==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-NOV-04 1Y3U . COMPND 2 MOLECULE: TRYPSIN, CATIONIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.FOKKENS,U.OBST,A.HEINE,F.DIEDERICH,G.KLEBE . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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 . 65 29.1 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 . 17 7.6 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 3 1 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 3 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 119.7 -3.6 9.2 10.9 2 17 A V B +A 171 0A 10 169,-3.3 169,-1.9 1,-0.2 123,-0.1 -0.859 360.0 5.1 -98.7 128.5 -7.2 10.3 11.1 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.5 167,-0.1 0.707 101.9 121.2 76.5 21.3 -8.4 13.2 8.9 4 19 A G - 0 0 36 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.083 54.8-113.1-100.0-158.0 -5.1 13.6 7.1 5 20 A Y E -B 137 0B 93 132,-2.4 132,-2.9 -3,-0.1 2,-0.4 -0.927 34.7 -86.1-137.6 160.6 -3.9 13.4 3.5 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.559 36.6-151.7 -68.4 118.4 -1.7 11.3 1.2 7 22 A a - 0 0 18 128,-2.2 -1,-0.2 -2,-0.4 129,-0.1 0.881 34.3-114.0 -61.4 -40.2 1.7 12.6 1.7 8 23 A G > - 0 0 26 127,-0.5 3,-1.9 4,-0.0 4,-0.3 0.132 48.2 -56.7 102.2 134.7 3.1 11.6 -1.7 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.159 117.8 -11.5 -53.6 124.4 5.9 9.0 -2.2 10 25 A N T 3 S+ 0 0 36 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.691 90.4 127.9 62.0 26.0 9.1 9.8 -0.3 11 26 A T S < S+ 0 0 81 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.621 75.9 48.3 -83.7 -9.8 8.0 13.3 0.6 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.7 1,-0.1 -1,-0.3 -0.725 73.4 173.5-125.7 76.8 8.8 12.5 4.2 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.590 70.8 57.4 -71.5 -11.9 12.3 11.0 3.8 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.6 88,-0.1 2,-0.3 0.437 81.4 109.1 -92.8 -3.5 13.1 10.6 7.5 15 30 A Q E < -J 28 0C 7 -3,-1.7 36,-0.5 13,-0.2 37,-0.3 -0.586 48.6-172.0 -78.5 133.6 10.0 8.5 8.2 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.1 -2,-0.3 2,-0.4 -0.857 18.3-139.2-120.9 158.5 10.6 4.8 9.0 17 32 A S E -JK 26 49C 0 32,-2.2 32,-2.9 -2,-0.3 2,-0.5 -0.985 13.6-144.0-112.8 128.4 8.4 1.8 9.5 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.7 -2,-0.4 7,-1.1 -0.862 26.4-169.5 -91.9 123.2 9.2 -0.7 12.2 19 34 A N E +JK 23 47C 15 28,-2.6 28,-2.9 -2,-0.5 4,-0.2 -0.949 33.4 165.9-125.8 131.6 8.4 -4.2 11.0 20 37 A S S S- 0 0 35 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.373 97.0 -48.7-129.4 46.2 8.1 -7.6 12.7 21 38 A G S S+ 0 0 73 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.428 139.6 33.5 96.3 -3.0 6.3 -9.3 9.9 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.2 0, 0.0 2,-0.4 -0.894 101.2 -87.2-171.7 155.6 3.9 -6.4 9.7 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.617 51.0 157.8 -70.0 130.2 4.1 -2.7 10.3 24 41 A F E + 0 0 31 -6,-2.7 2,-0.3 1,-0.4 151,-0.2 0.546 57.3 8.5-130.0 -14.1 3.6 -1.9 14.0 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.0 151,-0.1 -1,-0.4 -0.992 60.8-126.7-160.1 159.7 5.2 1.5 14.8 26 43 A G E +J 17 0C 1 151,-2.9 12,-0.3 -2,-0.3 2,-0.3 -0.435 25.4 173.6 -98.2 177.5 6.8 4.5 13.