==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C1S . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,C.LUONG . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 . 74 33.2 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 . 12 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.3 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 . 5 2 1 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,-0.5 0, 0.0 171,-0.2 0.000 360.0 360.0 360.0 133.1 52.0 14.3 49.2 2 17 A V B +A 171 0A 6 169,-2.5 169,-1.9 1,-0.2 123,-0.1 -0.947 360.0 6.9-113.3 129.6 54.3 14.3 52.2 3 18 A G S S+ 0 0 49 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.690 101.0 120.4 75.3 21.3 55.9 11.0 53.2 4 19 A G - 0 0 32 -3,-0.2 2,-0.3 134,-0.1 134,-0.2 -0.211 55.8-118.8-102.5-166.2 54.7 9.1 50.1 5 20 A Y E -B 137 0B 92 132,-2.4 132,-2.6 -2,-0.1 2,-0.5 -0.836 34.7 -84.5-131.2 170.2 56.6 7.3 47.3 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.648 37.1-149.9 -78.0 123.7 56.9 7.7 43.5 7 22 A a - 0 0 20 128,-1.6 -1,-0.2 -2,-0.5 2,-0.1 0.922 35.3-112.0 -58.2 -52.2 54.0 5.9 42.0 8 23 A G > - 0 0 28 127,-0.4 3,-1.6 -3,-0.1 4,-0.3 -0.154 49.1 -55.9 121.9 145.2 55.6 4.8 38.8 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.288 118.8 -11.3 -57.4 133.0 54.6 6.1 35.3 10 25 A N T 3 S+ 0 0 36 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.737 90.5 126.6 46.4 40.4 51.0 5.6 34.6 11 26 A T S < S+ 0 0 79 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.598 75.8 49.6 -93.6 -12.0 50.3 3.3 37.5 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 1,-0.1 -1,-0.2 -0.709 74.4 173.3-121.0 74.9 47.4 5.7 38.7 13 28 A P T 3 + 0 0 33 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.663 69.8 56.6 -70.3 -15.8 45.7 5.8 35.2 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.414 81.9 109.5 -93.4 -1.2 42.5 7.8 36.4 15 30 A Q E < -J 28 0C 6 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.581 48.2-171.4 -80.1 138.7 44.5 10.7 37.9 16 31 A V E -JK 27 50C 1 11,-2.4 11,-1.1 -2,-0.3 2,-0.4 -0.868 19.0-141.0-128.2 161.7 44.3 14.0 36.1 17 32 A S E -JK 26 49C 1 32,-2.0 32,-2.7 -2,-0.3 2,-0.5 -0.982 14.8-146.6-121.2 127.8 46.1 17.3 36.4 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.4 -2,-0.4 7,-1.0 -0.860 23.1-168.6 -99.2 129.7 44.0 20.5 35.9 19 34 A N E +JK 23 47C 24 28,-2.9 28,-1.5 -2,-0.5 4,-0.2 -0.964 31.8 171.0-125.8 132.3 46.1 23.3 34.3 20 37 A S S S- 0 0 33 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.393 97.5 -46.3-130.7 50.9 45.5 27.0 33.7 21 38 A G S S+ 0 0 69 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.258 140.3 30.0 103.2 -10.6 49.0 27.7 32.5 22 39 A Y S S- 0 0 135 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.927 102.2 -82.3-164.3 164.5 50.5 25.6 35.4 23 40 A H E +J 19 0C 40 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.696 52.5 157.0 -78.9 127.9 49.3 22.6 37.4 24 41 A F E + 0 0 30 -6,-2.4 2,-0.3 -2,-0.4 151,-0.2 0.577 58.1 5.7-126.4 -20.5 47.0 23.9 40.1 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.966 61.6-126.3-156.6 166.9 44.7 20.9 41.2 26 43 A G E +J 17 0C 2 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.478 25.4 176.6-108.8 180.0 44.2 17.2 40.6 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.930 24.9-113.6-170.6 175.2 41.1 15.3 39.6 