==== 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 1ANE . 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) . 9443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 73 32.7 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 . 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 0 1 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 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 0.000 360.0 360.0 360.0 120.4 0.2 49.7 50.6 2 17 A V B +A 171 0A 9 169,-2.5 169,-1.6 1,-0.2 123,-0.1 -0.802 360.0 7.4 -98.6 132.1 -1.2 53.0 52.1 3 18 A G S S+ 0 0 41 121,-0.5 -1,-0.2 -2,-0.4 167,-0.1 0.652 102.3 122.1 76.0 12.9 -2.7 55.5 49.6 4 19 A G - 0 0 27 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.034 56.9-118.1 -94.9-159.8 -2.6 53.0 46.6 5 20 A Y E -B 137 0B 105 132,-2.3 132,-3.3 -3,-0.1 2,-0.4 -0.935 35.6 -89.4-139.7 159.0 -5.2 51.6 44.3 6 21 A T E -B 136 0B 64 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.592 47.3-122.5 -73.9 124.1 -6.4 48.0 43.7 7 22 A a - 0 0 2 128,-1.9 3,-0.1 -2,-0.4 128,-0.1 -0.401 32.0 -97.9 -64.3 145.3 -4.3 46.4 40.9 8 23 A Q > - 0 0 151 1,-0.2 3,-2.5 2,-0.1 4,-0.3 -0.353 64.1 -75.6 -57.4 142.6 -6.2 45.1 37.9 9 24 A E T 3 S- 0 0 86 1,-0.3 -1,-0.2 2,-0.1 44,-0.1 -0.212 110.7 -11.8 -56.2 124.1 -6.6 41.4 38.3 10 25 A N T 3 S+ 0 0 17 42,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.660 93.4 127.7 56.4 28.1 -3.4 39.5 37.6 11 26 A S S < S+ 0 0 65 -3,-2.5 -2,-0.1 1,-0.2 -1,-0.1 0.525 71.9 54.2 -82.3 -10.6 -1.8 42.6 36.1 12 27 A V S > S+ 0 0 5 -4,-0.3 3,-2.0 1,-0.1 -1,-0.2 -0.629 73.7 169.2-115.8 74.4 1.2 42.2 38.4 13 28 A P T 3 + 0 0 31 0, 0.0 88,-0.9 0, 0.0 38,-0.3 0.703 67.2 56.5 -76.4 -11.1 1.9 38.6 37.4 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.0 88,-0.1 2,-0.3 0.440 80.5 110.2 -90.7 -2.5 5.3 38.2 39.1 15 30 A Q E < -J 28 0C 5 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.649 46.9-175.0 -77.0 130.5 3.9 39.1 42.5 16 31 A V E -J 27 0C 1 11,-2.2 11,-1.4 -2,-0.3 2,-0.4 -0.871 20.2-136.6-123.3 159.1 3.8 36.2 45.0 17 32 A S E -JK 26 49C 0 32,-2.1 32,-2.6 -2,-0.3 2,-0.6 -0.933 15.3-142.6-106.0 131.8 2.5 36.0 48.6 18 33 A L E -JK 25 48C 0 7,-2.8 6,-2.6 -2,-0.4 7,-1.1 -0.889 27.0-168.9 -97.7 125.5 4.7 34.2 51.2 19 34 A N E +JK 23 47C 13 28,-2.7 28,-2.7 -2,-0.6 4,-0.3 -0.928 32.9 174.5-122.0 135.9 2.3 32.2 53.5 20 37 A S S S- 0 0 37 2,-2.6 3,-0.1 -2,-0.4 26,-0.1 -0.527 97.1 -51.1-121.4 56.9 2.8 30.4 56.8 21 38 A G S S+ 0 0 72 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.313 142.7 41.1 84.9 -17.3 -0.9 29.6 57.4 22 