==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-APR-99 1QB6 . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.WHITLOW . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 58.7 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 . 67 30.0 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 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 . 2 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 7 A I 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.9 3.1 14.3 23.8 2 8 A V B +A 171 0A 9 169,-3.2 169,-1.6 1,-0.2 123,-0.1 -0.878 360.0 5.1-106.9 136.1 0.9 14.2 20.7 3 9 A G S S+ 0 0 43 121,-0.6 -1,-0.2 -2,-0.4 169,-0.1 0.624 102.4 121.9 67.3 24.3 -0.9 11.0 19.7 4 10 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.080 55.0-112.4 -98.1-159.8 0.3 9.1 22.8 5 11 A Y E -B 137 0B 105 132,-2.7 132,-3.1 -3,-0.1 2,-0.6 -0.903 33.8 -88.0-132.8 162.9 -1.4 7.3 25.7 6 12 A T E -B 136 0B 77 -2,-0.3 130,-0.2 130,-0.2 3,-0.0 -0.558 35.3-152.2 -72.9 118.2 -1.9 7.7 29.4 7 13 A a - 0 0 15 128,-1.7 -1,-0.2 -2,-0.6 2,-0.1 0.903 35.2-116.4 -56.9 -45.7 1.1 5.9 31.0 8 14 A G > - 0 0 28 127,-0.4 3,-1.4 -3,-0.1 4,-0.3 -0.004 47.9 -55.8 108.9 144.0 -0.6 4.9 34.2 9 15 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 -2,-0.1 43,-0.1 -0.235 119.0 -9.1 -56.4 129.1 0.5 6.3 37.6 10 16 A N T 3 S+ 0 0 30 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.735 90.3 125.3 49.5 39.1 4.2 5.7 38.4 11 17 A T S < S+ 0 0 94 -3,-1.4 -2,-0.1 1,-0.3 -1,-0.1 0.631 77.4 48.6 -90.6 -17.1 4.8 3.3 35.4 12 18 A V S > S+ 0 0 7 -4,-0.3 3,-1.3 1,-0.1 -1,-0.3 -0.784 75.0 173.0-120.4 76.3 7.7 5.6 34.4 13 19 A P T 3 + 0 0 29 0, 0.0 88,-0.6 0, 0.0 38,-0.4 0.735 70.0 57.0 -62.5 -31.2 9.4 5.8 37.7 14 20 A Y T 3 S+ 0 0 25 86,-0.2 15,-1.8 88,-0.1 2,-0.4 0.467 80.7 112.7 -81.5 -4.7 12.5 7.7 36.6 15 21 A Q E < -J 28 0C 5 -3,-1.3 36,-0.4 13,-0.2 37,-0.3 -0.612 48.0-168.2 -76.1 129.2 10.5 10.6 35.1 16 22 A V E -J 27 0C 2 11,-2.6 11,-1.2 -2,-0.4 2,-0.5 -0.783 16.1-143.0-118.5 148.1 10.9 13.9 36.8 17 23 A S E -JK 26 49C 1 32,-1.8 32,-3.0 -2,-0.3 2,-0.5 -0.966 15.2-143.8-106.3 131.1 9.0 17.2 36.6 18 24 A L E -JK 25 48C 0 7,-3.2 6,-2.1 -2,-0.5 7,-0.9 -0.861 24.1-168.3 -95.3 125.6 11.1 20.4 36.8 19 25 A N E +JK 23 47C 22 28,-2.4 28,-2.4 -2,-0.5 4,-0.2 -0.972 32.2 166.4-126.6 137.0 9.1 23.1 38.7 20 26 A S S S- 0 0 31 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.189 98.2 -47.1-133.8 38.1 9.6 