==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 21-DEC-94 1ANC . COMPND 2 MOLECULE: ANIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; . AUTHOR R.J.FLETTERICK,M.E.MCGRATH . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 62.8 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 . 71 31.8 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 . 19 8.5 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 . 14 6.3 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 . 4 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,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.2 0.2 49.7 50.6 2 17 A V B +A 171 0A 10 169,-3.4 169,-1.9 1,-0.2 123,-0.1 -0.890 360.0 0.1 -98.6 128.2 -1.1 53.0 52.0 3 18 A G S S+ 0 0 44 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.590 101.0 124.1 73.9 16.3 -2.9 55.3 49.6 4 19 A G - 0 0 25 -3,-0.3 2,-0.3 167,-0.2 134,-0.2 0.078 57.1-114.8 -89.5-159.3 -2.4 52.9 46.6 5 20 A Y E -B 137 0B 107 132,-2.8 132,-3.2 -3,-0.1 2,-0.4 -0.936 34.2 -87.6-136.5 160.0 -5.2 51.5 44.4 6 21 A T E -B 136 0B 64 -2,-0.3 130,-0.3 130,-0.2 3,-0.1 -0.616 48.6-123.4 -71.3 120.2 -6.5 48.0 43.8 7 22 A a - 0 0 2 128,-1.8 2,-0.2 -2,-0.4 3,-0.1 -0.291 31.1 -97.5 -62.2 151.6 -4.4 46.4 41.0 8 23 A Q > - 0 0 155 1,-0.2 3,-2.6 2,-0.1 4,-0.2 -0.480 63.8 -79.5 -66.2 136.8 -6.3 45.1 37.9 9 24 A E T 3 S- 0 0 95 1,-0.3 -1,-0.2 -2,-0.2 44,-0.1 -0.167 111.8 -5.3 -46.9 122.4 -6.7 41.4 38.6 10 25 A N T 3 S+ 0 0 20 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.648 93.0 128.3 63.3 23.0 -3.5 39.5 37.7 11 26 A S S < S+ 0 0 62 -3,-2.6 -2,-0.1 1,-0.3 -1,-0.1 0.575 71.0 50.3 -81.8 -9.8 -1.9 42.6 36.4 12 27 A V S > S+ 0 0 7 -4,-0.2 3,-1.4 87,-0.1 -1,-0.3 -0.740 71.9 169.3-126.9 71.9 1.3 42.1 38.6 13 28 A P T 3 + 0 0 28 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.530 69.2 58.8 -69.6 -9.2 1.9 38.5 37.6 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.0 88,-0.1 2,-0.3 0.396 82.2 110.3 -95.2 -5.6 5.3 38.2 39.2 15 30 A Q E < -J 28 0C 3 -3,-1.4 36,-0.5 13,-0.2 37,-0.4 -0.633 47.0-176.5 -74.0 132.3 3.9 39.1 42.6 16 31 A V E -J 27 0C 0 11,-2.5 11,-1.3 -2,-0.3 2,-0.5 -0.903 21.6-136.9-131.6 159.7 3.8 36.4 45.2 17 32 A S E -JK 26 49C 0 32,-2.0 32,-2.9 -2,-0.3 2,-0.6 -0.931 16.3-141.6-111.1 127.8 2.5 36.0 48.7 18 33 A L E -JK 25 48C 0 7,-3.5 6,-2.4 -2,-0.5 7,-1.0 -0.854 26.8-162.7 -93.9 125.5 4.6 34.2 51.3 19 34 A N E +JK 23 47C 15 28,-3.1 28,-2.9 -2,-0.6 4,-0.2 -0.914 35.7 