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.955 25.2-114.4-171.7 176.1 10.1 6.2 13.8 28 45 A S E -JL 15 36C 2 8,-1.9 8,-2.5 -2,-0.3 2,-0.5 -0.994 20.2-128.3-130.7 129.5 12.5 8.9 12.5 29 46 A L E + L 0 35C 0 -15,-2.6 74,-2.6 -2,-0.4 6,-0.2 -0.637 27.8 173.2 -74.4 121.0 15.9 8.7 11.0 30 47 A I - 0 0 20 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.652 68.4 -11.5-111.6 -14.2 18.3 11.0 12.9 31 48 A N S S- 0 0 55 3,-1.2 3,-0.4 70,-0.1 -1,-0.3 -0.896 90.7 -76.9-157.6-167.1 21.6 10.0 11.2 32 49 A S S S+ 0 0 41 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.689 127.7 29.5 -77.8 -7.5 22.6 7.1 9.0 33 50 A Q S S+ 0 0 57 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.452 109.4 69.3-125.0 1.9 22.8 4.5 11.8 34 51 A W E - M 0 89C 8 -3,-0.4 -4,-2.6 55,-0.2 -3,-1.2 -0.973 48.4-171.0-134.8 137.5 20.2 5.7 14.4 35 52 A V E -LM 29 88C 0 53,-2.8 53,-3.0 -2,-0.4 2,-0.4 -0.939 13.9-145.5-117.5 141.2 16.4 5.9 14.6 36 53 A V E +LM 28 87C 1 -8,-2.5 -8,-1.9 -2,-0.4 2,-0.2 -0.904 33.5 146.2-103.7 135.3 14.3 7.5 17.3 37 54 A S E - M 0 86C 0 49,-2.9 49,-2.4 -2,-0.4 2,-0.3 -0.723 49.9 -69.0-145.0-169.5 10.9 5.9 18.3 38 55 A A > - 0 0 0 -12,-0.3 3,-1.3 47,-0.3 47,-0.3 -0.700 32.6-129.1 -85.9 142.7 8.7 5.5 21.4 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.840 108.0 64.4 -57.7 -37.0 9.6 3.2 24.3 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.586 92.1 64.9 -73.7 -2.0 6.2 1.5 24.1 41 58 A b G < S+ 0 0 4 -3,-1.3 -1,-0.3 2,-0.0 -2,-0.2 0.455 76.0 131.2 -93.7 -2.1 7.2 0.3 20.6 42 59 A Y < + 0 0 130 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.288 22.2 135.5 -54.0 130.8 9.9 -1.9 22.0 43 60 A K - 0 0 60 -2,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.965 51.3-102.0-157.6 175.9 10.1 -5.5 20.9 44 61 A S S S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.665 96.6 40.0 -92.2 154.3 12.7 -8.0 19.8 45 62 A G S S+ 0 0 67 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.846 74.6 170.5 83.3 31.3 13.1 -8.9 16.1 46 63 A I - 0 0 9 -3,-0.3 21,-2.4 21,-0.1 2,-0.5 -0.673 18.7-167.0 -84.4 128.1 12.7 -5.4 14.6 47 64 A Q E -KN 19 66C 51 -28,-2.9 -28,-2.6 -2,-0.4 2,-0.5 -0.953 16.1-142.2-107.0 127.3 13.4 -4.7 11.0 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.7 -2,-0.5 2,-0.6 -0.783 11.5-157.7 -90.0 130.3 13.7 -1.1 10.1 49 66 A R E -KN 17 64C 51 -32,-2.9 -32,-2.2 -2,-0.5 3,-0.3 -0.952 12.3-174.7-115.9 113.5 12.2 -0.2 6.7 