==== 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 1ANB . 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) . 9600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 63.7 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 . 72 32.3 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 . 20 9.0 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 1 3 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,-0.5 0.000 360.0 360.0 360.0 118.6 0.3 49.6 50.6 2 17 A V B +A 171 0A 9 169,-3.7 169,-2.7 1,-0.2 123,-0.1 -0.847 360.0 1.6 -97.8 123.5 -1.0 53.0 52.1 3 18 A G S S+ 0 0 39 121,-0.6 -1,-0.2 -2,-0.5 169,-0.1 0.566 101.8 125.7 79.4 14.2 -2.8 55.3 49.6 4 19 A G - 0 0 25 -3,-0.5 2,-0.3 167,-0.2 134,-0.2 -0.013 55.2-118.0 -86.0-165.6 -2.4 52.9 46.7 5 20 A Y E -B 137 0B 103 132,-3.0 132,-4.8 -3,-0.1 2,-0.4 -0.923 32.3 -87.6-137.1 158.1 -5.1 51.5 44.4 6 21 A T E -B 136 0B 67 -2,-0.3 130,-0.3 130,-0.3 3,-0.1 -0.618 49.1-121.6 -72.6 119.6 -6.5 48.0 43.7 7 22 A a - 0 0 2 128,-1.4 3,-0.1 -2,-0.4 2,-0.1 -0.268 27.8 -99.8 -64.7 145.1 -4.5 46.4 40.9 8 23 A Q > - 0 0 153 1,-0.2 3,-2.0 2,-0.1 4,-0.3 -0.463 62.9 -83.9 -61.9 132.3 -6.2 45.2 37.8 9 24 A E T 3 S- 0 0 105 1,-0.3 -1,-0.2 2,-0.1 44,-0.1 -0.131 110.6 -1.3 -51.8 124.8 -6.6 41.5 38.3 10 25 A N T 3 S+ 0 0 21 42,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.798 92.4 125.9 61.3 34.8 -3.5 39.6 37.4 11 26 A S S < S+ 0 0 61 -3,-2.0 -2,-0.1 1,-0.2 3,-0.1 0.660 72.5 48.9 -87.6 -18.7 -1.7 42.7 36.3 12 27 A V > + 0 0 6 -4,-0.3 3,-1.4 1,-0.1 -1,-0.2 -0.632 68.6 165.4-122.0 68.5 1.2 42.0 38.6 13 28 A P T 3 S+ 0 0 23 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.521 71.2 57.8 -64.6 -14.4 1.9 38.4 37.7 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-1.3 88,-0.1 2,-0.3 0.438 81.3 111.0 -91.6 -11.6 5.3 38.2 39.3 15 30 A Q E < -J 28 0C 3 -3,-1.4 36,-0.4 13,-0.2 37,-0.3 -0.567 47.8-177.6 -66.9 126.8 3.8 39.2 42.7 16 31 A V E -J 27 0C 0 11,-2.8 11,-1.4 -2,-0.3 2,-0.5 -0.911 20.4-136.9-129.9 155.0 3.9 36.3 45.1 17 32 A S E -JK 26 49C 0 32,-1.8 32,-2.4 -2,-0.3 2,-0.8 -0.949 13.6-138.4-113.5 125.7 2.6 36.0 48.7 18 33 A L E -JK 25 48C 0 7,-3.7 6,-3.4 -2,-0.5 7,-0.9 -0.781 30.0-168.9 -90.2 111.1 4.7 34.3 51.4 19 34 A N E +JK 23 47C 13 28,-3.2 28,-3.5 -2,-0.8 4,-0.2 -0.827 32.0 162.7-110.4 143.7 2.3 32.2 53.3 20 37 A S S S- 0 0 45 2,-2.0 3,-0.1 -2,-0.4 -1,-0.1 -0.283 94.5 -53.4-151.0 43.2 