165.6-123.7 141.9 2.4 32.1 53.5 20 37 A S S S- 0 0 43 2,-2.3 3,-0.1 -2,-0.4 -1,-0.1 -0.323 96.6 -54.1-135.1 40.5 2.8 30.4 56.9 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.265 139.5 40.0 92.9 -8.1 -0.9 29.8 57.5 22 39 A Y S S- 0 0 136 -4,-0.0 -2,-2.3 0, 0.0 2,-0.4 -0.928 101.7 -91.4-161.7 158.8 -1.3 33.5 56.9 23 40 A H E +J 19 0C 22 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.664 50.6 157.4 -76.6 129.8 0.2 36.0 54.4 24 41 A F E + 0 0 32 -6,-2.4 2,-0.3 1,-0.5 151,-0.3 0.549 59.1 6.9-131.6 -14.6 3.3 37.6 56.0 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.5 151,-0.1 -1,-0.5 -0.938 60.6-131.1-161.2 163.6 5.4 38.9 53.2 26 43 A G E +J 17 0C 0 151,-2.5 12,-0.4 -2,-0.3 2,-0.3 -0.466 24.6 176.3-109.3-177.0 5.4 39.4 49.4 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.5 -2,-0.2 2,-0.4 -0.950 25.4-109.7-169.6 177.0 8.1 38.4 46.9 28 45 A S E -JL 15 36C 1 8,-2.4 8,-2.7 -2,-0.3 2,-0.7 -0.981 18.9-129.5-127.5 139.3 8.8 38.3 43.1 29 46 A L E + L 0 35C 0 -15,-2.0 74,-1.7 -2,-0.4 6,-0.2 -0.792 29.0 170.7 -86.1 114.0 9.0 35.4 40.7 30 47 A I E - 0 0 17 4,-2.2 2,-0.3 -2,-0.7 5,-0.2 0.506 68.5 -0.5-104.7 -7.3 12.3 35.8 38.7 31 48 A N E > S- L 0 34C 44 3,-1.1 3,-1.1 70,-0.1 -1,-0.3 -0.902 90.2 -83.7-168.7 163.8 12.2 32.3 37.0 32 49 A D T 3 S+ 0 0 69 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.518 128.0 28.1 -57.3 -7.5 9.9 29.3 37.0 33 50 A Q T 3 S+ 0 0 47 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.377 108.9 71.1-131.8 0.6 11.6 28.0 40.1 34 51 A W E < -LM 31 89C 10 -3,-1.1 -4,-2.2 55,-0.2 -3,-1.1 -0.974 47.5-169.3-132.1 139.2 12.9 31.0 42.1 35 52 A V E -LM 29 88C 0 53,-2.6 53,-3.0 -2,-0.4 2,-0.4 -0.927 13.2-147.3-119.9 139.4 11.5 33.8 44.2 36 53 A V E +LM 28 87C 1 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.2 -0.907 34.2 146.2-109.5 131.5 13.3 36.9 45.5 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.4 -0.729 50.2 -69.3-143.7-166.1 12.1 38.3 48.8 38 55 A A > - 0 0 0 -12,-0.4 3,-2.2 47,-0.3 47,-0.2 -0.837 30.3-132.5-100.0 142.8 13.6 40.0 51.9 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.756 108.4 64.8 -62.8 -28.8 15.9 38.2 54.3 40 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.623 92.4 64.1 -71.4 -9.4 13.9 39.6 57.1 41 58 A b G < S+ 0 0 4 -3,-2.2 -1,-0.3 -15,-0.1 -2,-0.2 0.339 76.5 137.4 -90.1 3.3 11.0 37.5 55.7 42 59 A Y < + 0 0 98 -3,-2.0 2,-0.3 2,-0.0 -3,-0.0 -0.251 20.4 162.0 -56.4 137.9 12.9 34.3 56.5 43 60 A K - 0 0 57 