3 -0.386 28.0 175.6-100.8-175.0 44.1 17.3 40.6 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.3 -2,-0.1 2,-0.4 -0.970 25.1-111.5-176.7 172.8 41.0 15.4 39.5 28 45 A S E -JL 15 36C 2 8,-2.3 8,-2.8 -2,-0.3 2,-0.5 -0.987 18.6-133.3-128.4 134.1 39.5 12.0 38.5 29 46 A L E + L 0 35C 0 -15,-2.1 74,-2.4 -2,-0.4 6,-0.2 -0.714 24.0 175.9 -82.1 121.6 38.2 10.8 35.2 30 47 A I E - 0 0 21 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.598 69.5 -15.3-101.9 -16.3 34.9 9.1 35.7 31 48 A N E > S- L 0 34C 45 3,-1.1 3,-0.8 70,-0.1 -1,-0.4 -0.922 89.8 -73.9-168.9 176.3 34.1 8.5 32.0 32 49 A S T 3 S+ 0 0 35 -2,-0.3 62,-2.6 1,-0.2 60,-0.1 0.655 128.5 31.6 -60.1 -17.5 35.4 9.7 28.7 33 50 A Q T 3 S+ 0 0 81 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.498 109.7 68.3-118.2 -4.0 33.7 13.1 29.0 34 51 A W E < -LM 31 89C 10 -3,-0.8 -4,-2.5 55,-0.2 -3,-1.1 -0.954 47.0-172.9-131.9 141.8 33.7 13.9 32.7 35 52 A V E -LM 29 88C 0 53,-2.7 53,-2.7 -2,-0.4 2,-0.5 -0.936 14.5-147.9-124.8 137.7 36.1 14.7 35.5 36 53 A V E +LM 28 87C 1 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.2 -0.932 31.4 148.4-106.9 136.0 35.3 15.1 39.2 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.5 -2,-0.5 2,-0.4 -0.729 47.4 -70.1-144.6-168.3 37.3 17.5 41.4 38 55 A A > - 0 0 0 -12,-0.3 3,-1.9 47,-0.3 47,-0.3 -0.789 31.1-130.7 -98.6 144.3 36.8 19.7 44.4 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.780 105.7 62.7 -54.8 -39.9 34.7 22.9 44.4 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.513 95.7 63.7 -68.3 -4.4 37.5 25.0 46.0 41 58 A b G < S+ 0 0 4 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.489 76.3 136.8 -93.8 -7.0 39.5 24.3 42.8 42 59 A Y < + 0 0 135 -3,-1.9 2,-0.3 -4,-0.2 -3,-0.1 -0.102 22.0 149.0 -47.8 132.9 36.9 26.1 40.7 43 60 A K - 0 0 59 3,-0.0 2,-0.3 0, 0.0 3,-0.3 -0.975 44.1-114.8-161.6 158.2 38.4 28.4 38.1 44 61 A S S S+ 0 0 102 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.789 93.4 34.8 -98.9 144.7 37.6 29.7 34.6 45 62 A G S S+ 0 0 63 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.935 77.7 171.2 78.6 52.0 39.8 28.7 31.7 46 63 A I - 0 0 11 -3,-0.3 21,-2.2 21,-0.1 2,-0.5 -0.761 21.6-165.3-101.6 135.4 40.7 25.2 32.7 47 64 A Q E -KN 19 66C 49 -28,-2.3 -28,-3.0 -2,-0.4 2,-0.5 -0.968 17.6-140.5-114.4 132.7 42.6 22.6 30.5 48 65 A V E -KN 18 65C 0 17,-3.4 17,-2.7 -2,-0.5 2,-0.6 -0.839 12.2-157.9 -96.2 125.3 42.4 19.0 31.7 49 66 A R E -KN 17 64C 53 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.937 13.0-176.0-110.3 117.1 45.6 17.1 31.3 50 67 A L E +KN 16 63C 3 13,-2.8 13,-1.8 -2,-0.6 -34,-0.1 -0.745 60.2 30.9-108.9 156.7 45.3 13.3 31.1 51 69 A G S S+ 0 0 5 -36,-0.5 10,-0.3 -38,-0.3 2,-0.3 0.799 84.4 156.1 67.4 32.3 48.0 10.6 31.0 52 70 A E + 0 0 12 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.620 