50 67 A L E + N 0 63C 2 13,-3.1 13,-2.1 -2,-0.6 -34,-0.1 -0.662 61.2 26.7-103.5 154.7 13.4 3.0 5.1 51 69 A G S S+ 0 0 5 -36,-0.5 -1,-0.2 -38,-0.3 2,-0.2 0.666 83.9 156.2 70.3 17.9 12.3 4.8 1.9 52 70 A E + 0 0 11 -37,-0.3 -42,-0.4 -3,-0.3 -1,-0.2 -0.455 23.2 152.0 -81.6 147.4 8.7 3.4 2.1 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.7 4,-0.2 -1,-0.2 0.389 81.4 32.8-123.6 -76.0 5.6 4.7 0.6 54 72 A N S > S- 0 0 25 80,-0.2 3,-0.8 1,-0.1 -1,-0.4 -0.752 71.5-164.1 -80.3 112.7 3.3 1.6 0.0 55 73 A I T 3 S+ 0 0 30 78,-2.3 -1,-0.1 -2,-0.7 79,-0.1 0.568 84.7 54.1 -77.9 -9.7 4.3 -0.7 2.9 56 74 A N T 3 S+ 0 0 111 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.483 106.4 52.7-100.5 -5.2 2.7 -3.7 1.2 57 75 A V S < S- 0 0 76 -3,-0.8 2,-0.8 76,-0.1 -4,-0.2 -0.991 77.2-125.9-132.6 138.7 4.5 -3.5 -2.2 58 76 A V + 0 0 117 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.735 41.0 160.1 -81.7 112.6 8.2 -3.3 -3.2 59 77 A E - 0 0 103 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.560 53.4 -90.8-112.4 -10.2 8.2 -0.2 -5.3 60 78 A G S S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.070 100.8 64.6 102.7 152.3 11.9 0.7 -5.3 61 79 A N S S+ 0 0 68 1,-0.3 2,-0.2 -2,-0.1 -9,-0.1 0.183 71.7 133.6 81.5 -3.1 13.9 3.0 -3.0 62 80 A E - 0 0 35 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.450 36.3-168.7 -73.7 145.1 13.2 0.8 0.0 63 81 A Q E -N 50 0C 39 -13,-2.1 -13,-3.1 -2,-0.2 2,-0.6 -0.988 4.7-161.3-129.2 127.2 16.0 -0.2 2.4 64 82 A F E +N 49 0C 86 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.950 17.3 170.7-109.2 120.3 15.4 -3.0 4.9 65 83 A I E -N 48 0C 15 -17,-2.7 -17,-3.2 -2,-0.6 2,-0.1 -0.988 28.6-126.5-135.0 124.9 17.9 -3.0 7.8 66 84 A S E -N 47 0C 70 -2,-0.4 25,-2.6 -19,-0.3 2,-0.4 -0.340 28.5-112.5 -63.1 147.0 17.7 -5.1 11.0 67 85 A A E -O 90 0C 26 -21,-2.4 23,-0.2 23,-0.2 -22,-0.1 -0.660 22.9-167.6 -72.2 130.5 18.0 -3.4 14.3 68 86 A S E S- 0 0 69 21,-2.8 2,-0.3 -2,-0.4 22,-0.2 0.781 72.7 -3.6 -87.3 -32.7 21.2 -4.3 16.1 69 87 A K E -O 89 0C 84 20,-1.3 20,-2.5 2,-0.0 2,-0.4 -0.976 57.0-152.1-155.4 150.5 20.1 -2.8 19.5 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.994 11.3-160.0-124.2 130.2 17.2 -1.0 20.9 71 89 A I E -O 87 0C 32 16,-3.3 16,-2.5 -2,-0.4 2,-0.2 -0.922 3.8-162.3-118.0 101.3 17.7 1.4 23.9 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.612 41.4 -92.1 -76.9 140.2 14.6 2.2 25.9 73 91 A H > - 0 0 24 12,-2.4 3,-2.1 10,-0.3 -1,-0.1 -0.327 35.0-131.2 -52.9 129.2 14.9 5.3 28.1 74 92 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.758 105.9 47.2 -56.0 -24.6 16.1 3.8 31.5 75 93 A S T 3 S+ 0 0 75 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.230 78.2 138.1-103.7 11.2 13.4 5.9 33.3 76 94 A Y < - 0 0 57 -3,-2.1 2,-0.6 9,-0.1 7,-0.2 -0.424 40.0-155.7 -57.4 130.8 10.6 5.0 31.0 77 95 A N > - 0 0 58 