26.9 39.2 21 27 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.138 140.4 29.3 110.1 -6.1 6.1 27.6 40.6 22 28 A Y S S- 0 0 134 -4,-0.0 -2,-2.3 0, 0.0 2,-0.2 -0.935 101.9 -81.6-168.9 160.3 4.8 25.5 37.7 23 29 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.488 51.0 157.1 -73.7 131.9 5.9 22.6 35.5 24 30 A F E + 0 0 35 -6,-2.1 2,-0.3 1,-0.4 151,-0.2 0.562 58.6 7.4-133.2 -20.0 8.2 23.8 32.8 25 31 A b E -J 18 0C 7 -7,-0.9 -7,-3.2 151,-0.1 -1,-0.4 -0.973 62.0-120.3-161.5 163.6 10.3 20.8 31.7 26 32 A G E +J 17 0C 0 151,-3.1 12,-0.3 -2,-0.3 2,-0.3 -0.412 30.4 179.3 -97.9 175.8 10.8 17.0 32.2 27 33 A G E -J 16 0C 0 -11,-1.2 -11,-2.6 -2,-0.1 2,-0.4 -0.945 22.2-120.2-169.3 172.4 14.0 15.2 33.5 28 34 A S E -JL 15 36C 3 8,-2.3 8,-3.0 -2,-0.3 2,-0.6 -0.996 15.8-136.2-130.3 135.3 15.5 11.9 34.3 29 35 A L E + L 0 35C 1 -15,-1.8 74,-2.4 -2,-0.4 6,-0.2 -0.793 23.4 173.9 -92.4 121.5 16.8 10.5 37.6 30 36 A I E - 0 0 20 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.515 68.4 -10.0-104.2 -8.3 20.1 8.7 37.1 31 37 A N E > S- L 0 34C 56 3,-1.1 3,-0.7 70,-0.1 -1,-0.3 -0.912 89.5 -77.2-171.7 173.9 21.0 8.1 40.7 32 38 A S T 3 S+ 0 0 37 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.697 128.4 32.2 -60.1 -23.6 19.7 9.2 44.1 33 39 A Q T 3 S+ 0 0 84 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.490 109.8 67.3-112.2 -5.3 21.3 12.6 43.8 34 40 A W E < -LM 31 89C 8 -3,-0.7 -4,-2.3 55,-0.2 -3,-1.1 -0.943 46.1-172.9-129.5 145.9 21.3 13.5 40.1 35 41 A V E -LM 29 88C 0 53,-2.2 53,-2.3 -2,-0.4 2,-0.4 -0.963 15.2-147.7-126.4 142.3 18.9 14.4 37.3 36 42 A V E +LM 28 87C 0 -8,-3.0 -8,-2.3 -2,-0.4 2,-0.2 -0.926 32.5 148.0-107.9 141.6 19.7 14.8 33.6 37 43 A S E - M 0 86C 0 49,-2.6 49,-2.5 -2,-0.4 2,-0.3 -0.788 49.2 -65.8-150.7-166.7 17.6 17.3 31.6 38 44 A A > - 0 0 0 -12,-0.3 3,-1.3 47,-0.3 47,-0.3 -0.666 30.7-135.1 -93.5 140.5 18.1 19.7 28.6 39 45 A A G > S+ 0 0 4 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.828 106.0 64.6 -59.3 -34.7 20.3 22.7 28.9 40 46 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.654 94.4 63.0 -69.5 -8.3 17.6 24.8 27.2 41 47 A b G < S+ 0 0 4 -3,-1.3 -1,-0.3 -15,-0.0 -2,-0.2 0.390 76.5 136.8 -91.8 -2.9 15.5 24.1 30.4 42 48 A Y < + 0 0 130 -3,-2.1 2,-0.3 -5,-0.0 -3,-0.1 -0.181 21.6 153.5 -54.0 133.3 18.1 25.9 32.6 43 49 A K - 0 0 52 3,-0.0 3,-0.4 0, 0.0 2,-0.4 -0.979 45.5-111.6-157.9 154.9 16.6 28.2 35.2 44 50 A S S S+ 0 0 102 