2.8 30.4 56.6 21 38 A G S S+ 0 0 76 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.427 140.5 39.4 88.7 3.7 -0.8 29.8 57.5 22 39 A Y S S- 0 0 141 -4,-0.0 -2,-2.0 0, 0.0 2,-0.4 -0.900 101.6 -95.2-173.5 148.5 -1.2 33.5 56.9 23 40 A H E +J 19 0C 19 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.633 49.5 159.9 -71.6 126.8 0.2 35.9 54.4 24 41 A F E + 0 0 31 -6,-3.4 2,-0.3 1,-0.4 151,-0.3 0.544 57.6 2.7-130.1 -12.3 3.3 37.5 56.0 25 42 A b E -J 18 0C 7 -7,-0.9 -7,-3.7 151,-0.1 -1,-0.4 -0.943 61.1-126.0-163.1 169.7 5.4 38.9 53.1 26 43 A G E +J 17 0C 0 151,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.537 24.7 178.6-114.3-179.3 5.5 39.3 49.4 27 44 A G E -J 16 0C 0 -11,-1.4 -11,-2.8 -2,-0.2 2,-0.4 -0.960 25.0-110.6-170.6 170.8 8.1 38.3 46.8 28 45 A S E -JL 15 36C 2 8,-2.3 8,-2.4 -2,-0.3 2,-0.7 -0.951 21.0-130.3-118.3 138.2 8.9 38.3 43.1 29 46 A L E + L 0 35C 0 -15,-1.3 74,-1.6 -2,-0.4 6,-0.3 -0.802 28.0 173.3 -88.2 113.3 9.0 35.3 40.7 30 47 A I E - 0 0 19 4,-3.2 2,-0.3 -2,-0.7 5,-0.2 0.511 69.6 -5.9 -99.0 -9.1 12.4 35.7 38.9 31 48 A N E > S- L 0 34C 45 3,-1.2 3,-1.5 70,-0.1 -1,-0.3 -0.920 89.6 -81.2-172.6 165.2 12.1 32.3 37.1 32 49 A D T 3 S+ 0 0 69 -2,-0.3 62,-2.3 1,-0.3 60,-0.1 0.552 130.3 28.5 -53.9 -14.0 9.7 29.3 37.2 33 50 A Q T 3 S+ 0 0 46 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.273 110.4 75.6-131.6 7.4 11.5 28.0 40.3 34 51 A W E < -LM 31 89C 10 -3,-1.5 -4,-3.2 55,-0.3 -3,-1.2 -0.977 44.3-176.7-139.6 133.8 12.8 31.1 42.0 35 52 A V E -LM 29 88C 0 53,-2.7 53,-3.1 -2,-0.4 2,-0.4 -0.932 15.3-149.3-121.0 135.0 11.5 33.9 44.2 36 53 A V E +LM 28 87C 2 -8,-2.4 -8,-2.3 -2,-0.4 51,-0.2 -0.879 33.0 148.5-102.6 136.0 13.5 36.8 45.5 37 54 A S E - M 0 86C 0 49,-2.9 49,-2.5 -2,-0.4 2,-0.4 -0.752 48.5 -69.1-148.7-165.4 12.3 38.3 48.8 38 55 A A > - 0 0 0 -12,-0.4 3,-2.1 47,-0.3 47,-0.2 -0.860 31.2-134.3-101.2 138.7 13.7 40.0 52.0 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.4 1,-0.3 -1,-0.1 0.784 107.1 66.8 -63.5 -28.8 15.8 38.1 54.4 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.647 93.0 64.3 -66.8 -8.6 13.8 39.6 57.2 41 58 A b G < S+ 0 0 2 -3,-2.1 -1,-0.3 -15,-0.0 -2,-0.2 0.412 76.4 135.1 -91.9 -0.6 11.0 37.4 55.7 42 59 A Y < + 0 0 96 -3,-2.4 2,-0.3 2,-0.0 -3,-0.1 -0.090 21.4 162.1 -55.2 142.6 12.8 34.2 56.5 43 60 A K - 0 0 54 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.964 45.8-120.7-153.8 151.0 