39 A Y S S- 0 0 137 -4,-0.0 -2,-2.6 0, 0.0 2,-0.4 -0.957 101.5 -93.6-154.1 157.4 -1.3 33.5 56.7 23 40 A H E +J 19 0C 20 -2,-0.3 -4,-0.2 -4,-0.3 3,-0.1 -0.617 49.4 160.7 -69.7 128.1 0.2 35.9 54.3 24 41 A F E + 0 0 33 -6,-2.6 2,-0.3 1,-0.4 151,-0.3 0.523 60.2 0.9-126.0 -11.6 3.2 37.5 56.0 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-2.8 151,-0.1 -1,-0.4 -0.959 62.5-129.5-161.0 168.4 5.4 39.0 53.2 26 43 A G E +J 17 0C 0 151,-2.7 12,-0.4 150,-0.3 2,-0.3 -0.540 23.5 177.0-113.2-173.2 5.4 39.3 49.4 27 44 A G E -J 16 0C 0 -11,-1.4 -11,-2.2 -2,-0.2 2,-0.4 -0.968 26.7-104.2-168.8-175.6 8.1 38.5 46.8 28 45 A S E -JL 15 36C 0 8,-1.9 8,-2.2 -2,-0.3 2,-0.6 -0.977 21.2-131.8-126.9 136.6 8.9 38.4 43.0 29 46 A L E + L 0 35C 0 -15,-2.0 74,-1.9 -2,-0.4 6,-0.2 -0.749 26.8 175.4 -84.5 120.0 9.1 35.4 40.7 30 47 A I E - 0 0 17 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.534 67.8 -7.1-106.8 -10.2 12.3 35.8 38.7 31 48 A N E > S- L 0 34C 46 3,-1.0 3,-0.8 70,-0.1 -1,-0.3 -0.935 93.2 -77.7-163.3 180.0 12.3 32.4 36.8 32 49 A D T 3 S+ 0 0 67 -2,-0.3 62,-2.1 1,-0.2 60,-0.1 0.614 127.3 29.2 -72.9 0.0 10.0 29.4 37.0 33 50 A Q T 3 S+ 0 0 47 60,-0.2 57,-2.4 1,-0.1 2,-0.4 0.438 107.6 68.6-131.4 3.7 11.7 28.1 40.1 34 51 A W E < -LM 31 89C 10 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.0 -0.982 47.8-170.4-136.0 141.7 13.1 31.0 42.1 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.9 -2,-0.4 2,-0.4 -0.921 13.4-147.5-123.7 140.5 11.6 33.9 44.1 36 53 A V E +LM 28 87C 0 -8,-2.2 -8,-1.9 -2,-0.3 51,-0.2 -0.939 31.7 152.3-107.9 132.1 13.5 36.9 45.6 37 54 A S E - M 0 86C 0 49,-2.3 49,-1.9 -2,-0.4 2,-0.3 -0.674 49.3 -68.6-140.1-160.5 12.1 38.3 48.9 38 55 A A > - 0 0 0 -12,-0.4 3,-2.1 47,-0.3 47,-0.2 -0.801 34.7-131.7-101.1 145.0 13.5 40.2 51.9 39 56 A A G > S+ 0 0 1 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.859 107.6 64.6 -68.1 -28.7 15.9 38.4 54.3 40 57 A H G 3 S+ 0 0 71 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.527 91.1 65.7 -71.2 -1.2 13.8 39.6 57.2 41 58 A b G < S+ 0 0 5 -3,-2.1 -1,-0.3 2,-0.0 -2,-0.2 0.371 74.9 136.2 -93.3 1.5 10.9 37.5 55.8 42 59 A Y < + 0 0 100 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.262 20.3 159.9 -48.2 130.0 12.9 34.3 56.5 43 60 A K - 0 0 61 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.948 46.7-120.0-142.2 154.4 10.9 31.5 58.1 44 61 A S S S+ 0 0 95 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.693 101.9 32.3 -72.6 -19.6 11.9 27.8 58.1 45 62 A R S S+ 0 0 217 2,-0.0 2,-0.4 21,-0.0 -1,-0.2 -0.988 73.2 171.0-134.5 130.7 8.8 