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.734 97.9 27.1 -89.8 134.5 17.6 29.5 38.6 45 51 A G S S+ 0 0 65 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.887 75.4 172.1 79.5 50.2 15.4 28.1 41.4 46 52 A I - 0 0 7 -3,-0.4 21,-2.0 -26,-0.1 2,-0.4 -0.695 19.9-158.6 -89.8 142.2 14.3 24.7 40.3 47 53 A Q E -KN 19 66C 48 -28,-2.4 -28,-2.4 -2,-0.3 2,-0.5 -0.992 16.7-138.3-116.3 125.9 12.5 22.2 42.5 48 54 A V E -KN 18 65C 0 17,-3.4 17,-2.8 -2,-0.4 2,-0.6 -0.707 13.8-158.5 -87.1 123.8 12.6 18.5 41.3 49 55 A R E -KN 17 64C 51 -32,-3.0 -32,-1.8 -2,-0.5 3,-0.3 -0.886 13.4-177.8-112.6 112.6 9.3 16.6 41.6 50 56 A L E + N 0 63C 2 13,-2.8 13,-1.6 -2,-0.6 -34,-0.1 -0.696 60.1 28.6-103.4 164.0 9.6 12.8 41.7 51 57 A G S S+ 0 0 6 -38,-0.4 10,-0.3 -36,-0.4 -1,-0.2 0.518 84.4 156.6 64.4 14.8 6.9 10.1 41.9 52 58 A E + 0 0 9 -37,-0.3 -42,-0.3 -3,-0.3 -1,-0.2 -0.410 22.4 153.2 -76.3 138.6 4.4 12.3 40.1 53 59 A D S S+ 0 0 16 1,-0.5 2,-0.7 4,-0.3 82,-0.2 0.427 79.9 30.5-118.9 -81.3 1.4 11.3 38.1 54 60 A N S > S- 0 0 31 80,-0.2 3,-1.1 1,-0.1 -1,-0.5 -0.788 72.9-156.9 -84.0 113.4 -1.1 14.2 38.2 55 61 A I T 3 S+ 0 0 30 78,-2.3 -1,-0.1 -2,-0.7 79,-0.1 0.488 90.4 48.4 -71.2 -7.0 1.1 17.3 38.4 56 62 A N T 3 S+ 0 0 118 77,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.264 104.6 64.1-116.4 1.7 -1.8 19.3 40.0 57 63 A V S < S- 0 0 68 -3,-1.1 2,-0.8 76,-0.2 -4,-0.3 -0.997 75.2-133.9-132.4 133.7 -2.9 16.8 42.6 58 64 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.821 31.6 171.7 -87.8 110.9 -1.0 15.6 45.6 59 65 A E - 0 0 91 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.496 51.0-100.6-102.6 -7.2 -1.6 11.8 45.4 60 66 A G S S+ 0 0 59 0, 0.0 -8,-0.1 0, 0.0 -2,-0.1 0.119 103.3 78.0 112.2 -24.9 0.8 10.5 48.0 61 67 A N + 0 0 56 -10,-0.3 2,-0.2 38,-0.0 -9,-0.1 0.305 66.1 118.8-104.2 13.5 3.9 9.2 46.3 62 68 A E - 0 0 33 -11,-0.1 2,-0.4 -13,-0.0 -11,-0.2 -0.474 42.1-167.0 -83.2 148.8 5.6 12.6 45.5 63 69 A Q E -N 50 0C 34 -13,-1.6 -13,-2.8 -2,-0.2 2,-0.6 -0.989 10.1-160.9-131.2 111.1 9.0 13.7 46.8 64 70 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.919 18.0 173.9-101.0 113.0 9.6 17.5 46.2 65 71 A I E -N 48 0C 16 -17,-2.8 -17,-3.4 -2,-0.6 -2,-0.0 -0.982 26.1-131.3-130.4 129.7 13.3 18.4 46.4 66 72 A S E -N 47 0C 66 -2,-0.4 25,-2.7 -19,-0.3 2,-0.3 -0.286 28.7-113.4 -69.0 152.9 15.2 21.6 45.7 67 73 A A E -O 90 0C 28 -21,-2.0 23,-0.3 23,-0.2 3,-0.1 -0.702 22.1-170.9 -89.6 137.7 18.2 