10.9 31.2 58.0 44 61 A S S S+ 0 0 100 -2,-0.3 2,-0.3 1,-0.2 26,-0.1 0.695 104.1 30.7 -71.3 -23.3 11.9 27.5 58.1 45 62 A R S S+ 0 0 214 2,-0.0 2,-0.4 21,-0.0 -1,-0.2 -0.959 74.0 173.7-141.0 121.0 8.8 26.5 56.2 46 63 A I - 0 0 6 -2,-0.3 21,-2.8 21,-0.3 2,-0.6 -0.990 22.3-153.0-133.8 142.2 7.1 28.8 53.6 47 64 A Q E -KN 19 66C 51 -28,-3.5 -28,-3.2 -2,-0.4 2,-0.5 -0.970 17.6-153.8-112.8 117.2 4.3 28.3 51.1 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.7 -2,-0.6 2,-0.5 -0.838 9.0-160.9 -91.5 126.9 4.7 30.6 48.1 49 65AA R E -KN 17 64C 47 -32,-2.4 -32,-1.8 -2,-0.5 3,-0.3 -0.979 8.9-174.8-117.0 121.7 1.3 31.4 46.4 50 66 A L E + N 0 63C 0 13,-2.9 13,-1.4 -2,-0.5 -34,-0.1 -0.507 61.0 35.6-105.5 172.8 1.2 32.7 42.8 51 69 A G S S+ 0 0 3 48,-0.5 10,-0.3 -36,-0.4 2,-0.2 0.651 81.5 150.2 61.9 18.8 -1.6 34.0 40.6 52 70 A E + 0 0 9 -37,-0.3 -1,-0.2 -3,-0.3 -42,-0.2 -0.522 20.3 152.2 -85.4 147.5 -3.2 35.6 43.7 53 71 A H S S+ 0 0 15 4,-0.3 82,-1.3 -2,-0.2 2,-0.9 0.396 82.2 34.6-126.0 -69.4 -5.4 38.7 43.5 54 72 A N B > S-P 134 0D 21 3,-0.2 3,-1.5 80,-0.2 80,-0.2 -0.826 72.3-161.9 -99.0 102.4 -7.7 38.1 46.5 55 73 A I T 3 S+ 0 0 18 78,-2.5 -1,-0.1 -2,-0.9 79,-0.1 0.556 89.3 48.6 -62.1 -14.9 -5.5 36.4 49.1 56 74 A N T 3 S+ 0 0 108 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.446 104.4 65.4-109.1 -6.2 -8.7 35.2 50.9 57 75 A V S < S- 0 0 73 -3,-1.5 2,-0.8 76,-0.2 -4,-0.3 -0.966 74.5-130.6-127.3 137.5 -10.6 33.8 47.9 58 76 A L + 0 0 131 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.780 34.6 165.4 -82.3 110.9 -10.0 30.9 45.6 59 77 A E - 0 0 60 -2,-0.8 -1,-0.2 -5,-0.1 -7,-0.0 0.400 53.5-108.0-109.1 -5.2 -10.5 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 0.530 100.4 82.3 93.7 10.7 -8.9 29.7 40.3 61 79 A N + 0 0 46 -10,-0.3 -9,-0.1 -11,-0.1 38,-0.1 0.464 63.1 120.6-118.1 -12.4 -5.6 31.0 39.1 62 80 A E - 0 0 32 -11,-0.1 2,-0.4 -13,-0.1 -11,-0.2 -0.125 41.4-169.5 -57.3 146.1 -3.7 30.3 42.3 63 81 A Q E -N 50 0C 34 -13,-1.4 -13,-2.9 2,-0.0 2,-0.5 -0.984 8.4-160.4-133.3 124.7 -0.7 28.0 42.3 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.968 16.4 170.3-118.9 120.0 0.5 27.0 45.8 65 83 A V E -N 48 0C 16 -17,-2.7 -17,-3.0 -2,-0.5 2,-0.1 -0.992 29.6-122.8-135.4 133.0 4.1 25.7 46.1 66 84 A N E -N 47 0C 91 -2,-0.4 25,-2.7 -19,-0.2 2,-0.4 -0.381 29.2-114.4 -71.5 148.4 6.3 25.0 49.1 67 85 A A E -O 90 0C 18 -21,-2.8 -21,-0.3 23,-0.2 23,-0.2 -0.684 31.1-178.0 -81.8 132.8 9.7 26.6 49.4 68 86 A A E S+ 0 0 62 21,-2.5 2,-0.5 1,-0.4 22,-0.2 0.832 72.4 23.1 -98.0 -58.2 12.5 24.0 49.2 69 87 A K E -O 89 0C 96 20,-1.5 20,-2.5 2,-0.1 2,-0.6 -0.967 64.8-170.4-115.5 126.9 15.6 26.1 49.7 70 88 A I E -O 88 0C 25 -2,-0.5 2,-0.5 18,-0.2 18,-0.2 -0.988 14.8-177.4-119.6 106.1 15.3 29.4 51.6 71 89 A I E -O 87 0C 39 16,-3.5 16,-3.4 -2,-0.6 2,-0.2 -0.957 10.3-160.8-117.7 110.9 18.6 31.2 51.3 72 90 A K E -O 86 0C 90 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.496 40.0 -90.4 -85.0 154.9 19.3 34.5 52.9 73 91 A H > - 0 0 23 12,-2.4 3,-2.0 10,-0.4 -1,-0.1 -0.476 38.1-129.4 -64.0 132.6 22.1 36.7 51.7 74 92 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.762 106.4 52.6 -59.2 -29.4 25.1 35.6 53.9 75 93 A N T 3 S+ 0 0 115 8,-0.1 7,-0.1 2,-0.1 9,-0.1 0.211 76.3 147.3 -94.1 17.4 25.9 39.2 54.9 76 94 A F < - 0 0 42 -3,-2.0 2,-0.6 7,-0.1 7,-0.2 -0.282 32.8-161.8 -55.0 126.6 22.3 39.7 56.1 77 95 A D B >> -Q 82 0E 67 5,-2.1 4,-4.2 1,-0.1 5,-0.8 -0.918 10.5-168.8-119.8 100.1 22.6 42.1 59.0 78 96 A R T 45S+ 0 0 211 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.669 86.1 57.7 -58.3 -26.2 19.4 42.0 61.1 79 97 A K T 45S+ 0 0 179 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.938 124.7 16.3 -73.5 -51.7 20.6 45.0 63.0 80 98 A T T 45S- 0 0 71 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.638 94.3-127.3 -96.9 -22.3 20.9 47.4 60.0 81 99 A L T ><5 + 0 0 30 -4,-4.2 3,-1.0 1,-0.3 2,-0.3 0.739 52.8 156.2 74.5 27.9 19.0 45.5 57.3 82 100 A N B 3 < +Q 77 0E 41 -5,-0.8 -5,-2.1 1,-0.3 -1,-0.3 -0.693 69.0 15.7 -82.9 135.9 21.9 45.7 55.0 83 101 A N T 3 S+ 0 0 18 -2,-0.3 2,-2.7 1,-0.2 -10,-0.4 0.797 79.5 170.9 64.5 32.4 21.7 42.9 52.4 84 102 A D < + 0 0 0 -3,-1.0 2,-0.3 -8,-0.1 -1,-0.2 -0.524 34.0 117.7 -76.5 74.1 18.1 42.3 53.3 85 103 A I + 0 0 0 -2,-2.7 -12,-2.4 -47,-0.2 2,-0.3 -0.989 37.8 179.1-142.3 140.8 17.6 39.9 50.4 86 104 A M E -MO 37 72C 0 -49,-2.5 -49,-2.9 -2,-0.3 2,-0.4 -0.979 16.8-142.7-143.0 148.0 16.7 36.2 50.3 87 105 A L E -MO 36 71C 0 -16,-3.4 -16,-3.5 -2,-0.3 2,-0.5 -0.925 8.3-163.5-116.1 141.5 16.2 33.6 47.5 88 106 A I E -MO 35 70C 0 -53,-3.1 -53,-2.7 -2,-0.4 2,-0.5 -0.984 5.2-158.5-122.2 114.8 13.5 30.9 47.6 89 107 A K E -MO 34 69C 43 -20,-2.5 -21,-2.5 -2,-0.5 -20,-1.5 -0.870 27.3-126.4 -91.1 125.6 13.9 27.9 45.2 90 108 A L E - 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