26.6 56.2 46 63 A I - 0 0 5 -2,-0.4 21,-2.4 21,-0.2 2,-0.6 -0.997 24.2-151.1-138.9 132.8 7.1 28.9 53.6 47 64 A Q E -KN 19 66C 51 -28,-2.7 -28,-2.7 -2,-0.4 2,-0.4 -0.955 19.4-147.9-102.9 124.0 4.3 28.2 51.2 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.4 -2,-0.6 2,-0.5 -0.773 9.6-158.1 -91.2 130.4 4.7 30.5 48.1 49 65AA R E -KN 17 64C 50 -32,-2.6 -32,-2.1 -2,-0.4 3,-0.3 -0.949 12.7-177.4-115.6 123.7 1.3 31.4 46.5 50 66 A L E + N 0 63C 2 13,-2.8 13,-1.7 -2,-0.5 -34,-0.1 -0.723 59.3 36.5-113.9 162.3 1.4 32.6 42.9 51 69 A G S S+ 0 0 3 -36,-0.4 10,-0.2 -38,-0.3 2,-0.2 0.707 81.8 155.3 74.6 19.4 -1.4 33.8 40.6 52 70 A E + 0 0 11 -37,-0.4 -1,-0.2 -3,-0.3 -42,-0.2 -0.556 21.4 150.3 -85.6 142.3 -3.1 35.6 43.5 53 71 A H S S+ 0 0 17 1,-0.3 82,-1.1 4,-0.2 2,-0.9 0.386 81.2 33.9-124.2 -65.3 -5.5 38.5 43.3 54 72 A N B > S-P 134 0D 21 3,-0.2 3,-1.4 80,-0.2 -1,-0.3 -0.798 75.8-155.7 -89.6 113.0 -7.8 38.2 46.2 55 73 A I T 3 S+ 0 0 20 78,-3.1 -1,-0.2 -2,-0.9 79,-0.1 0.690 89.0 44.2 -65.3 -17.9 -5.5 36.6 48.9 56 74 A N T 3 S+ 0 0 112 77,-0.3 2,-0.4 1,-0.1 -1,-0.3 0.429 102.9 60.3-104.5 2.5 -8.6 35.2 50.7 57 75 A V S < S- 0 0 79 -3,-1.4 2,-0.4 76,-0.2 -3,-0.2 -0.993 81.3-120.2-130.4 130.8 -10.9 33.7 48.0 58 76 A L + 0 0 134 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.596 35.9 175.1 -71.2 117.5 -9.9 30.8 45.6 59 77 A E - 0 0 60 -2,-0.4 -1,-0.2 -5,-0.1 -7,-0.0 0.537 48.7-106.2 -99.7 -14.8 -10.3 32.5 42.3 60 78 A G S S+ 0 0 64 -3,-0.1 -2,-0.1 0, 0.0 -8,-0.1 0.529 101.0 80.3 108.1 6.5 -9.0 29.8 40.1 61 79 A N + 0 0 42 -10,-0.2 -9,-0.1 -11,-0.0 -3,-0.0 0.371 62.8 117.1-122.3 4.0 -5.5 31.0 39.0 62 80 A E - 0 0 32 -13,-0.1 2,-0.4 -11,-0.0 -11,-0.2 -0.327 40.3-170.6 -74.9 149.9 -3.5 30.2 42.1 63 81 A Q E -N 50 0C 43 -13,-1.7 -13,-2.8 2,-0.0 2,-0.5 -0.990 9.9-161.2-130.2 132.0 -0.6 27.8 42.2 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.990 16.4 172.1-118.0 123.2 0.6 27.1 45.8 65 83 A V E -N 48 0C 15 -17,-2.4 -17,-3.0 -2,-0.5 2,-0.2 -0.967 29.3-119.7-129.7 143.8 4.2 25.6 46.0 66 84 A N E -N 47 0C 88 -2,-0.3 25,-2.5 -19,-0.2 -19,-0.2 -0.632 28.0-114.6 -87.1 145.7 6.4 25.0 49.0 67 85 A A E -O 90 0C 18 -21,-2.4 23,-0.3 -2,-0.2 -21,-0.2 -0.544 29.6-175.3 -66.8 137.2 9.8 26.6 49.4 68 86 A A E S+ 0 0 63 21,-3.3 2,-0.4 1,-0.5 22,-0.2 0.757 73.1 19.4-103.4 -47.2 12.6 24.0 49.2 69 87 A K E -O 89 0C 84 20,-1.4 20,-2.7 2,-0.0 2,-0.5 -0.989 64.6-168.8-121.1 137.9 15.7 26.1 49.9 70 88 A I E -O 88 0C 32 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.981 12.2-172.5-127.6 112.5 15.4 29.5 51.5 71 89 A