21.7 43.4 68 74 A S E S+ 0 0 73 21,-3.5 2,-0.3 1,-0.4 22,-0.2 0.739 72.3 10.3 -95.5 -31.5 21.6 22.5 44.9 69 75 A K E -O 89 0C 91 20,-1.2 20,-2.6 2,-0.0 2,-0.4 -0.987 56.2-161.3-149.8 147.2 23.6 22.8 41.7 70 76 A S E -O 88 0C 43 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.994 8.2-169.9-131.7 130.5 23.0 23.0 37.9 71 77 A I E -O 87 0C 37 16,-3.1 16,-2.2 -2,-0.4 2,-0.3 -0.956 6.1-159.5-125.2 111.5 25.7 22.3 35.4 72 78 A V E -O 86 0C 46 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.729 43.0 -90.1 -88.8 140.8 25.0 23.1 31.6 73 79 A H > - 0 0 23 12,-2.0 3,-1.8 -2,-0.3 -1,-0.1 -0.196 37.5-119.7 -47.3 136.0 27.3 21.2 29.2 74 80 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.704 111.2 42.5 -55.4 -23.7 30.5 23.3 28.7 75 81 A S T 3 S+ 0 0 69 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.095 75.6 143.7-111.9 15.6 29.7 23.5 24.9 76 82 A Y < - 0 0 57 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.311 34.2-158.7 -55.1 130.3 25.9 24.1 24.9 77 83 A N > - 0 0 70 5,-2.0 4,-2.5 1,-0.1 5,-0.5 -0.958 6.2-162.8-119.9 106.1 25.0 26.4 22.0 78 84 A S T 4 S+ 0 0 77 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.704 87.4 53.3 -64.4 -22.3 21.7 28.0 22.6 79 85 A N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.853 123.3 24.5 -82.1 -33.7 21.3 29.0 18.9 80 86 A T T 4 S- 0 0 74 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.577 95.7-130.4-103.1 -24.2 21.8 25.6 17.4 81 87 A L >< + 0 0 28 -4,-2.5 3,-0.9 1,-0.3 2,-0.2 0.633 49.5 160.9 76.5 16.5 20.8 23.5 20.4 82 88 A N T 3 + 0 0 39 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.3 -0.497 66.9 12.2 -71.1 130.8 24.0 21.5 20.0 83 89 A N T 3 S+ 0 0 15 -7,-0.2 2,-1.7 -2,-0.2 -10,-0.3 0.885 78.1 179.2 65.6 48.9 24.8 19.7 23.3 84 90 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.550 35.2 115.8 -83.3 83.4 21.4 20.3 24.9 85 91 A I + 0 0 0 -2,-1.7 -12,-2.0 -47,-0.3 2,-0.3 -0.989 36.4 179.0-154.3 139.0 22.1 18.5 28.2 86 92 A M E -MO 37 72C 0 -49,-2.5 -49,-2.6 -2,-0.3 2,-0.4 -0.981 19.1-138.6-142.5 153.1 22.3 19.6 31.8 87 93 A L E -MO 36 71C 0 -16,-2.2 -16,-3.1 -2,-0.3 2,-0.4 -0.938 13.6-162.8-117.9 139.1 22.9 17.9 35.2 88 94 A I E -MO 35 70C 0 -53,-2.3 -53,-2.2 -2,-0.4 2,-0.5 -0.998 7.7-150.4-126.5 115.8 20.9 18.8 38.3 89 95 A K E -MO 34 69C 48 -20,-2.6 -21,-3.5 -2,-0.4 -20,-1.2 -0.817 19.7-128.8 -93.5 128.7 22.2 17.9 41.8 90 96 A L E - 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