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.938 45.5-121.2-148.9 148.8 10.9 31.5 58.1 44 61 A S S S+ 0 0 93 -2,-0.3 2,-0.3 1,-0.2 26,-0.1 0.631 101.4 30.1 -68.9 -21.0 11.9 27.8 58.2 45 62 A R S S+ 0 0 209 2,-0.0 2,-0.4 21,-0.0 -1,-0.2 -0.974 73.0 170.0-142.1 124.7 8.8 26.6 56.3 46 63 A I - 0 0 5 -2,-0.3 21,-3.0 21,-0.3 2,-0.5 -0.998 25.1-151.2-140.1 141.5 7.0 28.7 53.7 47 64 A Q E -KN 19 66C 48 -28,-2.9 -28,-3.1 -2,-0.4 2,-0.5 -0.961 20.9-148.2-110.0 123.0 4.3 28.1 51.1 48 65 A V E -KN 18 65C 0 17,-3.7 17,-2.7 -2,-0.5 2,-0.5 -0.860 9.9-158.4 -93.1 130.9 4.7 30.5 48.1 49 65AA R E -KN 17 64C 49 -32,-2.9 -32,-2.0 -2,-0.5 3,-0.3 -0.960 12.1-178.0-117.0 117.6 1.4 31.5 46.5 50 66 A L E + N 0 63C 1 13,-2.7 13,-1.6 -2,-0.5 -34,-0.1 -0.591 59.5 35.3-106.6 167.2 1.3 32.7 42.9 51 69 A G S S+ 0 0 3 -36,-0.5 10,-0.3 48,-0.3 2,-0.2 0.678 81.4 155.0 65.6 21.6 -1.5 34.0 40.7 52 70 A E + 0 0 10 -37,-0.4 -42,-0.2 -3,-0.3 -1,-0.2 -0.539 20.9 151.6 -85.3 147.4 -3.2 35.6 43.6 53 71 A H S S+ 0 0 18 1,-0.3 82,-0.8 4,-0.3 2,-0.8 0.416 80.2 34.8-126.2 -75.8 -5.6 38.6 43.4 54 72 A N B > S-P 134 0D 24 3,-0.2 3,-1.1 80,-0.2 -1,-0.3 -0.781 72.9-159.4 -88.9 111.7 -7.9 38.1 46.4 55 73 A I T 3 S+ 0 0 20 78,-2.8 -1,-0.1 -2,-0.8 79,-0.1 0.677 90.1 44.5 -65.5 -23.8 -5.7 36.5 49.1 56 74 A N T 3 S+ 0 0 114 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.377 106.7 64.0-104.0 -1.7 -8.8 35.2 50.9 57 75 A V S < S- 0 0 78 -3,-1.1 2,-0.6 76,-0.2 -4,-0.3 -0.995 77.6-127.5-129.2 133.6 -10.8 33.7 48.0 58 76 A L + 0 0 136 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.689 32.2 173.5 -74.4 118.5 -9.8 30.9 45.6 59 77 A E - 0 0 54 -2,-0.6 -1,-0.2 -5,-0.1 -7,-0.0 0.512 50.2-105.4-107.9 -8.0 -10.3 32.5 42.2 60 78 A G S S+ 0 0 65 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.478 103.3 80.5 99.4 5.1 -8.9 29.7 40.1 61 79 A N + 0 0 37 -10,-0.3 -9,-0.1 -11,-0.1 -11,-0.1 0.390 63.3 121.9-117.9 -7.9 -5.5 31.1 39.1 62 80 A E - 0 0 34 -11,-0.1 2,-0.4 -13,-0.1 -11,-0.2 -0.222 39.5-170.8 -62.2 143.9 -3.6 30.2 42.2 63 81 A Q E -N 50 0C 39 -13,-1.6 -13,-2.7 2,-0.1 2,-0.5 -0.993 9.5-161.8-127.6 122.3 -0.6 28.0 42.3 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.969 17.0 170.8-112.3 127.7 0.5 27.1 45.9 65 83 A V E -N 48 0C 14 -17,-2.7 -17,-3.7 -2,-0.5 2,-0.1 -0.987 29.4-125.3-141.9 128.9 4.1 25.8 46.1 66 84 A N E -N 47 0C 88 -2,-0.3 25,-3.1 -19,-0.3 2,-0.3 -0.419 30.6-112.9 -72.5 147.9 6.3 25.0 49.1 67 85 A A E -O 90 0C 18 -21,-3.0 