22.8 149.4 -95.7 145.7 50.4 12.7 32.9 53 71 A D S S+ 0 0 14 1,-0.5 2,-0.7 4,-0.3 82,-0.4 0.367 80.0 31.5-128.9 -75.4 53.4 11.6 35.0 54 72 A N S > S- 0 0 30 3,-0.2 3,-0.7 80,-0.2 -1,-0.5 -0.823 71.8-161.1 -88.6 116.1 56.0 14.4 34.8 55 73 A I T 3 S+ 0 0 33 78,-2.3 -1,-0.1 -2,-0.7 79,-0.1 0.549 87.1 51.3 -75.7 -8.2 54.0 17.6 34.4 56 74 A N T 3 S+ 0 0 118 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.403 106.0 61.5-106.1 -2.8 56.9 19.6 33.1 57 75 A V S < S- 0 0 73 -3,-0.7 2,-0.8 76,-0.2 -4,-0.3 -0.991 75.7-133.1-130.6 132.2 57.9 17.1 30.4 58 76 A V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.733 30.5 171.5 -82.2 112.1 56.0 15.9 27.4 59 77 A E - 0 0 97 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.484 51.4-102.8-101.6 -7.7 56.5 12.1 27.5 60 78 A G S S+ 0 0 58 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.213 101.5 80.7 109.4 -16.9 54.1 11.0 24.8 61 79 A N + 0 0 58 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.315 65.5 118.7-107.1 12.5 51.0 9.7 26.6 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.377 43.0-164.9 -81.9 155.4 49.3 13.0 27.4 63 81 A Q E -N 50 0C 37 -13,-1.8 -13,-2.8 -2,-0.1 2,-0.6 -0.986 7.3-161.3-137.9 116.4 45.9 14.2 26.2 64 82 A F E +N 49 0C 82 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.936 19.2 168.6-105.2 114.7 45.2 17.9 26.7 65 83 A I E -N 48 0C 14 -17,-2.7 -17,-3.4 -2,-0.6 2,-0.1 -0.992 28.3-128.9-131.7 133.2 41.5 18.7 26.5 66 84 A S E -N 47 0C 55 -2,-0.4 25,-3.0 -19,-0.3 2,-0.4 -0.431 26.7-112.6 -77.4 152.9 39.7 22.0 27.4 67 85 A A E -O 90 0C 22 -21,-2.2 23,-0.3 23,-0.2 -21,-0.1 -0.691 20.9-167.5 -85.7 134.2 36.7 22.1 29.7 68 86 A S E S- 0 0 62 21,-3.0 2,-0.3 -2,-0.4 22,-0.2 0.723 72.5 -0.9 -90.5 -29.4 33.4 23.0 28.1 69 87 A K E -O 89 0C 83 20,-1.1 20,-2.8 2,-0.0 2,-0.4 -0.975 57.3-152.1-162.0 149.0 31.6 23.5 31.4 70 88 A S E -O 88 0C 43 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.967 7.1-166.1-124.8 139.4 32.0 23.3 35.1 71 89 A I E -O 87 0C 36 16,-2.6 16,-2.5 -2,-0.4 2,-0.3 -0.956 5.8-159.9-130.9 109.5 29.3 22.6 37.7 72 90 A V E -O 86 0C 46 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.662 42.8 -87.2 -84.3 143.6 30.0 23.3 41.4 73 91 A H > - 0 0 22 12,-2.3 3,-1.8 10,-0.3 -1,-0.1 -0.236 36.2-123.8 -50.7 137.7 27.7 21.5 43.8 74 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.752 108.6 42.7 -57.2 -27.3 24.5 23.5 44.5 75 93 A S T 3 S+ 0 0 72 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.126 79.3 145.4-108.8 21.8 25.1 23.6 48.2 76 94 A Y < - 0 0 57 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.364 32.9-158.8 -63.3 133.2 28.9 24.2 48.3 77 95 A N B >> -P 82 0D 64 5,-2.1 4,-2.5 1,-0.1 5,-0.5 -0.941 7.8-164.3-117.4 110.9 30.0 26.4 51.2 78 96 A S T 45S+ 0 0 82 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.606 