I E -O 87 0C 37 16,-2.9 16,-2.8 -2,-0.5 2,-0.2 -0.939 7.5-160.5-112.7 105.9 18.7 31.3 51.2 72 90 A K E -O 86 0C 78 -2,-0.6 14,-0.2 14,-0.3 12,-0.1 -0.610 42.2 -89.4 -80.4 150.9 19.3 34.6 53.1 73 91 A H > - 0 0 19 12,-2.0 3,-2.1 10,-0.3 -1,-0.1 -0.330 37.8-125.2 -56.5 136.4 22.2 36.9 51.8 74 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.848 108.8 46.0 -61.9 -30.8 25.2 35.7 53.9 75 93 A N T 3 S+ 0 0 109 2,-0.1 2,-0.2 8,-0.0 -2,-0.1 0.102 76.2 141.6 -95.6 24.2 25.9 39.4 55.1 76 94 A F < - 0 0 40 -3,-2.1 2,-0.6 9,-0.1 7,-0.2 -0.483 40.8-152.7 -63.5 128.6 22.3 40.1 56.0 77 95 A D B >> -Q 82 0E 64 5,-2.4 4,-2.2 -2,-0.2 5,-0.8 -0.944 7.3-159.4-110.5 115.4 22.5 42.2 59.1 78 96 A R T 45S+ 0 0 214 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.716 87.9 52.6 -63.1 -28.6 19.5 41.8 61.3 79 97 A K T 45S+ 0 0 158 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.863 123.2 22.6 -84.6 -41.2 20.1 45.0 63.2 80 98 A T T 45S- 0 0 57 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.569 95.8-129.2 -98.7 -8.9 20.5 47.5 60.3 81 99 A L T ><5 + 0 0 34 -4,-2.2 3,-0.8 1,-0.3 2,-0.3 0.829 51.0 160.7 60.7 34.3 18.6 45.4 57.7 82 100 A N B 3 < +Q 77 0E 32 -5,-0.8 -5,-2.4 1,-0.3 -1,-0.3 -0.711 64.6 17.4 -83.3 140.1 21.6 45.9 55.4 83 101 A N T 3 S+ 0 0 17 -2,-0.3 2,-2.1 -7,-0.2 -10,-0.3 0.886 79.2 174.6 61.6 47.2 21.6 43.3 52.6 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.1 -1,-0.2 -0.510 32.6 115.3 -82.4 79.2 17.9 42.5 53.2 85 103 A I - 0 0 0 -2,-2.1 -12,-2.0 -47,-0.2 2,-0.3 -0.995 37.1-179.9-144.3 145.8 17.5 40.1 50.3 86 104 A M E -MO 37 72C 0 -49,-1.9 -49,-2.3 -2,-0.3 2,-0.4 -0.979 17.2-142.9-144.0 151.0 16.7 36.3 50.3 87 105 A L E -MO 36 71C 0 -16,-2.8 -16,-2.9 -2,-0.3 2,-0.5 -0.940 10.8-162.4-117.0 142.4 16.2 33.8 47.5 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.3 -2,-0.4 2,-0.5 -0.987 6.5-154.0-122.7 123.3 13.6 31.0 47.7 89 107 A K E -MO 34 69C 47 -20,-2.7 -21,-3.3 -2,-0.5 -20,-1.4 -0.886 22.8-131.5 -93.2 129.0 13.9 27.9 45.4 90 108 A L E - O 0 67C 0 -57,-2.4 -23,-0.2 -2,-0.5 -43,-0.0 -0.371 16.7-118.0 -75.3 155.4 10.4 26.4 44.9 91 109 A S S S+ 0 0 67 -25,-2.5 -1,-0.1 1,-0.2 -24,-0.1 0.647 97.2 6.2 -73.9 -9.9 10.1 22.6 45.4 92 110 A S S S- 0 0 58 -26,-0.2 -1,-0.2 -60,-0.1 -24,-0.0 -0.956 93.6 -89.3-159.3 152.9 9.0 22.3 41.7 93 111 A P - 0 0 70 0, 0.0 -60,-0.2 0, 0.0 2,-0.2 -0.272 42.3-126.3 -62.5 152.7 8.8 24.7 38.8 94 112 A V - 0 0 11 -62,-2.1 2,-0.7 -31,-0.0 6,-0.0 -0.570 24.5-101.8 -97.7 168.2 5.5 26.6 38.4 95 113 A K - 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