28 45 A S E -JL 15 36C 2 8,-2.0 8,-2.0 -2,-0.3 2,-0.5 -0.991 21.4-129.3-128.2 134.5 39.8 11.8 38.7 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.684 25.0 177.6 -81.8 125.3 38.5 10.6 35.3 30 47 A I E - 0 0 21 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.594 68.2 -19.4-103.4 -11.3 35.0 8.9 35.9 31 48 A N E > S- L 0 34C 50 3,-1.1 3,-0.7 70,-0.1 -1,-0.4 -0.922 89.7 -70.1-177.1 170.7 34.3 8.1 32.2 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.663 129.5 28.1 -49.3 -26.8 35.5 9.3 28.7 33 50 A Q T 3 S+ 0 0 76 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.514 110.3 68.3-115.1 -10.8 33.8 12.7 29.0 34 51 A W E < -LM 31 89C 4 -3,-0.7 -4,-2.5 55,-0.2 -3,-1.1 -0.920 46.1-177.0-121.9 144.9 33.7 13.6 32.8 35 52 A V E -LM 29 88C 0 53,-2.1 53,-2.4 -2,-0.4 2,-0.4 -0.963 14.2-149.6-129.1 144.2 36.1 14.4 35.6 36 53 A V E +LM 28 87C 1 -8,-2.0 -8,-2.0 -2,-0.3 2,-0.3 -0.911 29.3 151.0-113.5 146.4 35.4 15.0 39.3 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.3 -2,-0.4 2,-0.3 -0.816 50.9 -67.8-153.0-169.6 37.6 17.4 41.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.3 47,-0.3 47,-0.3 -0.651 34.7-131.0 -91.5 148.7 37.0 19.6 44.4 39 56 A A G > S+ 0 0 4 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.844 105.3 65.0 -69.2 -29.1 34.8 22.7 44.1 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.540 93.1 64.1 -72.8 1.6 37.5 24.9 45.7 41 58 A b G < S+ 0 0 4 -3,-1.3 -1,-0.3 2,-0.0 -2,-0.2 0.397 76.5 136.4 -98.9 -0.0 39.6 24.2 42.7 42 59 A Y < + 0 0 128 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.225 18.6 148.6 -54.4 137.6 37.1 25.9 40.4 43 60 A K - 0 0 54 3,-0.0 2,-0.3 0, 0.0 3,-0.2 -0.923 44.8-116.6-159.5 160.3 38.5 28.3 37.7 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.789 94.8 39.6-102.7 147.3 37.4 29.2 34.3 45 62 A G S S+ 0 0 66 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.983 76.2 168.9 77.4 61.2 39.8 28.2 31.4 46 63 A I - 0 0 10 -3,-0.2 21,-2.1 21,-0.2 2,-0.4 -0.873 22.3-162.8-109.4 142.4 40.8 24.7 32.6 47 64 A Q E -KN 19 66C 51 -28,-1.5 -28,-2.9 -2,-0.4 2,-0.5 -0.986 16.1-143.9-122.8 129.8 42.7 22.3 30.4 48 65 A V E -KN 18 65C 0 17,-3.4 17,-2.6 -2,-0.4 2,-0.5 -0.836 9.9-157.9 -97.5 130.4 42.6 18.7 31.7 49 66 A R E -KN 17 64C 49 -32,-2.7 -32,-2.0 -2,-0.5 2,-0.3 -0.971 11.9-175.0-117.2 120.2 45.8 16.7 31.2 50 67 A L E +KN 16 63C 3 13,-2.9 13,-2.0 -2,-0.5 -34,-0.1 -0.715 62.0 33.4-107.7 156.7 45.4 12.9 31.3 51 69 A G S S+ 0 0 4 -36,-0.5 2,-0.2 -38,-0.3 10,-0.2 0.788 84.6 153.1 67.3 29.4 48.2 10.2 31.1 52 70 A E + 0 0 12 -37,-0.4 -42,-0.3 -3,-0.2 -1,-0.2 -0.643 22.1 150.7 -93.4 149.3 50.6 12.4 32.9 53 71 A D S S+ 0 0 15 1,-0.3 2,-0.9 4,-0.2 82,-0.4 0.328 79.2 30.9-138.7 -70.7 53.5 11.4 35.1 54 72 A N S > S- 0 0 27 3,-0.2 3,-1.3 80,-0.2 -1,-0.3 -0.833 73.8-159.3 -92.9 106.0 56.2 14.2 35.0 55 73 A I T 3 S+ 0 0 31 78,-2.3 -1,-0.1 -2,-0.9 79,-0.1 0.534 85.7 53.7 -66.5 -1.1 54.0 17.3 34.5 56 74 A N T 3 S+ 0 0 122 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.532 105.1 55.5-105.9 -10.7 57.0 19.3 33.1 57 75 A V S < S- 0 0 72 -3,-1.3 2,-0.7 76,-0.2 -4,-0.2 -0.977 76.6-133.8-124.7 126.9 58.1 16.9 30.3 58 76 A V + 0 0 106 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.715 28.0 176.2 -79.7 122.4 55.9 15.6 27.6 59 77 A E - 0 0 101 -2,-0.7 -1,-0.2 -5,-0.1 -7,-0.0 0.451 51.9 -98.2-102.1 -1.3 56.8 11.8 27.6 60 78 A G S S+ 0 0 59 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.038 103.9 82.7 112.3 -29.4 54.3 10.7 24.9 61 79 A N + 0 0 56 -10,-0.2 2,-0.2 2,-0.0 -3,-0.0 0.202 66.9 116.1 -98.0 22.9 51.3 9.3 26.8 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.568 42.2-168.2 -96.0 154.6 49.4 12.5 27.4 63 81 A Q E -N 50 0C 40 -13,-2.0 -13,-2.9 -2,-0.2 2,-0.5 -0.997 6.8-163.2-135.4 128.4 46.1 13.9 26.3 64 82 A F E +N 49 0C 72 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.982 17.5 170.4-115.6 119.4 45.3 17.6 26.9 65 83 A I E -N 48 0C 19 -17,-2.6 -17,-3.4 -2,-0.5 2,-0.2 -0.990 27.5-128.3-131.7 139.3 41.6 18.4 26.5 66 84 A S E -N 47 0C 54 -2,-0.4 25,-3.0 -19,-0.3 26,-0.3 -0.534 26.5-111.0 -86.4 156.8 39.9 21.6 27.4 67 85 A A E -O 90 0C 25 -21,-2.1 23,-0.3 23,-0.2 -21,-0.2 -0.658 20.8-168.1 -85.8 140.1 36.8 21.7 29.7 68 86 A S E S+ 0 0 64 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.747 74.5 1.7 -98.2 -29.9 33.5 22.7 28.0 69 87 A K E -O 89 0C 87 20,-1.0 20,-3.0 2,-0.0 -1,-0.4 -0.978 57.1-154.3-157.7 153.0 31.7 23.2 31.3 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.976 8.4-164.6-127.3 137.0 32.2 23.0 35.1 71 89 A I E -O 87 0C 33 16,-2.7 16,-2.2 -2,-0.4 2,-0.3 -0.985 5.1-159.9-126.5 115.4 29.4 22.3 37.6 72 90 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.744 41.8 -89.3 -93.0 141.8 30.1 23.1 41.2 73 91 A H > - 0 0 20 12,-2.2 3,-2.1 -2,-0.3 -1,-0.1 -0.261 35.5-123.9 -50.5 132.0 27.8 21.3 43.7 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.688 109.5 43.7 -52.2 -26.9 24.6 23.4 44.3 75 93 A S T 3 S+ 0 0 72 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.098 78.4 141.9-108.0 18.2 25.2 23.4 48.1 76 94 A Y < - 0 0 55 -3,-2.1 2,-0.5 9,-0.1 7,-0.2 -0.465 33.4-162.5 -65.5 132.8 29.0 24.1 48.1 77 95 A N B >> -P 82 0D 63 5,-1.9 4,-2.1 -2,-0.2 5,-0.5 -0.969 7.4-163.5-116.8 109.4 30.0 26.4 51.0 78 96 A S T 45S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.597 86.5 58.3 -74.3 -5.9 33.4 28.0 50.4 79 97 A N T 45S+ 0 0 149 3,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.870 122.6 18.7 -90.1 -43.5 33.6 29.0 54.0 80 98 A T T 45S- 0 0 70 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.668 97.1-130.5 -97.2 -20.0 33.3 25.6 55.7 81 99 A L T ><5 + 0 0 30 -4,-2.1 3,-0.8 1,-0.3 2,-0.3 0.710 49.2 161.1 73.0 30.2 34.2 23.7 52.5 82 100 A N B 3 < +P 77 0D 36 -5,-0.5 -5,-1.9 1,-0.3 -1,-0.3 -0.621 65.9 17.9 -78.2 138.2 31.1 21.5 53.0 83 101 A N T 3 S+ 0 0 17 -2,-0.3 2,-2.3 -7,-0.2 -1,-0.3 0.884 80.5 178.9 67.4 44.7 30.1 19.7 49.7 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.421 34.4 111.2 -78.1 74.4 33.5 20.4 48.2 85 103 A I + 0 0 0 -2,-2.3 -12,-2.2 -47,-0.3 2,-0.3 -0.999 36.1 175.5-147.1 148.5 33.0 18.7 44.8 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.6 -2,-0.3 2,-0.4 -0.977 19.5-138.2-150.0 155.1 32.7 19.7 41.2 87 105 A L E -MO 36 71C 0 -16,-2.2 -16,-2.7 -2,-0.3 2,-0.4 -0.907 12.5-159.8-116.9 142.9 32.3 17.9 37.8 88 106 A I E -MO 35 70C 0 -53,-2.4 -53,-2.1 -2,-0.4 2,-0.5 -0.989 6.9-149.0-125.8 131.0 34.1 19.0 34.6 89 107 A K E -MO 34 69C 41 -20,-3.0 -21,-2.7 -2,-0.4 -20,-1.0 -0.842 19.1-132.2-102.0 136.8 32.9 18.0 31.1 90 108 A L E - 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