5,-2.0 4,-2.6 -2,-0.1 5,-0.5 -0.940 10.9-161.5-115.8 117.4 7.4 4.3 33.1 78 96 A S T 4 S+ 0 0 83 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.658 90.5 53.0 -74.6 -12.1 4.9 2.0 31.4 79 97 A N T 4 S+ 0 0 138 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.910 123.0 23.6 -84.4 -45.8 2.2 3.2 33.8 80 98 A T T 4 S- 0 0 70 2,-0.1 -2,-0.2 1,-0.0 77,-0.1 0.638 94.7-131.4 -95.7 -11.7 2.5 7.0 33.3 81 99 A L >< + 0 0 40 -4,-2.6 3,-0.9 1,-0.3 2,-0.2 0.545 51.6 155.6 69.7 14.7 4.1 6.9 29.8 82 100 A N T 3 + 0 0 33 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.3 -0.501 62.6 18.2 -69.0 138.5 6.7 9.3 31.0 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.888 77.5 177.2 63.8 43.8 10.0 9.2 29.1 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.559 35.4 114.4 -80.4 76.5 8.3 7.4 26.1 85 103 A I + 0 0 0 -2,-2.0 -12,-2.4 -47,-0.3 2,-0.3 -0.998 38.1 179.9-150.5 144.3 11.4 7.4 23.9 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.9 -2,-0.3 2,-0.4 -0.996 17.2-142.4-144.0 144.1 13.7 4.8 22.5 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.3 -2,-0.3 2,-0.5 -0.892 13.4-161.2-106.1 139.7 16.8 4.8 20.3 88 106 A I E -MO 35 70C 0 -53,-3.0 -53,-2.8 -2,-0.4 2,-0.5 -0.987 4.6-153.7-121.3 126.0 17.4 2.1 17.6 89 107 A K E -MO 34 69C 43 -20,-2.5 -21,-2.8 -2,-0.5 -20,-1.3 -0.859 18.8-130.8 -95.7 130.7 20.8 1.4 16.2 90 108 A L E - 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0 0 32 -88,-1.5 -72,-0.3 -2,-0.4 2,-0.1 -0.971 43.3-108.7-146.9 158.6 17.4 11.3 4.8 102 120 A S - 0 0 56 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.453 22.1-133.9 -89.2 160.9 17.7 12.3 8.4 103 121 A I - 0 0 15 -74,-2.6 2,-0.1 -89,-0.2 83,-0.1 -0.920 27.1-112.5-111.7 140.2 15.8 14.9 10.4 104 122 A S B -c 186 0B 70 81,-0.7 83,-2.8 -2,-0.4 -73,-0.1 -0.448 21.3-124.0 -72.6 144.6 17.5 17.4 12.7 105 123 A L - 0 0 46 81,-0.2 83,-0.1 -75,-0.1 -1,-0.1 -0.569 39.1-102.0 -78.1 145.5 17.1 17.4 16.4 106 124 A P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.291 17.1-156.6 -73.1 154.3 15.9 20.7 17.9 107 125 A T S S+ 0 0 127 1,-0.3 2,-0.3 106,-0.0 -2,-0.0 0.623 84.0 15.3 -99.3 -19.4 18.1 23.3 19.5 108 127 A S S S- 0 0 80 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.970 89.5 -92.8-147.2 163.4 15.2 24.7 21.5 109 128 A c - 0 0 60 -2,-0.3 2,-0.2 -3,-0.1 79,-0.0 -0.442 42.4-113.4 -75.2 145.5 11.6 23.7 22.4 110 129 A A - 0 0 28 -2,-0.1 2,-0.2 78,-0.1 -1,-0.1 -0.494 27.5-125.6 -84.2 150.4 8.7 24.8 20.2 111 130 A S > - 0 0 83 -2,-0.2 3,-1.8 1,-0.1 31,-0.3 -0.482 35.8 -80.5 -92.0 160.0 6.1 27.2 21.4 112 132 A A T 3 S+ 0 0 61 1,-0.2 31,-0.2 -2,-0.2 -1,-0.1 -0.325 116.8 32.0 -54.2 140.3 2.3 26.8 21.5 113 133 A G T 3 S+ 0 0 51 29,-3.2 -1,-0.2 1,-0.3 2,-0.2 0.311 80.9 141.4 88.4 -5.8 0.7 27.5 18.1 114 134 A T < - 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