86.6 56.0 -69.2 -14.7 33.3 28.1 50.7 79 97 A N T 45S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.873 124.4 18.4 -84.6 -40.8 33.7 28.9 54.4 80 98 A T T 45S- 0 0 76 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.579 95.8-127.6-104.2 -15.7 33.4 25.4 55.8 81 99 A L T ><5 + 0 0 32 -4,-2.5 3,-0.9 1,-0.3 2,-0.2 0.733 49.9 159.8 70.8 24.7 34.1 23.4 52.6 82 100 A N B 3 < +P 77 0D 35 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.3 -0.599 68.3 17.0 -75.5 137.7 30.9 21.4 53.1 83 101 A N T 3 S+ 0 0 18 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.868 80.6 177.6 64.5 41.9 29.9 19.8 49.7 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.491 33.3 115.2 -78.2 76.7 33.4 20.4 48.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.998 36.3 178.7-150.0 143.2 32.8 18.8 44.9 86 104 A M E -MO 37 72C 0 -49,-2.5 -49,-2.8 -2,-0.3 2,-0.4 -0.983 17.9-141.0-144.8 148.2 32.6 19.9 41.3 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.6 -2,-0.3 2,-0.4 -0.915 13.6-163.3-113.1 140.4 32.1 18.3 37.9 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.7 -2,-0.4 2,-0.5 -0.992 5.9-151.9-127.8 127.2 34.0 19.2 34.7 89 107 A K E -MO 34 69C 40 -20,-2.8 -21,-3.0 -2,-0.4 -20,-1.1 -0.850 15.9-132.6-101.8 133.1 32.9 18.3 31.2 90 108 A L E - 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0 0 29 -88,-0.9 -72,-0.3 -2,-0.4 2,-0.2 -0.932 41.0-112.3-138.3 160.6 41.2 5.2 32.2 102 120 A S - 0 0 54 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.2 -0.548 22.4-133.3 -92.9 156.9 38.2 6.0 34.3 103 121 A I - 0 0 15 -74,-2.4 2,-0.2 -2,-0.2 83,-0.1 -0.880 24.6-117.7-109.2 140.5 37.6 5.2 38.0 104 122 A S B -c 186 0B 64 81,-0.6 83,-2.6 -2,-0.4 -73,-0.1 -0.481 23.1-120.1 -78.2 149.1 34.3 3.7 39.2 105 123 A L - 0 0 32 81,-0.2 83,-0.1 -2,-0.2 -1,-0.1 -0.539 39.8 -93.6 -83.0 154.7 31.9 5.5 41.6 106 124 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.335 16.7-155.6 -70.1 147.5 31.1 3.8 45.0 107 125 A T S S- 0 0 134 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.568 85.4 -3.8 -93.7 -13.2 28.1 1.6 45.5 108 127 A S S S- 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 -0.948 89.8 -80.7-164.6 169.7 28.3 2.4 49.2 109 128 A c - 0 0 54 -2,-0.3 2,-0.1 -3,-0.1 79,-0.0 -0.629 48.2-116.1 -82.9 142.6 30.5 4.3 51.7 110 129 A A - 0 0 32 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.408 28.0-115.8 -76.6 155.2 33.7 2.5 52.9 111 130 A S > - 0 0 84 1,-0.1 3,-1.6 -2,-0.1 31,-0.3 -0.436 37.2 -85.9 -88.8 161.5 34.2 1.5 56.5 112 132 A A T 3 S+ 0 0 59 1,-0.2 31,-0.2 -2,-0.1 -1,-0.1 -0.316 114.9 37.9 -61.8 149.0 36.9 2.9 58.9 113 133 A G T 3 S+ 0 0 55 29,-3.2 -1,-0.2 1,-0.3 2,-0.1 0.172 81.4 135.9 93.0 -19.4 40.1 0.9 58.6 114 134 A T < - 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