23,-0.3 23,-0.2 -21,-0.3 -0.616 28.2-172.2 -76.1 135.4 9.7 26.6 49.4 68 86 A A E S+ 0 0 61 21,-3.4 2,-0.4 1,-0.4 22,-0.2 0.851 73.5 17.0 -95.3 -50.7 12.5 24.0 49.0 69 87 A K E -O 89 0C 78 20,-1.7 20,-3.2 2,-0.0 2,-0.6 -0.999 63.6-165.5-127.5 128.5 15.5 26.1 49.8 70 88 A I E -O 88 0C 33 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.993 12.5-172.8-114.6 114.9 15.4 29.5 51.5 71 89 A I E -O 87 0C 39 16,-3.6 16,-2.8 -2,-0.6 2,-0.2 -0.961 6.1-162.8-119.2 108.0 18.7 31.4 51.2 72 90 A K E -O 86 0C 88 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.462 42.6 -86.4 -78.6 152.9 19.2 34.6 53.0 73 91 A H > - 0 0 21 12,-2.1 3,-2.3 10,-0.4 -1,-0.1 -0.383 35.2-129.6 -60.6 135.4 22.1 36.9 51.9 74 92 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.798 109.3 48.0 -59.1 -29.5 25.2 35.7 53.7 75 93 A N T 3 S+ 0 0 108 8,-0.1 2,-0.1 2,-0.1 7,-0.1 0.129 75.7 141.3 -98.6 17.1 25.8 39.3 54.7 76 94 A F < - 0 0 44 -3,-2.3 2,-0.6 9,-0.1 7,-0.2 -0.358 37.8-157.3 -60.5 131.8 22.2 40.0 55.9 77 95 A D B >> -Q 82 0E 71 5,-2.0 4,-3.2 1,-0.1 5,-0.6 -0.932 4.7-161.1-114.5 101.1 22.7 42.2 59.1 78 96 A R T 45S+ 0 0 213 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.676 88.3 52.5 -54.7 -24.7 19.5 41.8 61.1 79 97 A K T 45S+ 0 0 170 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.912 123.6 21.5 -83.1 -50.6 20.3 45.0 63.0 80 98 A T T 45S- 0 0 69 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.525 94.8-130.6 -95.7 -16.4 20.8 47.4 60.1 81 99 A L T ><5 + 0 0 27 -4,-3.2 3,-0.9 1,-0.3 2,-0.3 0.731 50.8 158.2 67.4 25.2 18.9 45.5 57.5 82 100 A N B 3 < +Q 77 0E 34 -5,-0.6 -5,-2.0 1,-0.3 -1,-0.3 -0.637 66.4 18.0 -77.6 139.5 21.8 45.9 55.2 83 101 A N T 3 S+ 0 0 18 -2,-0.3 2,-2.0 -7,-0.2 -10,-0.4 0.842 79.2 172.9 63.0 41.2 21.8 43.1 52.5 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.1 -1,-0.2 -0.567 32.5 117.3 -80.4 77.9 18.1 42.4 53.2 85 103 A I + 0 0 0 -2,-2.0 -12,-2.1 -47,-0.2 2,-0.3 -0.981 36.7 179.0-144.1 144.5 17.6 40.0 50.2 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.969 17.2-143.0-145.2 151.6 16.7 36.3 50.2 87 105 A L E -MO 36 71C 0 -16,-2.8 -16,-3.6 -2,-0.3 2,-0.5 -0.950 9.2-161.1-119.8 140.7 16.2 33.7 47.5 88 106 A I E -MO 35 70C 0 -53,-3.0 -53,-2.6 -2,-0.4 2,-0.6 -0.996 4.5-157.2-119.5 122.4 13.5 31.0 47.7 89 107 A K E -MO 34 69C 42 -20,-3.2 -21,-3.4 -2,-0.5 -20,-1.7 -0.929 24.5-130.9 -97.3 125.5 13.9 27.9 45.4 90 108 A L E - 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